22 Annual Summer Research Symposium - Duq

22nd Annual Summer Research Symposium Sponsored by

The Bayer School of Natural and Environmental Sciences

Duquesne University Undergraduate Research

Program

Keynote Address:

Lori Birder, Ph.D. Professor of Medicine

University of Pittsburgh

“From Bench to Bedside: The Changing Nature of Biomedical Research”

Friday, July 26, 2019 9:00 a.m. – 4:00 p.m. Power Center, Bayer Learning Center & Mellon Hall of Science Duquesne University

Welcome to the 2019 Summer Undergraduate Research Symposium!

It is a pleasure and privilege to welcome you to today’s 22nd Annual Summer Undergraduate Research Symposium at Duquesne University. Each year the number of student participants and the quality and breadth of the research presented at this symposium continue to grow. The abstracts in this year’s program highlight the remarkable quality of the student research that we will see and discuss at today’s symposium. In an era in which we hear persistent concerns regarding our nation’s ability to sustain global competitiveness and global pre-eminence in the STEM disciplines, events such as today’s conference should reassure all of us of the superb caliber of the scientific research and training that occurs on a daily basis in our colleges, universities and research centers. Today’s presentations reinforce our conviction and confidence that we are preparing an emerging cadre of future scientific leaders who will possess the creativity, motivation, and intellect to meet and solve the challenges that our society faces. On behalf of the faculty, students, and staff of the Bayer School and Duquesne University, I am pleased to offer my sincerest congratulations to each of the student researchers participating in today’s symposium and to convey our best wishes for continued success in your academic and professional careers! Sincerely,

Philip Reeder, Dean, Bayer School of Natural and Environmental Sciences Schedule: 9:00 AM Registration and Poster Set-Up Charles J. Dougherty Ballroom, Power Center

Continental Breakfast Rotunda, Bayer Learning Center 10:00 AM Opening Remarks and Keynote Address Wolfe Hall, Bayer Learning Center 11:00 AM Plenary Session (Student Presentations) Wolfe Hall, Bayer Learning Center 1:00 PM Picnic Lunch Mellon Hall Patio and Lawn

2 – 4:00 PM Poster Session Charles J. Dougherty Ballroom, Power Center Contents: Map…………………………………………………………………………………..………..…………………………..2 Welcome, Keynote Address, Plenary Session Schedule……………………………………………………………3 About Dr. Lori Birder………….………………………………………………………………………………………….4 Index of Authors and Posters………………………………………………………..…..……………………………..5 Abstracts………………………………………………………………………………….………………………………10 Colleges and Universities Represented……………………………………………………………………………….52 Instructions to Authors: Authors presenting posters should locate their abstract number in the index of this program and then find the poster board space marked with that number. Authors with even numbered poster assignments must be present from 2 p.m. to 3 p.m. to answer any questions. Authors with odd numbered posters must be present from 3 p.m. to 4 p.m. Authors presenting talks during the Plenary Session should report to Wolfe Lecture Hall no later than 9:15 a.m. A tech assistant will be available to download your PowerPoint presentation.

Poster Session: Charles J. Dougherty Ballroom (Facing Downtown Pittsburgh)

1 to 4 9 to 12

5 to 8 13 to 16

17 to 20

77 to 80

25 to 28

29 to 32

33 to 36

37 to 40

41 to 44

61 to 64

57 to 60

53 to 56

49 to 52

45 to 48

65 to 68

69 to 72

73 to 76

21 to 24

81 to 84

101 to 104

97 to 100

93 to 96

89 to 92

85 to 88

105 to 108

109 to 112

113 to 116

117 to 120

121 to 124

141 to 144

137 to 140

133 to 136

129 to 132

125 to 128

145 to 148

149 to 152

153 to 156

157 to 160

Facing PPG Paints Arena

161 to 164

165 to 168

169 to 172

173 to 176

_______________________________________________ 10 a.m. Opening Remarks, Dr. Philip Reeder, Dean, Bayer School of Natural and

Environmental Sciences

Keynote Address, Dr. Lori Birder Professor of Medicine, University of Pittsburgh “From Bench to Bedside: The Changing Nature of Biomedical Research.”

11:00 AM Student Presentations

Gabrielle Majetic An Agent-Based Model of Pain-Related Neural Activity in the Right Amygdala

Duquesne University Rachel Gongaware Gender Determines the Influence of Lewy body Disease on Genomic

Repair Protein Expression in Mice and Humans Grove City College

Chris Andersen Connecting Spatial Proteomics to Cancer Patient Outcomes University of Puget Sound

11:45 AM Short Break

Emily Krinos Organocatalytic Asymmetric Synthesis of Novel Nitrophosphines Westminster College Mairead Heiger The Delay-Time Distribution of δ Scuti Variable Stars


Kristen Roth Urban Gardening Techniques Employed by Phipps Conservatory’s

Homegrown Program to Maximize Food Security and Biodiversity Duquesne University Connor Apa Development of a laser-induced fluorescence platform for parallel

protein quantification with mass spectrometry studies Duquesne University

Session Moderator Dr. Thomas Montgomery, Assistant Professor,

Department of Chemistry and Biochemistry, Duquesne University

Plenary Session Schedule Wolfe Lecture Hall

Bayer Learning Center

Page 3

ABOUT LORI BIRDER, Ph.D.

Lori Birder, PhD is a Professor of Medicine and Pharmacology and Chemical Biology (with Tenure) at the University of Pittsburgh School of Medicine. Dr. Birder completed her PhD in Neuropharmacology at the University of Pittsburgh and a Postdoctoral Fellowship in Physiology at the University of North Carolina at Chapel Hill.

Dr. Birder’s research areas include lower urinary tract physiology and pharmacology with focus on urothelial function in the pathophysiology of a number of bladder disorders. She has published more than 175 peer-reviewed articles, book chapters and reviews. She has been continuously funded by the NIH for over 20 years- including an NIH MERIT award exploring the impact of aging and chronic stress in preclinical animal models and has collaborated with researchers from US and abroad.

Dr. Birder has organized/chaired a number of symposia and workshops on bladder and urothelial function including the International Consultation on Incontinence (ICI) Neural Control Committee. She is a member of several editorial boards and co-editor in chief for a specialty journal ‘Bladder’, has served as external advisor for several European urology initiatives and a member of a number of scientific societies including the Society for Neuroscience (SFN), Society for Urodynamics and Female Urology (SUFU), International Continence Society (ICS), and the International Association for the Study of Pain (IASP).

Index of Posters and Authors Name Poster # Page # Name Poster # Page #

5 *Oral Presentation

Abramson, Charles I. 65 26

Adke, Anisha 154 48

Aggarwal, Kunal 101 35

Agosto Rivera, José L. 65 26

Al Ghouleh, Imad 72 27

Al Zadjali, Al Muatasim 66, 136 26, 43

Aley, Paige 73, 83 28, 30

Ali, Lalah 24 15

Allen, Heather 151, 155 47, 48

Almusallam, Ghadah 160 49

Alvarez-Rios, Manuel 57 14

*Andersen, Chris 96 33

Anderson, PhD, Carl A. 119 39

Ankeny, Halie 126 41

Anna, Katie 144 45

*Apa, Connor 150, 163 47, 50

Araki, Stephanie 101 35

Armen,Jennifer M. 38 19

Arslan,Okan C. 65 26

Atherton, M. 151 47

Auron, Philip 108, 158 36, 49

Ayim Bey, Phylicia 59 24

Babyok, Olivia 155, 163 48, 50

Badenes, Carlos 20 14

Bahr, Lauren 157, 163 49, 50

Bai, Qing 148 46

Bakar, Sophia 42 20

Barmen, Mariah 72 27

Barratt-Boyes, Simon 56 23

Barton, Madison 80, 159, 163 29, 49, 50

Basdogan, Yasemin 76 28

Benmokhtar, PhD, Fatiha 18, 19, 34,

102 14, 18, 35

Benos, Panayiotis 91 32

Bertovich, Dylan 138, 163 44, 50

Bezanson, Rachel 85, 110 31, 37

Bhatia, Tarun N 16, 139, 145,

153 13, 44, 46, 48

Bhatt, Akshita K 131, 144, 146 42, 45, 46

Bloomfield, Aaron 13, 40, 125 13, 19, 41

Bogen, Matthew 134 43

Boyd, Jarrett 120 39

Bradley, A'Doriann 78, 81 29, 30

Brauckmann, Alyssa 67 26

Brody, Scott 127 41

Brown, Keyaira 107 36

Bruk, Liza 7 11

Brusatte, Stephen 66 26

Buckner, Ira 36 18

Bugarelli, Rebecca 147 46

Burton, Edward A. 148 46

Butler, MS, Erica 164 50

Calcagno, Jaime 108, 158 36, 49

Camara, Driss W. 135, 163 43, 50

Campbell, Kiersten 93 33

Cano-Rodriguez, Ruben 139 44

Caridi, Brandon 152 47

Carmona, Emely 103 35

Carrasquillo, Yarimar 154 48

Cascio, Michael 121, 141,

149, 152, 163 40, 45, 47, 50

Castellano, Elizabeth 152 47

Cava, Kacie 22 15

Cavanaugh, Jane E. 131, 144, 146 42, 45, 46

Cawley, Hannah 28, 105 16, 36

Cecil, Ryan 30 17

Chandren, Uma 59 24

Chen, Ming 37 19

Cheng, Cheng 47 21

Chennubhotla, Chakra 96 33

Chitiyo, Plaxedes 31 17

Choudhary, Om 96 33

Christenson, Cory 35 18

Christian, Bria 156, 163,173 48, 50,51

Cocozza, Lauren 121 40

Coffman, Sarah 6 11

Cook, Justin 29 17

Cook, Amy 28, 105 16, 36

Cooper, Vaugh 79 29

Copper, Gregory 65 26

Corcovilos, Theodore 116, 150 38, 47

Corry, Jacqueline 56 23

Coutinho, Naomi 127 41

Cowan, Michael J. 75 28

Crago, Madison 140, 163 44, 50

Crout, Richard J. 61 25

Cunningham, Onaje 82 30

Cupac, Tanja 23 15

Curran, Caitlyn 137, 163 44, 50

Dave, Kandarp 24, 143 15, 45

Davis, Mike 59 24

Day, Roger 97 34

Deal, Brooke 67, 68, 138,

157 26, 44, 49

Del Pino Herrera, Adriana 9 12

DeMarco, Brett A. 16, 139, 153 13, 44, 48



DeMartino, Anthony W. 82 30

Denk, Jordan 156 48

DiFrancesco, Mia 5 11

Dillard, Ashley 12 12

Donehue, David 51 22

Dorsett, Jailyn 77 29

Douglas, Madeline 51

Drennen, PhD, James K. 119 39

Dumm, Benjamin 145 46

Dyduch, Paul 49 22

Echard, Melissa 23 15

Eckhoff, Elizabeth A. 16, 145 13, 46

Edgar, Robert H. 29, 60, 63 17, 24, 25, 51

Elliott, PharmD, JP 164 50

Emerson, Kyle J. 135 43

Engquist, Leah 141, 163 45, 50

Erdogan, Remziye 90 32

Evans, Anton 156,173 48,51

Evans, Alexander 8 11

Evanseck, Jeffrey D. 2, 104, 128,

130 10, 35, 41, 42

Faeder, James 101 35

Falkenstein, Brian 4 10

Falkowski, Jake 13, 40 13, 19

Fatouros, Peter 76 28

Fedorchak, Morgan 7 11

Feldman, Gabrielle 98 34

Ferrara, PhD, Lyndsie 6 11

Ferris, Abigail 116 38

Figueroa, Michael 52 22

Fine, D. F. 139 44

Fitzmaurice, Kieran 71 27

Flage, Bethany 64 25

Flaherty, Patrick T. 131, 146, 148 42, 46

Fleming-Hogan, Tiana 117 39

Fleury, Grace 156 48

Forrester, Scott 128 41

Frederic, Wrebekah 13, 40 13, 19

Fuccello, Ashlynn 91 32

Furman, Samantha 96 33

Gadsby, Alyssa 18, 102 14, 35

Galson, Deborah 108, 158 36, 49

Gan, Kiley 156 48

Ganapathiraju, Madhavi K. 115 38

Garcia Cruz,Jackelyne 109 37

Gawalt, Ellen S. 38, 133 19, 43

Gentile, MD, Deborah 164 50

George, Andrew 151, 163 47, 50

Gibbs, Lauren 44 20

Gil, Louis 99 34

Giray, Tugrul 65 26

Gladwin, Mark 78, 81 29, 30

Gladysz, Gage 136, 163 43, 50

Glancey, Kathleen 42 20

Godshalk, Maeve 11 12

Goldschmidt, Benjamin 42 20

Gomez, H. 49 22

Gomez, David 142, 163 45, 50

Gomez-Flores, Axel 50 22

*Gongaware, Rachel 16, 145 13, 46

Gopalakrishnan, Vanathi 57 14

Gorelova, Anastasia 72 27

Gosh, Anita 117 39

Green, Kasey 54 23

Gregg, R. 49 22

Gregg, Austin 152, 163 47, 50

Grimason, Haley 61 25

Guido, Marisa 48 21

Gumireddy, Ashwini 36 18

Gupta, Mohit 146, 148 46

Habeger, Rebekah 58 24

Haig, Sarah Jane 77 29

Hanna, Marianne 73, 83 28, 30

Hao, Weier 12 12

Haus, Erin 95 33

Hazra, Rimi 64 25

Heckman, Rachel 74 28

*Heiger, Mairead 20 14

Hejnosz, Sarah 73, 83 28, 30

Helsel, Lindsey 7 11

Henderson, Hanna 124 40

Hernandez, Sara 10 12

Herneisey, Michele 161 50

Hoenig, Brandon 44, 62 20, 25

Hoffman, Caroline 80, 159 29, 49

Holbrook, Ethan 75 28

Hoover, Catherine 143, 163 45, 50

Hoyer, Reece 128 41

Hurley, Kira 27 16

Hyde, Vanesa 17 14

Imperatore, Joshua 118, 123, 124 39, 40

Ingram, Grace 15 13

Ishiki, Aaron 53 23

Islam, Farhana 153 48

Iuliucci, Robbie 98, 113, 126 34, 38, 41



Iviricu, Carlos 72 27

Jamrom, Jeremiah 114 38

Janecka, Jan E. 25, 66, 108,

136, 158 16, 26, 36, 43, 49

Janjic, Jelena M. 67, 68, 138,

157, 161 26, 44, 49, 50

Jarrett, Abigail 62 25 Jeganathar Kanmanji, Narthana

33 18

Jensen-Seamen,Michael I. 94, 160 33, 49

Johnstonbaugh, Hannah Z. 94 33

Joiner, Maia 66 26

Jubeck, Jordan 3 10

Kahler, David M. 42 20

Kahveci, Emine 160 49

Kanzelberger, Mira 128 41

Karlik, Brigham 87 31

Karunakaran, Kalyani B. 115 38

Keith, John 76 28

Kelleher, Bryan 123 40

Kelly, Jordan 13, 40 13, 19

Kence, Meral 65 26

Kessler, Colin 21 15

Kettenburg, Gewn 56 23

Khatri, Shania 56 23

Khazaee, Manoochehr 77 29

Kim, Wook 21, 23, 156,173 15, 48,51

King, Jonathan 109 37

King, William 11 12

Kingston, H. M. Skip 12, 70, 114 12, 27, 38

Kocsis, Tori 60 24

Koes,David R. 109 37

Kohl,Halea 17 14

Kolber, Benedict 136, 151,

154, 155, 163 43, 47, 48, 50

Kostka, Dennis 93 33

*Krinos, Emily 127, 129 41, 42

Krofcheck, Emma 85 31

Lackey, Patrick E. 132, 134 42, 43

Lampe, PhD,David 48 21

Landsittel, Douglas 50 22

Lapinsky, David 149 47

Lapp, Erica 147 46

Latawiec, Elisabeth 104 35

Latta, Steve 44, 62 20, 25

Leak, Rehana K. 16, 139, 145,

154 13, 44, 46, 48

Lee, Adrian 59 24

Lee, Sanghoon 69 27

Lee, Young Ji 88 31

Leu, PhD, Dr. Paul 26 16

Lim,Min S. 133 43

Little, Steven R. 54 23

Liu, Lu 67, 26

Liu, Bing 41, 138, 161 20, 44, 50

Liu, Luke 59 24

Lohr, PhD, Kelly M. 17 14

Loo, Suet Kee 69 27

Lopez-Rivera, Roberto 46 21

Lozada-Pérez, Jonathan 55 23

Lozano, Gabriela 115 38

Ludvico, Dr. Lisa 25, 27 16

Lugo-Martinez, Jose 52 22

Luk, Kelvin C. 145 46

MaCar, Dave 108, 158 36, 49

Maiden, Tom 59 24

*Majetic, Gabrielle 154, 163 48, 50

Makowski, Joseph 130 42

Malyk, Kaycie 125 41

Manickam, Devika S. 24, 143 15, 45

Manrique, C. 49 22

Marasita, Mary L. 61 25

Marshall, Pamela 27 16

Martin, Jordan 144, 163 45, 50

Mastropietro, Jamie 113 38

Matthews, Emily 39, 102 19, 35

May, Henry 152 47

Mazza, William 156 48

McCormick, Joseph 5, 117 11, 39

McDougal, Keefe 124, 140 40, 44

McKone, James 58, 84 24, 30

McNeil, Daniel W. 61 25

Meng, Wilson S. 38 19

Mihailescu,Mihaela-Rita 118, 123, 124, 132,

134, 140, 163

39, 40, 42, 43, 44, 50

Miller, Logan 114 38

Miller, Jared 45 21

Miner, Kristin M. 16 13

Miu, Evan 58 24

Modi, Priyesha 81 30

Modi, Raahi 94 33

Montgomery, Dr. Thomas 73, 83, 125,

127, 128, 129 28, 30, 41, 42

Moore, Caley 114 38

Morales,Natasha 147 46

Morphew, MS,Tricia 164 50

Morrow, Becky L. DVM 10 12



Moses, Aurelia 122 40

Mpourmpakis, Giannis 75 28

Munoz-Hofmann, Kathi 41 20

Myers, Madeline 117 39

Nardozzi, Dana 164 50

Negron, David 66 26

Neilan, Rachael 154 48

Ng, Carl A. 77 29

Nichols, Hannah 131 42

Nikiforov, Alexiy 14 13

Niyu, Harleigh 88 31

Nouraie,S. Medhi 103 35

Ofori-Acquah, Solomon 64 25

Okorie, Juliet 92 32

Okoroego, Samuel 26 16

Okular, Kara 42 20

O'Neill, Devin 1 10

Orr, Margaret 84 30

Osmanbeyoglu, Hatice Ulku 99 34

Pamerleau, Ian 37 19

Pamuku, Matt 12, 70 12, 27

Parker, Asia 34, 102 18, 35

Parker, R.S. 71 27

Parr, Zach 86 31

Parvatikar, Akash 96 33

Patel, Saloni 131 42

Patel, Sanjay R. 103 35

Patil, Rituja 84 30

Patterson, Cassandra 36 18

Patton-Vogt, Jana 11, 14, 23 12, 13, 15

Pereira,Kenzie 22 15

Perez Claudio, Eddie 65 26

Perkins, Morgan 63 25

Plasynski, Julia 108, 158 36, 49

Pollock, John A. 67, 68, 138,

157 26, 44, 49

Porter, Brady 44 20

Pressly, M.A. 71 27

Pros, Gabrielle 13, 40 13, 19

Pulugulla, Sree 108, 158 36, 49

Quain, Melanie 25 16

Raghu, Vineet 91 32

Rague, Andrea 137,142 44, 45

Rahman, Mazin 72 27

Ramirez, David 47 21

Ramsey, Joseph 55 23

Ransom, Nancy 62 25

Rao, Krithika 92 32

Rebel, Lauren 33 18

Recznik, Mark A. 104 35

Reddy, Amrita 115 38

Reid, Pamela 80, 159 29, 49

Reynolds, Laura 68 26

Richards, Emily 43 20

Richie, Helena 100 34

Rish, Adam 119 39

Rivera -Plata, Isabel 97 34

Rockovich, Andrew 35 18

Rodo, Edgar 2 10

Rodriguez-Curz, Yoselyn 65 26

Rohde, Jeffrey J. 128, 130 41, 42

Roman, Brynn 112 37

Ropelewski, Alexander 59 24

Rosch, Jason 79 29 Rosenzweig, Margaret Quinn

74 28

Roth, Talia 23 15

*Roth, Kristen 31 17

Ryan, Annie 51

Salazar,Maria 64 25 Sanquiche-Sanchez, Angel A. 32 17

Santos, Raziel 156,173 48,51

Sarbadhicary, Sumit 20 14

Saylor, Anna 147 46

Schottland, Seraina 146 46

Scribner, Michelle 79 29

Senathirajah, Yalini 57 14

Senthil, Keerthana 74 28

Setton, David 85 31

Seybert, David W. 45 21

Shaffer, John R. 61 25

Shelley, Sarah 66 26

Shine, Morgan 132 42

Shiva, Sruti 92 32

Shoemaker, J. 49 22

Simoneaux, Tankya 69 27

Sipko, Emily 89 32

Skinner, Brelan 14 13

Skomo, Alec 119 39

Slater, Tasia 106 36

Smoot, Waymond 102 35

Sorescu, Monica 1, 3 10

Sossong, MPH, Nicole 164 50 Sparacino-Watkins, Courtney

78, 81 29, 30

Spaulding, Michelle 66 26



Spirtes, Peter 55 23

Stetler, RA 16 13

Stevens, Andrea 138 44

Stolz, John 80, 159 29, 49

Straub, Hannah 21 15

Study, Britton 111 37

Sun, Bin 78, 81 29, 30

Sutton, Karli 15 13

Tanyeri, PhD, Melikhan 9, 13, 120 12, 13, 39

Taylor, Ethan 133 43

Taylor, Kimberly S. 148, 163 46, 50

Taylor, Lance 110 37

Teitelbaum,Taylor 70 27

Tejero, Jesus 82 30

Templeton, Sage 149, 163 47, 50

Then, McKenna 118 39

Tidgewall, PhD, Kevin 137, 142, 163 44, 45, 50

Tomcho, Kayce Alexandra 121, 141 40, 45

Triantafillou, Sofia 46 21

Trotta, Nicholaus 19, 102 14, 35

Tuite, Luke 59 24

Van Sprang,Angelina 48 21

Vee, Samantha 160, 163 49, 50

Viator, PhD, John A. 29, 60, 63 17, 24, 25, 51

Vilanova Cuevas, Brayan 79 29

Wagner,A. K. 139 44

Wallace, Sarah E. 147 46

Wang, Xia-song 69 27

Ward, Vanessa 161, 163 50

Weber, Hannah 38 19

Weiss, Jeremy 47 21

Wells, Michael 33 18

Wells, Harrington 65 26

Wenzinger, Zara 25 16

Wetzel, Stephanie J. 28, 105 16, 36

Weyant, Robert J. 61 25

Whitewood, Abigail 42 20

Wible, John R. 66 26

Widenhofer, Kayla 153, 163 48, 50

Williams, Essence 67 26

Williams, MPH, Paige 164 50

Wilson, Thomas 66 26

Woerpel, Keith 2 10

Woodley, Dr. Sarah 22, 106, 135,

163 15, 36, 43, 50

Wright, Thomas D. 146 46

Wu, Suyang 119 39

Yonet-Tanyeri, Nihan 54 23

Yuan, Daniel 91 32

Zhang, Beiming 47 21

Zhao, Wanzhu 143 45

Zhou, Jennifer 61 25

2019 Summer Undergraduate Research Symposium Abstract Index

Page 10

1 A Mössbauer Study of Barium Oxide Doped-Hematite Devin O’Neill and Monica Sorescu Department of Physics Duquesne University Barium oxide-doped hematite, xBaO*(1-x)α-Fe2O3 with molar concentrations x=0.1, 0.3, and 0.5 was prepared using high-energy ball milling for 0, 2, 4, 8, and 12 hours. The resulting Mössbauer spectra of nanoparticle systems were parametrized using NORMOS-90. At ball milling time (BMT) zero, concentrations produced a spectrum consisting of 1 sextet showing no substitution. For all concentrations, a doublet subspectrum emerges from the initial sextet as the BMT increases starting around BMT=2 hours. Thus indicating substitution of Fe3+ into the BaO lattice. Fits had 2 sextets except for 0-hour BMT for each molar concentration. Additional sextets indicate Ba was substituted into the Fe2O3 lattice. Ba substitution is governed by the differing ionic radii of Ba2+(149 pm) and Fe3+(69 pm). Fe3+ has nearly half the ionic radius of Ba2+ meaning substitution of Ba2+ into Fe2O3 is more present than the reverse, indicating the solid solution has high mutual solubility.

2 Ground-State Arene Shielding and Guiding Model of Stereochemical Prediction in Carbohydrate Chemistry Rodo, Edgar; Woerpel, Keith1; Evanseck, Jeffrey D. New York University, New York City, NY 100031 Center for Computational Chemistry and Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA 15282

Current stereochemical models for nucleophilic addition reactions of carbonyl compounds are not infallible when extended to reactions of oxocarbenium ions in carbohydrate chemistry. A conformational analysis of the oxocarbenium ions derived from 2-deoxyribosyl acetate with 4-benzyloxy methyl (CH2OBn) and either 3-benzyloxy (OBn) or 3-methyl substituents was conducted to compare to the striking reversal of stereochemistry observed by experiment. PM6 with dispersion was used to sample conformational space, where M06-2x/jul-cc-pvDz was used to refine the predicted minima. The computed lowest energy conformation positioned the arenes to shield nucleophilic attack in agreement with experiment, where the nucleophile adds to the same face as the alkoxy substituent at C-3. The reversal of selectivity when the 3-alkoxy group is replaced with a methyl group is positioned to guide nucleophilic trajectories. Arene shielding and guiding model predicts stereoselectivities that has the potential to be generalized to extend biochemical knowledge and generate new pharmaceutical drugs.

3 A Mössbauer Study of Neodymium(III) oxide-doped Hematite Jubeck, Jordan and Sorescu, Monica Department of Physics Duquesne University Using IGOR Pro the Mössbauer spectra of Neodymium(III)

oxide-doped Hematite (x𝑁𝑑2𝑂3 ∗ (1 − 𝑥)-𝐹𝑒2𝑂3) were fitted. Spectra were taken at 3 molar concentrations x=0.1, 0.3, 0.5 and each concentration was ball milled taking data at 0,2,4,8, and 12 hours. The 0-hour spectra containing only hematite were easily fitted with a single sextet. After two hours of milling with the Neodymium(III) oxide doublets were present and had to be added to all further fits. For x = 0.5 BMT = 2, 4 hours the doublet was the only addition required to make the fit. All other fits (x=0.1 BMT=2,4,8,12; x=0.3 BMT=2,4,8,12; x=0.5 BMT=8,12 hours) required the addition of a second sextet in order to properly fit the experimental data. The Magnetic Hyperfine Fields of the sextets and Doublet abundance for each molar concentration were plotted against the Ball Milling Time in order to further analyze the trends.

4 Increasing Pathologist Concordance for High Risk Benign Breast Lesions Using Shape Analysis Falkenstein, Brian Computational and Systems Biology University of Pittsburgh Pathologist discordance, when multiple pathologists disagree on the diagnoses of a patient, occurs at significantly high rates for high risk benign breast lesions. The goal of this study is to utilize robust computer vision methods of spatial analysis on hematoxylin and eosin stained breast tissue slides to aid pathologists in making consistent and accurate diagnoses by identifying distinguishing histological and cytological features in the slide images. Using human perception motivated measurements derived from the medial axis transform, a geometric transformation, we quantify the shape of different biological structures present in the slide images, a crucial feature for diagnoses. The images can then be given a label, indicating the potential danger of the lesion in the image. More accurate and consistent diagnoses of non-invasive breast lesions leads to better care for those with dangerous lesions, and avoidance of over-treatment for those with benign tumors.


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5 Analysis of Development-Associated Genome Segregation for a Filamentous Bacterium DiFrancesco, Mia; McCormick, Joseph Department of Biological Sciences Duquesne University Streptomyces coelicolor is a filamentous, sporulating, nonpathogenic bacterium that is frequently used as a model organism for the study of prokaryotic cell biology. Previously, two genes that encode putative DNA translocases in S. coelicolor (ftsK and hfkA) were deleted and found to be involved in development-associated chromosome segregation. The goal of this study was to delete another homolog of ftsK, SCO5734, encoding a putative ATP/GTP-binding protein. SCO5734 is potentially part of a type VII secretion system but may play a role in chromosome segregation as well. Mutants of SCO5734 were isolated and will be examined for segregation defects via fluorescence microscopy. To isolate the mutants, PCR-directed recombineering was used to construct an insertion-deletion mutation for SCO5734 in a cosmid in E. coli. The mutant cosmid was introduced by conjugation into S. coelicolor, and double homologous recombination enabled the isolation of the mutant. The mutation was verified by diagnostic PCR.

6 Using Online Learning and Gamification to Enhance Reasoning Skills

Coffman, Sarah and Ferrara, Lyndsie, Ph.D. Forensic Science and Law Program

Duquesne University

The goal of this research was to enhance students’ reasoning skills using online content and gameplay. Online modules focused on inductive, deductive, and abductive reasoning inclusive of the corresponding modes of reasoning were developed. Modules were equipped with videos, definitions, and activities to provide diversified means for students to grasp the content. Additionally, a modified card-based version of Clue® was created. The modules combined with the game were implemented in a flipped-classroom setting where students completed the online modules and then applied their knowledge while playing the game. During gameplay, students completed a worksheet to identify reasoning processes. Analysis of the online modules included a comparison of pre-test versus post-test scores. While analysis of the game included a content analysis of the worksheet answers and comparisons of those who did and did not complete the online modules. This research demonstrates how online learning and gamification can enhance reasoning skills.

7 Polymeric Microsphere Fabrication for the Controlled Release of Therapeutics Helsel, Lindsey; Bruk, Liza; Fedorchak, Morgan Department of Bioengineering University of Pittsburgh Degradable polymeric microspheres (MS) were fabricated to encapsulate therapeutics, brimonidine tartrate (BT) and mesenchymal stem cell-conditioned media (MSC-CM), with an interest in the controlled release drug delivery for the treatment of glaucoma and tympanic membrane perforations. CM MS and BT MS were fabricated using poly(lactic-co-glycolic acid) using both single and double emulsion techniques. Microspheres were suspended in phosphate buffered saline and rotated at 37°C, with drug release samples taken over the course of 2-4 weeks until MS degraded. Spectrophotometric analysis of the total protein concentration in the CM MS and BT MS releasates showed a stable plateau release preceded by a burst of drug release. Scratch assays were performed in vitro to determine the wound healing potential of human dermal keratinocytes in the presence of MSC-CM. ImageJ analysis of images taken at 6, 12, and 24 hours indicated the presence of MSC-CM caused an increase in wound closure.

8 A Microfluidic Device for Real-Time Viscosity Measurement of Aqueous Newtonian Fluids Alexander Evans Duquesne University Here, we describe a microfluidic method which determines the viscosity of an aqueous solution that changes over time. The microfluidic device features a water-in-oil (W/O) droplet generator based on a flow focusing geometry. The droplet breakup process depends on a number of factors including the viscosity of the aqueous phase, and the flow rates of the oil and water. The viscosity of the solution is determined through an empirical relationship between the average droplet length and droplet viscosity. As a proof of concept, we determined the viscosity of glycerol/water solutions. While this method enables real-time viscosity measurements of aqueous Newtonian fluids, it has the potential to be implemented towards non-Newtonian fluids, such as blood.


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9 A Microfluidic Platform for High-Throughput Screening of Aquaporin Performance Del Pino Herrera, Adriana; Tanyeri, Melikhan Ph.D Rangos School of Health Sciences, Deparment of Engineering Duquesne University Aquaporins are integral membrane proteins that control water transport through cell membranes. They play an important role in water exchange within the kidney and gut cells. Here, we describe a novel microfluidic method to evaluate and screen for aquaporin water exchange in mammalian and yeast cells. A microfluidic device was designed and fabricated for the encapsulation of single mammalian and yeast cells in micron-sized droplets. Chinese Hamster Ovarian (CHO) cells were used which express AQP1 (aquaporin-1) homologous to human kidney aquaporins. Initially, the cells were cultivated and exposed to different osmotic shocks to study the water exchange performance of aquaporins. Our microfluidic platform has the potential to screen for and isolate cells with best aquaporin functionality for a number of applications in bioengineering.

10 Ocular Microbiomes of Young Kittens with Severe Ocular Infections and Clinically Unaffected Adult Cats from the Same Population Hernández, Sara; Morrow, Becky L., DVM President and Medical Director, Frankie's Friends Cat Rescue Assistant Professor, Dept. of Biological Sciences Duquesne University Upper Respiratory Infections (URIs) are very common in cats and are easily transmitted. Common signs of respiratory infections include nasal discharge, ocular discharge, conjunctivitis, and lethargy, with some cats experiencing more severe ocular manifestations that can result in loss of vision and globe rupture. The purpose of this study was to identify the type and relative abundance of all bacterial genera present in eye secretions taken from a group of kittens with upper respiratory infections, including severe ocular disease, and the clinically unaffected adult cats from the colony. DNA and RNA were extracted from ocular secretions and PCR was performed with universal bacterial primers, PCR for Feline Herpesvirus type-1 (FHV-1), and RT-qPCR for Feline Calicivirus. DNA was sent for Next Generation Sequencing (NGS) and results evaluated using QIIME, UCLUST algorithm, and Greengenes v. 13.8 database. Results are pending.

11 The role of GPC1 in antifungal drug susceptibility in Candida albicans Godshalk, Maeve; King, William; Patton-Vogt, Jana. Department of Biological Sciences Duquesne University. Candida albicans is an opportunistic, pathogenic fungus found in the human body. It is the cause of numerous fungal infections such as oral thrush, sepsis, and vaginal yeast infections. Antifungal drugs are used as treatment for these diseases, and some target the cellular membrane. Phospholipids are major components of the cellular membrane. Phosphatidylcholine (PC) is an abundant phospholipid in membranes and is synthesized primarily by two well defined metabolic pathways. Gpc1 is an acyltransferase involved in a new pathway for PC biosynthesis and PC remodeling. Remodeling is the process of removing fatty acids from phospholipids and replacing them with new fatty acid species. These changes can potentially impact lipid and membrane properties. We hypothesize that Gpc1 activity may impact antifungal drug susceptibility. To examine this, we examined growth and GPC1 expression

upon treatment of wild type and gpc1/ strains with antifungal agents.

12 Quantification of Organic Pollutants in Commercial Dietary Supplements Using GC-QQQ and LC-QQQ Dillard, Ashley; Hao, Weier; Pamuku, Matt; Kingston, H. M. Skip Department of Chemistry and Biochemistry Duquesne University Organic pollutants are toxic chemicals that have adverse effects on human health. Dietary supplements (DS) consisting of botanical materials have been found to contain organic pollutants. In this study, a method was developed to quantify glyphosate in dietary supplements using LC-QQQ. Different ionization sources and extraction techniques were investigated to optimize the method. Additionally, 21 persistent organic pollutants, including polycyclic aromatic hydrocarbons and organochlorine pesticides were quantified in 12 dietary supplement samples using GC-QQQ. Within these DS, some of the analytes had a concentration as high as 26.0 ng/g which would make the daily intake of this compound 71.8 ng/day. Quantification was accomplished using isotope dilution mass spectrometry (IDMS). By adding isotopically enriched forms of the analytes into the sample, the isotope ratios were measured. The results from IDMS were compared to calibration curves. IDMS was demonstrated to increase accuracy and precision especially at lower measured concentrations. The development and application of these methods is important to further identify and quantify the presence of organic pollutants in dietary supplements.


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13 The varying color and structure of a Nickel MAP-ligand complex with different solvent effects Falkowski, Jake; Kelly Jordan; Pros, Gabby; Frederic, Wrebekah; Bloomfield, Aaron Department of Chemistry and Biochemistry Duquesne University Transition metal catalysis is important to organic chemistry. Current catalysts often involve rare and expensive earth metals. Nickel shows potential as an affordable alternative but is complicated to study because it is more reactive in nature compared to platinum and palladium. Bifunctional ligands such as Monoprotic Aminophosphines (MAPs) show promise for controlling nickel. Before testing for catalytic activity, the stability and reactivity should be addressed. Therefore, a nickel-MAP ligand complex was synthesized, tBu_1C_1H_NiCl2. The reactivity of this complex was tested in multiple pure and mixed solvent settings, yielding varying colored solutions, potentially corresponding to new nickel complexes with varying coordination geometry. The most promising result could have observed an isopropoxide binding to the nickel, which would yield a complex suitable for transfer hydrogenation catalysis of alcohols and ketones. Other results may lead to a way to purify the synthesized complex in solution, making tBu_1C_1H_NiCl2 more stable for catalysis.

14 The Effect of Stress Conditions and Membrane Perturbations on GPC1 Expression in Saccharomyces cerevisiae Brelan Skinner, Alexiy Nikiforov, and Jana Patton-Vogt. Dept. of Biological Sciences Duquesne University Phospholipids are major components of cellular membranes. The chemical structure of individual phospholipids, such as their fatty acid composition, determines their biophysical properties. Phosphatidylcholine (PC), an abundant phospholipid in cellular membranes, is synthesized primarily by two well defined metabolic pathways. Our laboratory characterized an acyltransferase, Gpc1, involved in a novel pathway for PC biosynthesis and remodeling. Remodeling refers to the removal of one or more fatty acyl chains of the phospholipid and replacement with different fatty acyl species. These changes can alter a lipid’s biophysical properties and the membrane in which they are embedded. We hypothesize that Gpc1 activity may impact the ability of cells to survive stressful conditions, including antifungal drugs that target membrane function. To examine this, growth and GPC1 expression were monitored in wild type

and gpc1 mutant strains as a function of various membrane stressors.

15 Development of a 2-color TIRFM Setup for Single Molecule Imaging and Comparison of Two Surface Immobilization Methods Ingram, Grace; Sutton, Karli; Tanyeri, Melikhan Ph.D Rangos School of Health Sciences, Department of Engineering Duquesne University

Total internal reflection fluorescence microscopy (TIRFM) is a widely used method in molecular and cell biology that restricts the excitation of fluorophores to a small region (~200nm) above a substrate, thereby minimizing background fluorescence, increasing the signal-to-noise ratio, and improving the resolution. Here, we report the development of an in-house, 2-color TIRFM setup for imaging single molecules immobilized on a glass substrate. The setup is based on an inverted research microscope, a diode-pumped solid state laser emitting at 532nm and a Helium-Neon laser emitting at 633nm. The fluorescence emission is captured using a 100x oil-immersion objective lens and a sCMOS camera at 95% QE. To demonstrate the utility of our setup, we imaged single Streptravidin-Cy3 (SA-Cy3) molecules immobilized on a coverslip. We further investigated the effects of surface immobilization methods, and the buffer conditions to enhance the performance of the single molecule localization assays.

16 Gender Determines the Influence of Lewy body Disease on Genomic Repair Protein Expression in Mice and Humans Gongaware, Rachel N; Miner, Kristin M; Bhatia, Tarun N; DeMarco, Brett A; Eckhoff, Elizabeth A; Stetler, RA; Leak, Rehana K. Graduate School of Pharmaceutical Sciences Duquesne University Lewy body disorders such as Parkinson’s disease are characterized by fibrillar aggregations of the protein α-synuclein. α-synuclein can enter the nucleus when oxidized and elicit breaks in DNA. However, the specific relationship between alpha-synucleinopathy and DNA repair systems is unknown. The present study demonstrates that expression of the DNA repair/redox enzyme apurinic/apyrimidinic endonuclease-1 (APE1) is lowered in key limbic structures of male animals infused in the olfactory bulb with preformed alpha-synuclein fibrils, but increased in females. Similar patterns were observed in male versus female human subjects with clinical Lewy body disease. Lentivirus-mediated knockdown or pharmacological inhibition of APE1 in primary neuron cultures increased Lewy-like pathology in vitro. These findings reveal a statistically significant interaction between gender and Lewy body disease in APE1 expression, which may contribute to the 2-3 fold higher risk of Lewy body disease in men.


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17 Influences of the microbiome on tau-mediated neurodegeneration in Drosophila melanogaster Hyde, Vanesa*, Kohl, Halea*, and Lohr, Kelly M., PhD *Authors contributed equally to the work Department of Biology Washington & Jefferson College Microtubule-associated protein tau deposition is a hallmark pathology of neurodegenerative diseases known as tauopathies, including Alzheimer’s disease, frontotemporal dementia, and chronic traumatic encephalopathy. Most tauopathies do not have a single genetic cause, but instead some combination of genetic and environmental factors contribute to disease. Recently, the gut microbiome has emerged as a potential modifier of brain function in human, rodent, and invertebrate models. We show that Drosophila expressing human tau in neurons have a progressive deficit in fecal deposition and an enhancement in innate immune system activation. Further, tau-expressing flies grown with a limited microbiome show enhanced neurodegenerative outcomes. Ongoing studies are using 16S rDNA analysis to define the typical microbiome composition in tau-expressing and control flies. These data suggest that tau-expressing flies have an innate deficit in gut function and that manipulation of the gut microbiome is capable of altering neuronal health in the human tauopathy Drosophila model.

18 Probing for high momentum protons in 4He Gadsby, Alyssa; Benmokhtar, Fatiha Physics Department Duquesne University Thomas Jefferson National Accelerator Facility (JLAB), in Virginia, employs a continuous electron beam, within Hall A, which was targeted at Helium-4. The goal of the experiment is to study proton momentum distributions inside this nucleus. This is possible through the study of the missing energy spectrum versus missing momentum of the 4He(e,e’p)X reaction. My work was on data analysis and the extraction of the missing energy spectra after background subtraction. The cleaning of the spectra was done by the study the Physics acceptance that takes into account the geometrical phase-pace and target length reconstruction as well as spectrometer momentum resolution. In addition, coincidence events were validated by selecting a time window of 20 ns for the difference of the arrival time of electrons and protons. Cross section results were then compared to relativistic calculations and showed that some of the strength in the cross section is not accounted for.

19 SIMULATION OF THE RICH Detector Author: Trotta, Nicholaus and Dr. Benmokhtar, Fatiha Department of Physics Duquesne University The Ring-imaging Cherenkov Detector (RICH) located in Hall-B at Jefferson Lab is used to detect charged subatomic particles such as pions and kaons that will help understand the structure of the nucleon. One full RICH module is functional in the CLAS12 detector, and a second is under construction. RICH is equipped with an aerogel radiator, multi-anode photomultipliers and a set of focusing planar and spherical mirrors. My work was on the aerogel and the photo-multiplier tubes. Aerogel is a dielectric material made up of silica and residues of metal oxides. Placing a beam of charged pions at 6 GeV behind the aerogel will produce Cherenkov radiation in the UV to the visible range. Photomultiplier tubes, PMTs, are divided into 64 different channels which will detect the radiation. I will be presenting my work on the simulation of the aerogel and Cherenkov radiation while making a parallel study of the PMTs.

20 The Delay-Time Distribution of δ Scuti Variable Stars Heiger, Mairead; Sarbadhicary, Sumit; Badenes, Carlos Pittsburgh Particle Physics, Astrophysics and Cosmology Center (PITT PACC) University of Pittsburgh δ Scuti variables are a class of intrinsically variable stars used to measure intra- and extra-galactic distances. They are also a valuable tool for asteroseismology and studying stellar interiors. In this era of large stellar population surveys, one tool available to study δ Scuti and other stellar objects is the delay-time distribution (DTD). The DTD is the hypothetical rate of occurrence for an object versus time since a brief burst of star formation—it determines how many objects appear per year in a stellar population of a given age. We have calculated the DTD of δ Scuti variables in the Large Magellanic Cloud, and, coupled with comparisons to stellar models, the DTD can help us to constrain the progenitors of δ Scuti and measure their formation timescale. We will also use the DTD to calculate the lifetimes of δ Scuti variables, which can provide insight into their instability strip-crossing timescale.


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21 Real time Quantification of Cyclic-di-GMP in wsp Mutants by a Fluorescence Reporter Straub, Hannah; Kessler, Collin; and Kim, Wook Duquesne University Biology Department Biofilms are extremely resistant to chemical intervention, and present tremendous medical and environmental challenges. Bacteria produce a universal secondary messenger molecule called cyclic-di-GMP (CdG), which acts as a key activator of biofilm production. Although the mechanisms of CdG-induced biofilm production are well understood, we know relatively little about how CdG-production itself is systematically regulated through dozens of independent machineries. We have recently developed a unique experimental system which naturally captures mutations in many genes that are all predicted to affect CdG-production. To confirm these predictions, we focus on the wsp signal transduction system to measure the real time activity of a CdG-responsive fluorescence reporter in naturally-derived wsp mutants. Successfully quantifying CdG in the wsp mutants will allows us to reliably probe CdG-levels in out large library of mutants to uncover new regulatory mechanisms that underpin CdG production.

22 Testing Non-invasive Methods for Inducing Salamander Skin Secretions Kacie Cava, Kenzie Pereira, and Dr. Sarah Woodley Department of Biological Sciences Duquesne University Amphibians secrete a repertoire of compounds from their skin including peptides. In some wildlife, antimicrobial peptides protect individuals from developing disease. To study the antimicrobial properties of amphibian skin peptides and their role in mitigating disease, methods for inducing skin secretions must be developed to collect sufficient peptide concentrations for their use in research. This research aims to test non-invasive methods for inducing skin secretions in salamander species Desmognathus ochrophaeus and Notophthalmus viridescens. In the field, salamanders were submerged in liquid collection buffer with and without pharmacological agents. As an additional treatment, a subset of animals was handled to manually stimulate skin secretions. After a series of processing steps, micro-BCA assays were used to quantify and compare peptide recovery from each treatment group. For both salamander species, the use of pharmalogical agents or handling did not increase peptide recovery compared to collection buffer alone.

23 Development of an experimental system to study interactions between Candida albicans and the human skin microflora Roth, Talia; Cupac, Tanja; Echard, Melissa; Patton-Vogt, Jana; Kim, Wook Department of Biological Sciences Duquesne University Candida albicans (Ca) is an opportunistic fungal pathogen that causes diverse skin infections across the human body. Ca is thought to be present in low amounts on the skin and generally harmless, but infects the skin when their frequency increases. The human body is naturally colonized by benign microorganisms that limit the growth of pathogens. We hypothesize that the normal skin microflora outcompete Ca to prevent its colonization. We focus on three dominant fungus and bacteria of the human skin (HSM) to develop a model system to explore interactions with Ca. We first confirm that Ca is able to grow on a medium that is formulated to support the growth of HSM. Next, we test the reported antagonistic properties of coconut oil on Ca to develop a new medium to select against its growth. These efforts are necessary to enumerate the impact of HSM on Ca in future co-culture studies.

24 Characterization of the SIM-A9 cell line as a model of activated microglia in the context of chronic neuropathic pain Ali, Lalah; Dave, Kandarp; and S Manickam, Devika Graduate School of Pharmaceutical Sciences, School of Pharmacy Duquesne University It is known that activated microglia express increased levels of brain-derived neurotrophic factor (BDNF), a key signaling molecules that drives pain hypersensitivity in chronic neuropathic pain (CNP). The purpose of this project is to characterize SIM-A9 cell line as a model of activated microglia that can be used in further experiments to test a novel siRNA nanoparticle therapy that decreases BDNF expression. The chosen SIM-A9 cell line closely resembles primary microglia and remains to be characterized in the context of CNP. Three proteins were characterized to determine if the SIM-A9 cell line can be a valid microglia model: BDNF, microglial marker Iba-1, and the purinergic receptor, P2X4R. Western Blot and In Cell Western techniques were used to determine the expression of these proteins. Both techniques successfully showed expression of all three proteins, verifying the cells have microglial characteristics and can be used for screening nanoparticle therapeutics to decrease BDNF expression.


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25 Genetic diversity of white-tailed deer in southwestern Pennsylvania and applications for wildlife forensics Wenzinger, Zara1, Quain, Melanie2,3, Ludvico, Lisa1, Janecka, Jan E2,3. [1] Forensic Science and Law, Duquesne University [2] Center for Environmental Research and Education [3] Department of Biological Sciences, Duquesne University Overharvesting of white-tailed deer (Odocoileus virginianus) and habitat degradation in the 19th and early 20th centuries led to extirpation from much of the eastern U.S. This prompted hunters and wildlife managers to implement harvesting restrictions, habitat recovery, and translocations from other areas. Today, this species is the most abundant large mammal in North America. Poaching possesses a threat to local populations and legal hunting, which is important for population management and generating revenue for wildlife. Our goal was to characterize diversity of white-tailed deer in southwestern Pennsylvania and update the probability of identity and exclusion for a forensics panel. Samples provided by the PA Game Commission were genotyped for 14 microsatellite loci using the ABI 3130 to estimate genetic diversity and examine population structure. We are exploring the possibility of assigning the geographic origin of white-tailed deer samples obtained during investigations by the PGC to assist in prosecuting poaching.

26 Making front-ends for obtaining solar cell parameters Okoroego Samuel (Computer Science) Research at: Laboratory for Advanced Materials at Pittsburgh (LAMP), Swanson School of Engineering, Department of Industrial Engineering, University of Pittsburgh Supervisor: Dr Paul Leu, Ph.D, Associate Professor University of Pittsburgh Solar power is the conversion of energy from sunlight into electricity. Photovoltaic cells convert light into an electric current using the photovoltaic effect. The aim of my research is to write a web program that will successfully read a text file containing a table of current and voltage values, plot the data, and determine the following parameters from the curve: open circuit voltage, short-circuit current density, fill factor, and power conversion efficiency. These parameters define the performance of a solar cell. This web program can be used as an educational tool for teaching people about solar cell performance as well as a characterization tool for analyzing experimental data.

27 Killer Jeans: Biological Fluid Beading on Jeans Hurley, Kira, Dr. Ludvico, Lisa, Dr. Marshall, Pamela Forensic Science & Law Duquesne University This research evolved from an ongoing study that observed biological fluid beading on black jeans. To understand why biological fluid was beading on jeans, variables were examined: spandex percentage (0%, 1%, 2%, 4%), blue vs black, and washed vs unwashed. Upon depositing whole blood on the samples, beading occurred on 2% spandex unwashed black jeans, and skeletonization occurred on 2% and 4% spandex washed black jeans. DNA was extracted from the dried blood samples with QIAamp® DNA Mini Kit using DNA Purification from Blood or Body Fluids (Spin Protocol). The extracted DNA was quantified using Life Technologies QuantifilerTM on a QuantStudio 5 and amplified with Life Technologies GlobalfilerTM and genotyped with a Life Technologies 3130 Genetic Analyzer. Preliminary results suggested higher spandex percentage in black jeans leads to less whole blood absorption and diminished DNA recovery. Also, by washing black jeans the beading on the surface is eliminated.

28 Storage Methods of Barbiturates for Forensic Analysis Cawley, Hannah M.; Cook, Amy E.; Wetzel, Stephanie J. Department of Chemistry and Biochemistry Duquesne University Toxicology is a forensic field of study that aims to identify and quantify drugs and other chemicals in the body. The applications are numerous, but most important to forensics experts are cases of poisoning and drug use, especially when resulting in death. The accuracy and reproducibility of results is critical for investigations and research, which can be an issue when the methods and equipment of labs are not universal. This research aimed to minimize inconsistencies by comparing multiple storage and materials for pre-deposited internal standards in order to determine which one yields the best recovery with the lowest error. A mixture of deuterated barbiturates was put onto small pieces (about 1cmx1cm) of various media and Solid Phase Extraction (SPE) cartridges. The mixtures were allowed to dry, then stored in a closed container in a fridge for different time periods. Synthetic urine was spiked with a mixture of barbiturates and the materials containing the internal standards. SPE was used to extract the drugs from urine and the recovery of the barbiturates was determined using a liquid chromatography-mass spectrometer (LCMS).


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29 Investigating cholesterol as a novel marker for the photoacoustic detection of circulating adrenal cancer tumor cells Cook, Justin L.1 ; Edgar, Robert H.2 ; Viator, John A.1,2

1 Department of Engineering, John G. Rangos, Sr. School of Health Sciences, Duquesne University 2 Department of Bioengineering, Swanson School of Engineering, University of Pittsburgh Adrenal cancer diagnoses are rare with an approximated 200 to 500 new cases each year, however, once symptoms are severe enough to warrant exploratory testing, the cancers are quite extensive and likely metastatic (American Cancer Society). Adrenal carcinomas are unique, as they contain high concentrations of cholesterol relative to their cellular composition since cholesterol is a precursor molecule for the synthesis of steroids in endocrine cells (Morin et. al). Using an acrylamide-based, static well design, specimens were irradiated with a tunable laser system, operating in the visible wavelengths, to generate photoacoustic spectra. Based upon our preliminary results, we propose that a photoacoustic flow cytometry (PAFC) system tuned to the appropriate wavelength for the absorbance of densely packed cholesterol will allow for the identification of circulating adrenal cancer cells. The system could be expanded to collect detected circulating tumor cells for analysis into the mechanisms behind metastasis.

30 PDE Based Deep Learning for Geometric Image Data Cecil, Ryan Department of Math and Computer Science Duquesne University Image restoration is the process of estimating uncorrupted images from observations that have undergone degradations such as noise or blur. Previous results have shown that denoising image geometry, such as level line curvature data, and then reconstructing an image with the denoised curvature data yields more accurate results than denoising the image directly. In this work, we propose a new convolutional neural network whose architecture mimics that of a nonlinear partial differential equation for learning new higher order geometrically motivated image features as well as corresponding convolution filters and activation functions that can be used for image restoration. To realize this model, we have analytically computed the gradients of a convex loss function and initial numerical results for denoising are promising. The ultimate goal of this work is to use these learned features to formulate mathematically sound partial differential equation based models for image restoration.

31 Urban Gardening Techniques Employed by Phipps Conservatory’s Homegrown Program to Maximize Food Security and Biodiversity Roth, Kristen; Chitiyo, Plaxedes Environmental Science Department Duquesne University Phipps Conservatory’s Homegrown Program has alleviated the damage of food-apartheid through successfully giving 295 cost-free urban gardens and a lasting supply of fresh crops to residents of various eastern Pittsburgh neighborhoods. Food-apartheid is defined by underserved communities lacking healthy produce within a close proximity, and Homegrown has supported individuals who are vulnerable to this problem since 2013, starting in Homewood, and later expanding to: Larimer, Lincoln-Lemington-Belmar, and East Hills. In the process, introducing fertile land has also remediated the decline in biodiversity that occurred as Pittsburgh developed industrially, by establishing additional plants and attracting pollinators. This study examines the methods implemented by Homegrown that enhance the productivity of urban agriculture plots, such as: square-foot organization, intercropping, and species richness, using data from installations completed in 2019. The gardens have provided people with organic fruits, vegetables, herbs, and flowers in food-apartheid areas, while increasing biodiversity and generating a healthier city.

32 Processing superresolution images with machine learning Biomedical Informatics Department of Biomedical Informatics, School of Medicine, University of Pittsburgh IBRIC program Department of Computer Science, University of Puerto Rico Rio Piedras Campus Sanquiche-Sanchez Angel A. Superresolution microscopy has revolutionized biomedical research, as it provides molecular-scale resolution by breaking the diffraction limit. In particular, single molecule localization microscopy such as stochastic optical reconstruction microscopy (STORM) is a simple instrument and gives one of the best resolution down to 10-20 nm. But its unique point-based image deviates from conventional intensity-based microscopy images and present significant challenges for quantitative image analysis. Here we explore machine learning approaches for image segmentation and quantitative analysis of STORM-based super-resolution images. We aim to develop an approach to simultaneously account for structural discontinuity, mixed in-focus and out-of-focus and highly clustered image features in the large-scale super-resolution images. We developed an effective solution that utilizes traditional image processing techniques to preprocess super-resolution images and then trains a machine learning model to segment cell nuclei in super-resolution images, where traditional image processing techniques alone have shown difficulties in achieving satisfactory segmentation results.


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33 RarA, a redox active protein from Sulfurospirillum barnesii strain SES-3 Rebel, Lauren1; Jeganathar Kanmanii, Narthana1; Wells, Michael1; Stolz, John1,2

1Department of Biological Sciences 2Center for Environmental Research and Education Duquesne University Sulfurospirillum barnesii strain SES-3, an Epsilonproteobacterium, has the unique capability of reducing various metals and metalloids including iron, chromium, arsenic, and selenium. In some cases, it can couple the reaction to the oxidation of an electron donor in anaerobic respiration (e.g., arsenate, selenate, nitrate, thiosulfate). It is also capable of simultaneous reduction of chromium or selenium while respiring nitrate via the redox active protein RarA. Thus, this protein could be valuable for bioremediation applications. Found only in select species of Sulfurospirillum, the amino acid sequence of RarA has no significant similarity to any other known protein. The purpose of this project is to further investigate the affinity of RarA for arsenic and selenium oxyanions (i.e., arsenite, arsenate, selenite, selenate), as well as nitrate and phosphate. A pure culture has been successfully resuscitated from -80oC stocks using a medium containing lactate, fumarate, and arsenate.

34 The study of strange sea quarks’ contribution to the nucleon spin Parker, A.J & Benmokhtar, Fatiha Ph.D The Department of Physics Duquesne University The “Proton Spin Puzzle” was evoked by the European Muon Collaboration (EMC), which strived to determine the spin configuration of the proton. Formerly physicists theorized valence quarks to contribute 100% of the proton spin; however, this was proven false. Valence quarks only contribute about 30%. Physicists then theorized that virtual sea quarks contribute to the overall spin to protons. In order to prove this theory, Semi-Inclusive Deep Inelastic Scattering (SIDIS) was employed to probe the inside of deuterons using electrons, to study particle jets such as kaons. At Thomas Jefferson National Accelerator Facility (JLAB) a Ring Imaging Cherenkov (RICH) detector was built in to measure the strange sea in Hall B, which works by measuring emissions of Cherenkov radiation to identify particles based on the mass and charge collected. In this work, I will present the method used to extract the strange sea and the predicted statistics.

35 Modeling Temperature-Dependent Bleaching of Organic Dyes for Optical Data Storage Rockovich, Andrew; Christenson, Cory Physics Department Washington & Jefferson College Fluorescence photobleaching of organic dye/polymer composites provides a means of producing forms of layered optical data storage. Data can be written using pulsed, CW exposures of approximately 100ns, leading to a non-linear dependence of the bleaching on the intensity. Experimental data suggests that the bleaching of the dye is dependent upon the temperature rise. Given the short exposure times, the precise physical processes leading to bleaching is unclear. A photophysical model was developed incorporating temperature-dependent bleaching rates and the theoretical laser-induced temperature. The results suggest that the bleaching is occurring through the singlet state. The model can be expanded to predict the intensity required to bleaching for different materials.

36 Solubilities of Crystalline Drugs in PVPva Patterson, Cassandra; Gumireddy, Ashwini; Buckner, Ira Graduate School of Pharmaceutical Sciences Duquesne University A challenging pharmaceutical dilemma is the large amount of poorly water-soluble drugs on the market today. Poor solubility leads to low bioavailability and poor drug delivery. An approach to solving this issue is to use the amorphous form of a drug instead of the crystalline form because it has higher solubility and dissolution. However, amorphous drugs have low stability and need to be stabilized with a water-soluble polymer like copovidone (PVPva). Therefore, it is desirable to know the solubility of drugs in polymers to create stable amorphous systems. This project aims to develop a solubility determination method using hot-stage polarized-light microscopy. Different, well-mixed, proportions of drug and PVPva were placed on coverslips and were heated to dissolution. The presence or absence of remaining crystals after dissolution were observed. The microscopic observations were compared to solubility data previously collected using a differential scanning calorimetry method to confirm its results.


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37 Conjugate Flow Analysis for a Two-Layer Fluid Pamerleau, Ian; Chen, Ming Mathematics Department University of Pittsburgh Traveling waves propagate in a two-layer immiscible fluid of two constant densities bounded below by a rigid bottom and either confined by a rigid lid or allowed to move freely on the surface. We will seek conditions between the upstream and downstream (initial and final) states that support solitary waves which are spatially localized and limited to the same states up- and downstream. In order to be solitary, the flow must be conjugate, i.e. it must conserve mass, momentum and energy. Using the mentioned conservation laws and conjugacy, we will find algebraic relations between upstream and downstream states and show a general connection between the two states using dimensionless values like height ratio, density ratio, depth ratio, and the Froude number which is dimensionless wave speed.

38 Attachment of Antithrombin Medication on Left Ventricular Assist Device Weber, Hannah1; Armen, Jennifer M.1; Meng, Wilson S.2,3; Gawalt, Ellen S.1,2

1Department of Chemistry and Biochemistry, 2McGowan Institute for Regenerative Medicine, 3Graduate School of Pharmaceutical Sciences, School of Pharmacy Duquesne University Left ventricular assist devices (LVADs) made of titanium can be used to assist in circulation of blood in patients in end stage heart failure. Potentially life-threatening blood clots can form on LVADs, which clog the motor or get pumped through the heart. Enoxaparin sodium, an anticoagulant medication, has been used to prevent blood clots in vivo, however direct attachment to medical devices is desirable because it would allow for localized treatment. In this study, self-assembled monolayers (SAMs) were utilized to immobilize enoxaparin sodium onto the surface of titanium. SAM formation and medication attachment were confirmed using diffuse reflectance infrared Fourier transform spectroscopy. In addition, the effectiveness of enoxaparin sodium on titanium in preventing blood clots was examined using a peristaltic pump to mimic blood flow of the heart. Scanning electron microscopy was utilized to evaluate clot formation on samples of unmodified, SAM modified, and drug attached titanium.

39 Title: The Study of Particle-Jets in Electron-Proton Scattering Experiments Matthews, Emily Physics Department Duquesne University The Thomas Jefferson National Accelerator Facility (JLab) is aiming to identify and understand the most fundamental particles known today. Hall B’s CLAS12 spectrometer allows physicists to study particles, particularly pions, kaons, and protons, by utilizing the capabilities of the Ring Imaging Cherenkov (RICH) detector. This detector is built of a vast amount of 8x8 Multi-anode Photo-Multiplier Tubes (MAPMTs) which capture the ring of light discharged by particles travelling through aerogel, ultimately going faster than the speed of light. This ring of Cherenkov radiation is produced by the technique of Semi-Inclusive Deep Inelastic Scattering (SIDIS), which is the focal point of my research. Throughout the following weeks, I have analyzed data in the form of histograms to identify different quarks, specifically the Up and Down quarks, and to study their impact of Flavor Decomposition.

40 Synthesizing a Novel Class of Monoprotic Aminophosphines (MAPs): A Systematic Study Frederic, Wrebekah; Kelly, Jordan; Pros, Gabrielle; Falkowski, Jake; and Bloomfield, Aaron Department of Chemistry and Biochemistry Duquesne University Aminophosphines are compounds that result from a phosphorus (III) center being bonded to an amino substituent (primary or secondary) and are represented as R2N–PR2. Compared to phosphines, aminophosphines are considered as versatile compounds due to the presence of the nitrogen center, which acts as an additional site for reactivity. As bifunctional ligands, aminophosphines can serve as Lewis bases or participate in hydrogen bonding when interacting with solvents. In recent years, aminophosphines have gained attention in the field of research due to their behavior as ligands in homogeneous catalysis. However, their complexity has served as a barrier to research. A family of monoprotic aminophosphines (MAPs, RHN–PR2) with systematic variation of ligand structure, were studied. The MAP ligands were synthesized from commercially available precursors and then complexed to nickel (II). Schlenk line techniques were employed to create inert atmospheric conditions. This research serves to gain fundamental knowledge associated with aminophosphines.


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41 Using Probabilistic Matrix Factorization and Structure-Based Scoring for Drug Repurposing Muñoz-Hofmann, Kathi and Liu, Bing Department of Computational and Systems Biology TECBio REU University of Pittsburgh Drug repurposing is a promising topic as it greatly reduces the time and financial cost of developing new drugs. Many have recognized that computational approaches will play a crucial role in this endeavor. Probabilistic matrix factorization (PMF) based machine learning methods have been developed for this. However, a lack of negative samples mean such methods often suffer from overfitting problems. Here we propose a novel computational framework combining structure-based analysis and PMF-based machine learning. For a sampled drug-protein pair, we calculate a binding affinity score, which measures the strength of their interaction, using AutoDock Vina. Drug-protein pairs with poor interaction scores act as negative samples and are used to improve the PMF method. We have applied our method to the DrugBank dataset. Results could show that our method reduces overfitting and is more accurate and interpretable. It could also lead to novel predictions that could be confirmed with experimental validation.

42 Fluoride Removal in Drinking Water with Augmented Bentonite and Community Perceptions in Arusha, Tanzania Okular, Kara; Glancey, Kathleen; Bakar, Sophia; Whitewood, Abigail; Goldschmidt, Benjamin; Kahler, David M. The Center for Environmental Research and Education Duquesne University High fluoride concentrations in drinking water affect millions of people around the world. The World Health Organization recommends a fluoride concentration in drinking water of ≤ 1.5 mg/L; fluoride above this concentration can cause long-term problems known as fluorosis. The rural communities near Arusha, Tanzania have high fluoride concentrations in their water. There is a misconception on the cause of fluorosis and residents do not recognize fluoride as a health risk. To remove fluoride from drinking water, sodium hydroxide and aluminum sulfate were used to chemically augment bentonite. In conjunction with the augmented bentonite, a coagulant, ferric sulfate, was used to settle the particles. Fluoride reduction was tested in the laboratory with deionized water with sodium fluoride added, and in the field with natural water from the Arusha region. Ultimately, researchers hope to recommend a centralized treatment technology that will reduce fluoride and pathogens.

43 Solar Capture and Annihilation Rates of Strongly

Interacting Massive Particles (SIMPs)

Richards, Emily R

Department of Physics and Astronomy

University of PIttsburgh

Strongly Interacting Massive Particles are a dark matter

candidate that interacts weakly with the Standard Model

particles and strongly with themselves via gravity. SIMPs are

much less massive than other proposed DM candidates so

they are likely to interact with electrons rather than nucleons

in the Sun. This collision with electrons slows down SIMPs

enough to capture them in the Sun. When SIMPs are

gravitationally bound in the Sun they primarily undergo 3→2

annihilations in which 3 SIMP particles annihilate into 2

ordinary particles and emit neutrinos. These neutrinos are

detected at the IceCube Neutrino Observatory. We can

analyze the viability of the SIMP model by using calculated

capture and annihilation rates of SIMPs to predict the neutrino

production from the 3→2 annihilations.

44 Songbird Provisioning Behavior and its effects on Nestling Development Gibbs, Lauren, Hoenig, Brandon, Latta, Steve, Porter, Brady Department of Biological Sciences Duquesne University Nestling songbird development is largely dependent upon the foraging behavior of their parents, though it is unknown how specific provisioning dynamics influence the growth and lifelong success of these altricial offspring. One songbird species that may provide insight into how provisioning among songbirds affects nestlings is the Louisiana Waterthrush, a stream-obligate migratory songbird. Recently, DNA-based methods have been used to determine the prey composition of nestling waterthrush, though little work has been done to understand how factors such as nestling age or breeding season date impact adult foraging frequency. We observed adult waterthrush provisioning behavior and recorded nestling body metrics to assess their overall condition. Preliminary results indicate that sex-based differences in parental feeding behavior may impact nestling body condition and that provisioning behavior appears sensitive to changes throughout the breeding season. The findings of this research may clarify how breeding songbirds will adapt in a rapidly changing environment.


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45 Macromolecular Crowding Effects on Detergent Solubilized Porcine Liver Cytochrome P450 Reductase Miller, Jared; Seybert, David W Department of Chemistry and Biochemistry Duquesne University In vitro steady-state enzyme kinetics are usually performed in dilute solutions, which stand in stark contrast to the highly crowded cellular interior. Conformational changes of an enzyme during its catalytic cycle represents one property which can be sensitive to this macromolecular crowding. Cytochrome P450 reductase (CPR) is a mammalian NADPH-dependent diflavin reductase that transfers electrons to cytochromes P450, cytochrome c, and other heme-containing monooxygenases. Since this process involves large conformational changes of the FAD- and FMN-containing CPR, it was hypothesized that the enzyme’s electron transfer rates would be sensitive to macromolecular crowding. To expand upon previous research examining the concentration dependence of cytochrome c, the concentration dependence of NADPH was investigated. Increasing concentrations of the model crowder bovine serum albumin (BSA) resulted in a progressive decrease in Km for NADPH with a corresponding decrease in Vmax. A comparative analysis of macromolecular crowding effects on CPR steady-state kinetics will be presented.

46 Improving disease prediction using deconvoluted cell type proportions in bulk RNA-seq data Roberto C. Lopez-Rivera1, Sofia Triantafillou2 [1] Department of Computer Science, University of Puerto Rico Rio Piedras [2] Department of Biomedical Informatics, School of Medicine, University of Pittsburgh Cell type composition of a tissue is important for disease identification and treatment decisions. Single cell RNA-seq (scRNA-seq) is a gold standard for obtaining this information but is very costly and computationally expensive. Bulk RNA-seq data are easily accessible, but do not provide the cell type composition of the tissue. MuSiC is a deconvolution method that estimates cell type proportions in bulk RNA-seq data using already existing scRNA-seq data. In this work we examine how estimates of cell type proportions obtained by MuSiC in bulk RNA-seq data improves classification of diabetic vs non-diabetic patients compared to only using the bulk RNA-seq data. To do so we use machine learning models with and without MuSiC features and compare their cross-validated performance. Improved performance indicates that cell proportions obtained with MuSiC in readily available bulk RNA-seq can be used to improve the quality of models that can detect disease and guide treatment.

47 Customized Machine Learning Algorithm for sepsis risk assessment prediction on sepsis diagnosed patients on ICU admission Ramirez, David123, Weiss, Jeremy3, Cheng, Cheng3, Zhang, Beiming3

Computer Science University of Puerto Rico1

iBRIC Program University of Pittsburgh2 Biomedical Informatics Carnegie Mellon University3 Sepsis is a dysregulated immune response to infection that leads to acute organ dysfunction which affects millions of individuals per year, and carries a high risk of death even when care is provided promptly. Our goal is to focus on sepsis data analysis to discover possible correlations between clinical data and sepsis risk. Previous works have used methods such as machine learning, to provide more insight into how to better treat sepsis patients and improve mortality outcomes, choosing and using particular clinical features to predict outcomes. We used a sepsis data cohort selected from the eICU Research Collaborative Database, filtering the data with particular feature selection of patients diagnosed with sepsis at ICU admission. Data Analysis and Data wrangling was done to produce a data set with relevant features. We aim to predict sepsis-related complications and overall risk via baseline and customized machine learning algorithms and compare their effectiveness.

48 Inserting anti-plasmodial effectors into transgenic bacteria to decrease parasitemia in malaria-infected mosquitoes Van Sprang, Angelina; Guido, Marisa; Lampe, David Ph.D. Biology Department Duquesne University

Malaria is an infectious disease caused by parasites in the genus Plasmodium, which are transmitted by certain mosquitoes. The long-term goal of this research is to create transgenic bacteria that express anti-plasmodial effector proteins which can be introduced to the mosquito through a sugar solution. The mosquitoes will then feed on a bloodmeal to induce expression of the encoded anti-plasmodials. To test efficiency, the mosquitoes will be blood fed on a Plasmodium berghei infected bloodmeal. The number of oocysts present in the mosquito midgut after 19 days indicates efficacy of the anti-plasmodials. This project specifically focuses on using the plasmid pCG18.Hem to insert a terminator downstream of a bloodmeal-inducible (BMI) promoter called hemin and anti-plasmodial effector called scorpine. Inserting this terminator is paramount so that transcription downstream of the BMI promoter and effector does not continue. This creates a system that can be manipulated for different effectors and decrease overall parasitemia.


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49 Using Ordinary Differential Equations to Model Metabolic Pathways Involved in Sepsis Dyduch, P., Gregg, R., Manrique, C., Shoemaker, J., Gomez, H. Department of Critical Care Nephrology University of Pittsburgh Sepsis is a severe medical condition characterized by an overload of pathogen and elicits a strong inflammatory response characterized by the shift from normal metabolism to aerobic glycolysis. In doing so, a powerful immune response releases toxic compounds that affect not just the pathogen but also the surrounding tissue, potentially leading to organ failure. Consequently, an estimated 30% of sepsis cases in the US result in mortality due to organ failure. The goal of this undertaking is to use experimental data from human kidney cells exposed to LPS toxin to construct ordinary differential equation models of that metabolic pathways that control transition between normal metabolism and aerobic glycolysis. Our results show that restoration of the mTOR-HIF-1α pathway, which controls cellular metabolic shifts, is most effective during early (under 24h) stages of sepsis.

50 Estimating Model Complexity of Feed-Forward Neural Networks with Two Hidden Layers Gómez-Flores, Axel O.1,2; Landsittel, Douglas2 1Department of Mathematics, University of Puerto Rico-Río Piedras, PR 00925 2Deparment of Biostatistics, University of Pittsburgh, PA 15260 A feed-forward artificial neural network (ANN) is an example of a machine learning method used to predict an outcome, such as assessing risk of cancer or other disease. However, ANN’s have limitations, such as unknown complexity. Our goal is to determine how complex the ANN is under the null hypothesis (i.e. with no association between the covariates and the response). Previous results have shown that, for simple cases, the null distribution of the likelihood ratio statistic (LRS), i.e. its model complexity under the null, for only one hidden layer can be adequately approximated by a chi-squared distribution with degrees of freedom (df) equal to the simulated mean LRS. We have conducted additional simulations to extend results from one to two hidden layers. Preliminary results show that for binary inputs, as with one hidden layer, the null df can be predicted by the total number of main effects and possible interactions.

51 Activation Mechanism of Cyclin Dependent Kinase 2 (cdk2) in Anucleate Platelets Donehue, David University of Pittsburgh Cancer Institute Platelets are anucleate blood cells that are primarily for hemostasis but also contribute to the spread of cancer. A recent novel discovery by our lab group has shown that the cell cycle protein Cyclin Dependent Kinase 2 (Cdk2) is present in platelets even though they do not have a nucleus or have a cell cycle... During the cell cycle cdk2 is activated through canonical phosphorylation on threonine the amino acid 160. The laboratory also showed that the platelet activator thrombin induces kinase activity of cdk2. The goal of this project is to use immunoblotting and immunofluorescent analyses to determine if canonical activation of cdk2 occurs in platelets exposed to thrombin.

52 Structural Studies of Human GlyR Using Site-Specific Systematic evaluation on the task of predicting the impact of genetic variants using protein sequence versus protein 3D structure Figueroa, Michael J.1,2,3 , Lugo-Martinez, Jose 2

[1] Department of Mathematics, University of Puerto Rico – Rio Piedras, San Juan, PR 00925 [2] Department of Computational Biology, Carnegie Mellon University, Pittsburgh, PA 15206 [3] iBRIC Summer Program, University of Pittsburgh Recent technological advances in next-generation sequencing have led to an unprecedented growth of available human genetic variation data. This facilitates the development of machine learning methods that can predict the impact of genetic variants. Toward this goal, multiple studies have designed methods for estimating the impact of variants using different sources of information. Although previous studies suggest that the quality of disease-related predictions can be improved with protein structure information, many of these studies were limited in scope. In this study, we analyzed a comprehensive set of disease-related and putatively neutral genetic variants as part of a systematic study on the effects of sequence and structural protein information on the prediction of disease-related variants. In particular, we compared methods for estimating the impact of variants based on protein sequence information as well as protein three-dimensional structure. Our preliminary results show that sequence-based methods perform as well as structure-based predictors.


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53 Catalytic Methane Dehydroaromatization with Microwave Heating Ishiki, Aaron Chemical and Petroleum Engineering University of Pittsburgh In industry, methane is converted into aromatics through an indirect route: methane to syngas and then syngas to aromatics. Methane dehydroaromatization (DHA) is a direct route that would be more economical. The DHA process we use is a catalytic reaction involving a zeolite, a microporous aluminosilicate mineral, for higher selectivity of desired aromatics. Due to the thermodynamic unfavourability of the reaction, high temperature operating conditions are required. At high temperatures, coking (solid carbon depositions) of the catalyst occurs and inhibits the reaction. Microwave (MW) heating of the catalyst is currently under investigation. The main advantage is selective heating which can reduce coking. By incorporating metals such as gallium, into the structure, the hypothesis is that the metals induce dipoles which can increase MW sensitivity. Current work involves synthesis of zeolites with different metal loadings and silicon to aluminum ratios in the framework to study how MW sensitivity is affected.

54 Iron Chelated Alginate Particles Green, Kasey1; Yonet-Tanyeri, Nihan1; Little, Steven R.1, 2-6 Department of Chemical and Petroleum Engineering1, Bioengineering2, Pharmaceutical Sciences3, Immunology4, Ophthalmology5, and McGowan Institute for Regenerative Medicine6

University of Pittsburgh Matrix metalloproteinases (MMP) are enzymes that degrade the extracellular matrix. MMP is prevalent in patients’ urine with bladder cancer and can, therefore, be used as a biomarker for diagnosing bladder cancer. Bladder cancer is very expensive to diagnose and treat. Thus, the need for reduced cost methods is prevalent. The current low-cost technology that is developed by our group relies on colorimetric detection of MMP from urine using a solution-based assay. Our goal is to translate this technology to a cost-effective point-of-care product. In this study, iron chelated alginate particles were synthesized. The fabrication method is ionic gelation method. The particles were then characterized using an SEM. Particles were produced using different parameters, such as water content, surfactant content, and centrifugation, to see the effect on particle size. Finally, particles’ mobility on lateral flow assay was tested.

55 Testing Alternative Statistical Tests of Conditional Independence in TETRAD for Power and Correctness Lozada-Pérez, Jonathan J.1,2; Ramsey, Joseph3; Spirtes, Peter3

1Department of General Studies, University of Puerto Rico Río Piedras Campus, PR 00925; 2Department of Biomedical Informatics, University of Pittsburgh, PA 15260; 3Department of Philosophy, Carnegie Mellon University, Pittsburgh, PA 15213 Discovering causal relations drives research in numerous scientific fields. As we deal with more complicated probability distributions, and the number of measured variables increases, identifying causal relations through experimentation becomes increasingly difficult or impossible. TETRAD is a causal discovery program that utilizes conditional independence tests from observational data to discover causal relations. We intend to establish which statistical tests of conditional independence that PC uses affect the probability of type I error, power, the effectiveness of the PC algorithm, and it’s time of execution over a broad range of inputs from simulated graphical models. Specifically, we will adjust parameters such as sample size, parametric family choice, and the size of the conditioning set for any one independence test. The results of these simulations will guide more specific and accurate advice about which conditional independence tests user should employ for a given dataset in scientific fields that may employ TETRAD.

56 Influenza induced pyroptotic cell death in porcine precision-cut lung slices Khatri, Shania1; Kettenburg, Gwen2; Corry, Jacqueline2; Barratt-Boyes, Simon2 [1] Hillman Academy, Doris Duke Charitable Foundation Undergraduate Intern, University of Pittsburgh [2] Department of Infectious Disease and Microbiology, University of Pittsburgh Seasonal influenza is a public health burden worldwide. The CDC estimates that in the 2017 flu season 48,800,000 people were infected and 79,400 died. Influenza is a segmented virus that infects many species, providing the greater threat that influenza strains may cross into other species. H5N1, an avian strain against which humans have no immunity, causes severe acute respiratory distress syndrome. We hypothesized that H1N1 and H5N1 infection in cells leads to caspase activation and pyroptotic cell death, and that the infection and its subsequent effects increase with a longer virus infection period. To test this, porcine precision-cut lung slices were infected with H5N1 or H1N1 ex vivo, the slices were then imaged using confocal microscopy or subjected to Western blotting. While we observed less infection with H1N1 than H5N1, we found that pyroptosis-specific markers were detectable in both infections, but not in uninfected tissue.


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57 Analysis and modeling of treatment trajectories for patients presenting with Dyspnea to the ICU Alvarez-Rios, Manuel 1, 2 Senathirajah, Yalini3 Gopalakrishnan, Vanathi3 [1] Department of Computer Science, University of Puerto Rico Rio Piedras [2] Department of Biology, University of Puerto Rico Rio Piedras [3] Department of Biomedical Informatics, School of Medicine, University of Pittsburgh United States Abstract: Currently there exists a gap in the understanding of the influencing factors for accurate and efficient outpatient diagnosis of the causes of dyspnea. Dyspnea is difficult to diagnose due to multiple potential causes. Some conditions such as coronary artery disease and pneumonia have high mortality and are underlying causes of dyspnea. But, due to the disparity in practices used by critical care physicians in cases of symptomatic dyspnea presentation, diagnoses are often delayed at the cost of patient safety. Machine-learning methods can allow for more meticulous analysis of patient data in order to generate updated and tailored diagnoses. Along with the broad incorporation of electronic health records in hospitals, tremendous amount of data exists that can be used for these studies. We are performing these analyses on MIMIC3, which is a well-known database comprising of de-identified health-related data from over forty thousand patients who stayed in the ICU between 2001-2012.

58 Synthesis of Molybdenum Trioxide and Characteristics of HxMoO3 Bronze Formation. Habeger, Rebekah; Miu, Evan; McKone, James Department of Chemical and Petroleum Engineering University of Pittsburgh Our group is interested in bridging the gap between thermal and electrochemical catalysis with the goal of improving common industrial reactions. Reducible metal oxides like molybdenum trioxide (MO3) are useful models for these studies, as they can intercalate hydrogen both thermally and electrochemically. MoO3 exhibits a color change during this reaction, allowing the formation of molybdenum oxide bronze (HxMO3) to be directly measured. MoO3 has been shown to intercalate hydrogen more efficiently than other bronzes. This suggests MoO3 can be used as a high performing chemical catalyst. In this work, various MoO3 synthesis methods were performed to produce a stable reducible oxide. The optimal method produced orthorhombic crystals, confirmed using XRD. Cyclic voltammetry was performed to probe intercalation dynamics. We then performed DFT calculations to help identify redox peaks observed experimentally. This study provides a basis for further work on thermal and electrochemical formation of HxMoO3.

59 A Data Provenance Tracking System to Aid Cancer Research Ayim Bey Phylicia, Tuite Luke, Maiden Tom, Chandren Uma, Davis Mike, Lee Adrian, Ropelewski Alexander Department of Biomedical Informatics University of Pittsburgh/ Pittsburgh SuperComputing Center The Aurora-U.S. Project is focused on identifying the molecular features behind the development and progression of metastatic breast cancer. The Data Coordinating Center (DCC), also known as the informatics core for the project is at the University of Pittsburgh and the Pittsburgh Supercomputing Center. The Data Coordinating Center’s role in the project is to acquire data from the Clinical Data Center, Biospecimen Core Resource, and the three Genomic Characterization Centers through a secure submission process, link the clinical metadata and the sequencing data, provide access to processed data through a web interface, and develop a system for computing on both raw and processed data. Data provenance tracking is a vital component of the (DCC). This work describes the data provenance problem for the (DCC) and describes the solution used by the (DCC) to enable the provenance of data files submitted to the DCC to be accessed and tracked over time.

60 Magnetic Separation of Biotinylated Bacteriophage Using Photoacoustic Flow Cytometry For Faster Bacterial Detection Kocsis, Tori; Edgar, Robert; Viator, John Biomedical Engineering Department Duquesne University Bacterial detection and identification of a patient’s blood sample is a long process that takes 3-4 days to complete. Bacteriophage are viruses built from repeating protein subunits with the ability to attack and destroy specific bacteria based on their antigen binding capabilities. The goal of this work is to produce bacteriophage particles with magnetic beads for quicker identification of bacteria from an unknown sample. Bacteriophage are prime targets for biotinylation, meaning the functional amino acid group of the biotin reagent easily reacts with the surface proteins of the bacteriophage. Through highly affinitive biotin-avidin interactions, the biotin labeled bacteriophage are attached to magnetic streptavidin beads. Mixed solutions of the magnetized bacteriophage particles attached to bacteria are separated with a strong magnet in order to separate the bacteria from a suspended solution. Ultimately, biotinylating and magnetizing highly concentrated bacteriophage without affecting their infecting capabilities allows for quicker separation of bacteria from leukocytes and other particles present in patient’s bloods sample.


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61 Identifying Low-Frequency Coding Variants in

Association with Fear of Pain and Dental Fear

Grimason, Haley, Zhou, Jennifer, McNeil, Daniel W., Crout,

Richard J., Weyant, Robert J., Marazita, Mary L., Shaffer,

John R.

Department of Systems and Computational Biology & School

of Public Health

University of Pittsburgh & West Virginia University

Fear of pain and dental fear are complex traits which have

many factors that contribute to a person’s experience of acute

and chronic pain. A person’s fear and avoidance of pain can

lead to poor oral health due to evasion of possibly painful

dentist visits. While these traits have been researched on a

psychological scale, the genetics behind them has been

understudied. In this study, we sought to identify low-

frequency or rare genetic variants within the exome that are in

association with both fear of pain and dental fear using two

statistical tests. The tests were the combined multivariate and

collapsing (CMC) method and sequence kernel association

test (SKAT) which test groups of rare variants in aggregate to

increase statistical power. The goal was to identify burdens of

variants within genes of the exome that have a significant

association with a person’s level of pain-related fear and

dental fear.

62 How nest site characteristics influence nestling survival in the Louisiana waterthrush (Parkesia motacilla) Jarrett, Abigail R; Hoenig, Brandon; Ransom, Nancy; Latta, Steven C Department of Biological Sciences, Duquesne University The Louisiana waterthrush (LOWA), a wood warbler, is a migratory bird species that breeds in Eastern North America during the months of April, May, and June, making it one of the first neotropical migrants to arrive during spring migration. The species is reliant on riparian systems for both its nesting sites and aquatic prey, leading to wide variation in the locations of nests along stream banks. Reported nest failure rates for the species average at about 50%, the vast majority resulting from depredation. In order to illuminate the connections between nest site characteristics and subsequent nestling survival, the nests of 31 LOWA pairs were evaluated following the completion (fledged, depredated, or abandoned) of the nest. We characterized 5 meters around the nest—the microenvironment—as well as the surrounding forest, with most nests being found in stream banks above actively flowing water.

63 Photoacoustic Detection of Tag List Melanoma Compared to Mart1 and Sox10 Tagging Perkins, Morgan; Edgar, Robert; Viator, John Biomedical Engineering Department Duquesne University Melanoma is the most dangerous form of skin cancer that develops when pigment-producing cells mutate and become cancerous. In order for photoacoustic detection of tag list melanoma to be compared to the detection of Mart1 and Sox10 tagging, a successful attachment of antibodies to the cell must occur. Photoacoustic flow cytometry uses a laser system to detect a sample passing through a flow chamber which absorbs laser energy and produces a signal for analysis. Sox10 and Mart1 containing biotin are combined with streptavidin coated nanoparticles, through the highly affinitive avidin-biotin interaction, creating a solution tagging melanin within cells and allowing a photoacoustic response to be detected. Separately, the tag list melanin will be detected using the photoacoustic laser without the use of antibody tagging. The goal of this research is to observe the photoacoustic detection of tag list melanin producing better results than the tagging of Sox10 and Mart1 to the cancerous cells.

64 Extracellular heme promotes cerebral infarction in sickle cell disease mice Salazar Maria L, Flage Bethany, Hazra Rimi and Ofori-Acquah Solomon Pittsburgh Heart Lung and Blood Vascular Medicine Institute, Department of Medicine University of Pittsburgh Ischemic cerebral infarction (CI) is common in sickle cell disease (SCD) patients. Intravascular hemolysis, fundamental to SCD, releases extracellular heme that contributes to hypercoagulability and vaso-occlusion. These events may impede blood flow and tissue oxygen delivery leading to ischemia. Role of heme facilitating the development of CI in SCD has never been studied. We hypothesized that heme induces CI in SCD. A low dose of heme or vehicle was intravenously infused into transgenic SCD mice. Triphenyltetrazolium chloride staining clearly identified cortical CI in hemeinfused mice but not in vehicle-infused mice. Histologically, cerebral tissue sections showed neuronal loss, shrunken neurons with vacuolation and nuclear fragmentation in heme-injected mice. Moreover, expression of hypoxia-inducible factor-1 alpha (HIF1-α) was induced in cerebral tissue of hemeinjected mice compared to the vehicle-injected mice indicating ischemia. This study developed an in-vivo model of ischemic CI that can be used to study neurological complications including stroke in SCD.


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65 Foraging strategies differ among subspecies of honeybees Pérez Claudio, Eddie1,4; Rordriguez-Cruz, Yoselyn2; Arslan, Okan C.3; Kence, Meral3; Copper, Gregory4; Wells, Harrington5; Abramson, Charles I.6; Agosto Rivera, José L.1; Giray, Tugrul1

1Department of Biology, University of Puerto Rico 2Department of Science and Mathematics, Interamerican University of Puerto Rico, Bayamon, PR, USA 3Department of Biology, Middle East Technical University, Ankara, Turkey 4Department of Biomedical Informatics, University of Pittsburgh 5Department of Biological Science, University of Tulsa 6Department of Psychology, Oklahoma State University Individual honeybees have different strategies which they use to forage in what they perceive is the optimal way. However, it was unknown if the emergence of these foraging strategies was heritable. Since reward and aversion learning are heritable in honeybees, we hypothesized the distribution of foraging strategies in a subspecies would be heritable and would reflect the optimal strategy for their ancestral habitat. Here, honeybees from multiple subspecies went through an assay where they chose flowers with different effort/reward values. There were 3 strategies any bee could take: Work Minimizing, Color Preference, and Energy Maximizing. We used K-means to cluster individual bees into the strategies (a huge improvement over the old “eye-o-meter” in the literature) and found that foraging strategies differ among subspecies of honeybee which hints at a heritable component. The next step is to dissect if the heritable component is genetic or if this is a learned behavior.

66 Genome sequencing and phylogenetic analysis of the tamandua in order to improve understanding the placental mammal diversification in the Paleocene Joiner, Maia2; Al Zadjali, Al Muatasim; Negron, David1; Wible, John R3.; Wilson, Thomas5; Brusatte, Stephen; Spaulding, Michelle4; Shelley, Sarah3; Janecka, Jan E1. [1] Duquesne University Department of Biological Sciences [2] Allegheny Community College [3] Carnegie Museum of Natural History [4] Purdue Northwest University [5] New Mexico Museum of Natural History and Science University of Edinburgh Understanding the diversification of placentals in the Palaeocene can help explain the effect of the Cretaceous-Paleogene (K-Pg) extinction event, which lead to the loss of several major lineages such as dinosaurs. Placentals, such as Xenarthrans (sloths and anteaters), originated much earlier, around 100 mya, however, there was a rapid diversification after the K-Pg extinction. By understanding this radiation in the Palaeocene, we can explore how paleoecological events influence the evolution of mammals. We sequenced the tamandua and added it to a DNA matrix with 26 gene segments for 127 taxa. These sequences were aligned in MUSCLE and maximum likelihood and Bayesian methods were used to reconstruct the best scoring phylogenetic tree and estimate divergence times. The results provide information on the origin of the tamandua and the diversification of the Myrmecophagidae (anteaters) in the early Miocene. The genomic data we generated for the little-known tamandua is also important for developing molecular markers useful for conservation and population management.

67 Optimization of Immuno-Staining for Growth Associated Protein (GAP-43) in Rat Sciatic Nerve Tissue after Chronic Constriction Injury (CCI); a tool for assessing axonal regeneration. Williams, Essence D. 1,2; Brauckmann, Alyssa 1,2,3 ; Deal, Brooke 1,2;Lu, Liu 2,4;Janjic, Jelena M. 2,4; Pollock, John A. 1,2 1. Department of Biological Sciences, 2. Chronic Pain Research Consortium, 3.Department of Engineering, 4Graduate School of Pharmaceutical Sciences, School of Pharmacy, Duquesne University, Pittsburgh, PA Nerve injury is often associated with significant inflammation, which can interfere with nerve regeneration. A possible treatment for neuroinflammatory pain is theranostic celecoxib nanoemulsion (CXBNE). Previous studies from our group has shown that CXBNE significantly decreases inflammation, reduces the presence of inflammation mediators, and relieves pain-like behavior in rats (Janjic et al, JNI 2018). Damaged peripheral nerves, like the sciatic nerve, have the capacity to regenerate. We seek to explore whether regeneration of nerve fibers in the CCI injured nerve will be enhanced when inflammation is reduced with CXBNE therapy. We visualized proteins known to be involved in nerve fiber regeneration, like GAP-43. The fluorescent inmmunohistochemical staining is done in the context of staining for infiltrating macrophages (CD68), which represent the extent of inflammation. The results show that CXBNE lowers GAP-43 expression to normal levels suggesting its potential for improving neurregeneration.

68 Sex Differences in the Infiltration of Cytotoxic T Cells and Macrophages During Chronic Pain and Celecoxib Nanoemulsion’s Effect Reynolds, Laura1,2; Deal, Brooke1,2; Janjic, Jelena2,3, Pollock, John A.1,2 1Department of Biological Sciences, Duquesne University 2Chronic Pain Research Consortium 3Graduate School of Pharmacy, Duquesne University Currently, there is a poor understanding of the molecular basis of the development of chronic pain in females. Recent studies show a key cellular difference in the development of chronic pain; where males use cellular responses of the innate immune system such as macrophages and females use adaptive cells such as T-cells. In order to study this dynamic, the neuroinflammatory model, chronic constriction injury (CCI), was performed on the sciatic nerve of male and female rats. Macrophages and cytotoxic T cells were then examined in males and females at day 12 and day 18 post-surgery to investigate the timeline of this inflammatory process. We also examined the ability of a novel macrophage targeted nanoemulsion containing the nonsteroidal anti-inflammatory drug (NSAID) Celecoxib (Janjic et al, JNI 2018) to decrease this inflammation at day 12 and evaluate sex differences.


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69 Possible validation of Intragenic Gene Rearrangements using Allele-Specific Copy Number Data of TNBC Simoneaux, Tankya1,2. Lee, Sanghoon 2. Loo, Suet Kee2. Wang, Xia-song 2. [1] Department of Neurobiology, Morehouse School of Medicine, Atlanta, GA 30310 [2] Department of Biomedical Informatics, School of Medicine, University of Pittsburgh, Pittsburgh, PA 15206 Triple negative breast cancer (TNBC) comprises 10-20% of all breast cancers, remains the most challenging to treat2. Few studies have analyzed novel mutations using allele specific copy number data. The overall goal of our investigation is to determine how to exploit the presence of the mutations to develop better treatments. Previous research from our lab has identified certain intragenic rearrangements (IGRs) associated with TNBC. We propose to investigate these IGRs initially by validating discovered intragenic rearrangements retrieved from TNBC data in silico. We have acquired human breast cancer WGS copy number estimation data for 184 patients from the International Cancer Genome Consortium (ICGC). Using our customized scripts, we extracted the allele-specific copy number data to validate in silico our intragenic gene rearrangements for further in vitro validation. Here we present a novel methodology for first pass validation in silico of novel IGRs for further analysis.

70 Mass Spectrometry Analysis of Hexavalent Chromium in Dietary Supplements Taylor Teitelbaum1, Lauren Stubbert1, James Henderson1, Matt Pamuku2, and H. M. “Skip” Kingston1 1Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA 2Applied Isotope Technologies Company, Pittsburgh, PA Dietary supplements have become common in modern society and are now prescribed by physicians to ensure patients receive the nutrients not gained from their diets. Despite supplements having fewer regulations than pharmaceuticals, it is essential that the species of elements found in these products be regulated and limited if harmful. The two types of chromium studied in dietary supplements were trivalent chromium [Cr (III)] and hexavalent chromium [Cr (VI)]. Trivalent chromium is needed in the human body to aid in metabolizing sugars and lipids; meanwhile, hexavalent chromium is a carcinogenic, mutagenic and teratogenic substance. These species are known to perform bidirectional interconversions between one another. This increases the importance for companies to verify the proper speciation makeup of their products, which is not possible with current methodology. Thus, an accurate and legally defensible method is required that uses chemical species isotopic tracking to quantify and correct for the bidirectional conversion of chromium.

71 Dynamic Modeling of Obstetric Coagulopathy Fitzmaurice, K., Pressly, M.A., and Parker, R.S. Department of Computational and Systems Biology University of Pittsburgh (TECBio REU) Coagulopathies are a class of bleeding disorders characterized by defects in the blood coagulation system, which can lead to excessive bleeding in patients experiencing trauma or injury. A tool for assessing clotting ability is the thromboelastogram (TEG), which provides a graphical representation of clot formation over time. The goal of this research project is to develop a dynamic model of the thromboelastogram blood coagulation test using TEG data from the obstetric population. Our approach is “top down” in nature, with a focus on creating data-driven models of coagulation that balance physiologic realism with utility in the clinical setting. The use of simplified dynamic models will help enable model calibration and parameter estimation from TEG data. By linking parameter distributions to patient outcomes, this type of model can be used as a tool for assessing an individual's clotting ability and grouping patients into categories of probable coagulopathy.

72 PURDIP summer research: investigating changes in RV gene expression under hypertrophic signals Iviricu, Carlos1,2; Gorelova, Anastasia1; Barmen, Mariah1; Rahman, Mazin1; Al Ghouleh, Imad1

1Department of Medicine, Division of Cardiology and Heart, Lung and Blood Vascular Medicine Institute, University of Pittsburgh. 2Florida International University. Pulmonary Hypertension is a devastating disease with no cure. The leading cause of death from PH is failure of the right ventricle (RV) of the heart, which initially undergoes adaptive hypertrophy but transitions to failure with disease progression. Published data from our lab shows a link between the scaffolding protein EPB50 and hypertrophy of vascular cells. However, the role of this protein in cardiomyocytes is unknown. The current project aims to test whether EBP50 is associated with cardiomyocyte responses to stimuli (Angiotensin II & Phenylephrine) that mimic hypertrophic forces experienced by the RV in PH. An in vitro model of H9C2 cardiomyoblast cell line, which differentiate into cardiomyocytes, is used to assess for EBP50 expression under Angiotensin II & phenylephrine treatment. Expected results include higher expression of EBP50 hypertrophic stimuli. Future directions include interrupting EBP50 using gene silencing technology and assessing cellular hypertrophy under the same stimuli.


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73 Optimization of Soft Nucleophiles and Propargyl Systems Paige Aley, Marianne Hanna, Sarah Hejnosz, and Dr. Thomas Montgomery* Department of Chemistry and Biochemistry Duquesne University Creating new ways to become more environmentally friendly in the field of science is challenging and requires new approaches to solving a long-standing problem: conserving natural resources. Catalysts are important puzzle pieces in the synthesis of reactions which place on a large scale in medicinal and industrial chemistry, but catalysts come with a heavy price. A precious metal like palladium is a commonly used transition metals in catalysts. Unfortunately, this metal is precious due to the low natural abundance and high cost. This research aims to study the catalytic interactions of the more abundant, but more reactive transition metal, nickel, as a replacement to the rarer metal, palladium. The overall goal of this research is to optimize soft nucleophiles and propargyl systems with the ideal atmospheric, solvent, and catalytic conditions in order to produce ideal yields as well as to understand the formation of a novel compound.

74 Quality of Care for patients deceased from metastatic breast cancer (MBC) Senthil, Keerthana (2), Heckmann, Rachel (1), Rosenzweig, Margaret Quinn (1) [1] School of Nursing, University of Pittsburgh, Pittsburgh, PA [2] Hillman Academy-Doris Duke Scholar, University of Pittsburgh, Pittsburgh, PA While palliative care is often integrated into MBC treatment, goals of care conversations are deferred, leading to poor quality of care at the end of life for patients. We sought to measure the frequency of palliative care and goals of care discussion among this cohort using a comprehensive 3-year chart review from Magee Women’s Cancer Center. Among the 130 deceased MBC patients in this cohort, (Mean Age: 58, Race: Black and White) 81.8% (n=108) had palliative care services, 50% (n=65) had no advance directives, 40% (n=52) did not use any hospice services, and 12% (n=16) died in the ICU. Of those who died in the ICU, 62.5% (n=10) did not have an advance directive and 43.7% (n=7) had initial goals of care meetings within 2 months or less prior to their time of death. The importance of integrating a timely goals of care discussion in order to improve the overall quality of care at death is concluded from this data.

75 Elucidating Structure-Property Relationships of Atomically-Precise Gold Nanoclusters from Density Functional Theory Holbrook, Ethan W., Cowan, Michael J., and Mpourmpakis, Giannis Department of Chemical and Petroleum Engineering University of Pittsburgh In recent years, ligand-protected Au nanoclusters (NCs) have retained interest due to their atomic structural precision, unique properties, and potential in applications like catalysis. Since their discovery, Density Functional Theory (DFT) has been instrumental in calculating the electronic properties of NCs. Although accurate, DFT is computationally expensive. Thus, rapid methods that retain the accuracy of DFT are highly sought after to screen for NCs with desirable properties. Towards this goal, we developed a computational framework to discover structure-property relationships of NCs. Our approach connects NC descriptors based solely on experimental structural data to electronic properties calculated with DFT. Applying our framework, we developed a universal NC electronic gap model based on a sample of 22 NCs ranging from 18 to 102 Au atoms with 8 different ligand types. The model was in turn used to elucidate the structural features that dictate electronic gaps of NCs.

76 Examining Potential Intermediates in the Electrochemical Synthesis of Ozone from Water Fatouros, Peter1; Basdogan,Yasemin2; Keith, John2; 1Department of Chemical Engineering, Clarkson University 2Department of Chemical and Petroleum Engineering, University of Pittsburgh

Ozone can be produced by electrochemical water oxidation, but there are many questions about how to engineer its reaction mechanism that involves six electron transfer steps. To properly understand this reaction, it is imperative to have an accurate understanding of the energetics and thermodynamic properties (e.g. acidities and standard redox potentials) of hypothetical reaction intermediates along the reaction pathway. We have used Kohn-Sham density functional theory (DFT) and implicit and mixed solvation models to determine these acidity constants and reduction potentials for a collection of oxygen containing molecules. A mixed implicit/explicit solvation model and the accompanying thermodynamic cycle has also been found to reduce errors in calculations compared to the available experimental data. After benchmarking this approach, we predict thermodynamic properties for different solvated reaction intermediates and determine which are relevant for the electrochemical ozone production reaction.


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77 Assessing the Effects of Per- and Polyfluoroalkyl Substance (PFAS) Exposure on the Mouse Gut Microbiome

Jailyn Dorsett1, Manoochehr Khazaee1, Sarah Jane Haig1, Carla A. Ng1

1University of Pittsburgh, Department of Civil and Environmental Engineering, Pittsburgh, PA Per- and polyfluoroalkyl substances (PFAS) are commonly used in water and oil resistant materials, including non-stick pans and dental floss. To investigate whether PFAS exposure negatively impacts the gut microbiome, the community of microorganisms in the gut with important roles in health, mice were exposed to PFAS and changes to the microbial community in their guts were assessed through analysis of their feces. The mice were exposed for one month via oral gavage at 6 concentrations (0.5 to 100 mg/kg of the PFAS). Fecal samples collected at various times were analyzed using ddPCR (Digital Droplet Polymerase Chain Reaction). This technique amplifies DNA to generate thousands to millions more copies to track changes in the number and types of microbes present. The results of the study will be important for determining how harmful PFAS are for use in everyday materials and how to move forward with removing them from the environment.

78 Investigating the role of mitochondrial amidoxime reducing component (mARC2) in mitochondrial dynamics of HepG2 cells Bradley, A’Doriann; Sun, Bin; Gladwin, Mark; Sparacino-Watkins, Courtney Vascular Medicine Institute University of Pittsburgh Mitochondrial amidoxime reducing component 2 (mARC2) is an oxidoreductase with unclear physiological function. Deletion of mARC2 in mice lowers body fat levels and circulating triglycerides, supporting a role for mARC2 in lipid metabolism. One study demonstrated that over-expression of mARC2 promotes mitochondrial fissions in cells. Lipids are known to influence mitochondrial dynamics; therefore, we hypothesized that mARC2 modulates lipid metabolism to promote mitochondrial fission. To determine if mARC2 modulates mitochondrial dynamics, we tested the effect of mARC2 knockdown by siRNA transfection on protein markers of mitochondrial fission and fusion in HepG2 cells. We expect that lowering mARC2 levels will cause more mitochondrial fusion. Mitochondrial protein markers of fission (Drp1) and fusion (OPA1, Mitofusion2) were measured with western blot. We found little difference in markers of fission and fusion among control and mARC2 knockdown cells. Future studies will determine if mARC2 modulates mitochondrial dynamics in the setting of lipid overload.

79 Population-genomic dynamics of Streptococcus pneumoniae evolving in immunocompromised mouse models under antibiotic treatments Vilanova-Cuevas Brayan (1,3), Scribner Michelle (1), Rosch Jason (2), Cooper Vaughn (1) (1) Center for Evolutionary Biology and Medicine, and Department of Microbiology and Molecular Genetics, School of Medicine, University of Pittsburgh (2) Infectious Diseases, St. Jude Children's Research Hospital (3) TecBio REU, Department of Computational and Systems Biology, School of Medicine, University of Pittsburgh Chronic bacterial infections are caused by populations that can include diverse genotypes. Most studies rely upon isolated clones, which limits inference about diverse strains and functions. However, sequencing technologies have become inexpensive and efficient enough that population sequencing is now possible, but we need to further develop the bioinformatics tool. In this research, three groups of mice varying in their immune status (macrophage depletion, neutrophil depletion, no depletion) were infected with Streptococcus pneumoniae and then this population was transferred to new mice, undergoing a total of 30 mouse-passages. Different lineages were treated with different antibiotics and we aimed to determine which mutations were under selection. We integrated existing programs and new tools to identify all instances of parallel evolution among lineages, defined mutations that appear to co-occur on the same lineages, define the total mutations at each timepoint in the population, and analyzed diversity and the coexistence of different lineages.

80 Microbial Community Composition in the Stromatolites of Shark Bay, Australia Hoffman, Caroline1, Barton, Madison2, Reid, Pamela3, Stolz, John1,4 1Department of Biological Sciences, Duquesne University, Pittsburgh PA 2Department of Biology, LaRoche University, Pittsburgh PA 3Rosenstiel School of Marine and Atmospheric Sciences, University of Miami, Miami FL 4Center of Environmental Research and Education, Duquesne University, Pittsburgh PA The stromatolites of Shark Bay, Australia, exhibit a variety of morphologies due to diverse microbial communities and environmental factors. We examined several different mat types using samples fixed in the field with either formaldehyde (light and Confocal microscopy) or glutaraldehyde (Transmission Electron Microscopy). These included flat intertidal, crusty pustular, flat granular, and dendritic mats. We were particularly interested in determining whether a small coccoid cell, abundant in the flat granular calcifying mats, was either a degrading cyanobacterium (i.e. Entophysalis) or a eukaryotic microalga. Although certain cellular details were seen with light and Confocal microscopy, TEM, revealed the presence of a pyrenoid and

starch granules, indicating this small 8 m in diameter coccoid was an alga. The flat intertidal mats had both abundant filamentous and coccoid cyanobacteria, as determined by their photosynthetic membranes (i.e. thylakoids). This study further established the utility of TEM in identifying microbial species in these complex communities.


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81 The effects of glucose on mitochondrial amidoxime reducing component 2 (mARC2) expression in HepG2 cells Modi, Priyesha; Bradley, A’Doriann; Sun, Bin; Gladwin, Mark; and Sparacino-Watkins, Courtney Vascular Medicine Institute University of Pittsburgh Mitochondrial amidoxime reducing component 2 (mARC2) is a molybdenum-dependent enzyme with an unknown function. Previous publications report that nutritional stimuli change mARC2 levels. Glucose stimulates mARC2 expression in cultured hepatocytes. High fat diet (HFD) feeding increases hepatic mARC2 protein levels in mice, while fasting lowers mARC2 protein levels in the livers of fasting humans, rats, and mice. Additionally, knocking-down mARC2 expression in adipocytes alters intracellular lipid content. Proposed functions of mARC2 include NO-signaling, detoxification, and lipid metabolism. Our hypothesis is that mARC2 regulates mitochondrial lipid oxidation. The goal of this research project was to establish a cell model to test this hypothesis. We measured the effect of elevated glucose and lipids on mARC2 protein levels in HepG2 cells. HepG2 cells were selected because hepatocytes are abundant in mARC2. This presentation will show the effect of low glucose, high glucose, no glucose, and palmitic acid on mARC2 expression in HepG2 cells.

82 Efficient Reduction of Human Cytoglobin and Neuroglobin Mediated by Cytochrome b5 Reductase-4 (CYB5R4) Cunningham, Onaje R; DeMartino, Anthony W; Tejero, Jesus Vascular Medicine Institute University of Pittsburgh Cytoglobin (Cygb) and Neuroglobin (Ngb) are heme-containing, hexacoordinate proteins, which is in equilibrium with an active pentacoordinate form. The molecular functionality of both proteins has not been firmly established, however, both globins display redox signaling properties by means of nitric oxide (NO) and nitrite metabolism. When reduced, these globins can bind oxygen and rapidly react with NO generating nitrate and dampening NO signaling. Conversely, in hypoxic environments, Cygb and Ngb bind nitrite and reduce it to NO. In order for such oxidoreductase activity to occur, an efficient physiological reduction system must be present to generate the active ferrous forms. CYB5R4 is localized in cells that also contain Cygb, and we suggest that it fulfills a role as the physiological reducing system for both Cygb and Ngb. Our obtained rate constants for electron transfer from CYB5R4 to Cygb and Ngb suggest a strong role as a physiological reductant of these globins.

83 The Mechanistic Study of a Novel Compound Hanna, Marianne; Hejnosz, Sarah; Aley, Paige; Dr. Thomas Montgomery* Department of Chemistry and Biochemistry Duquesne University The goal of this research is to reduce the chemical community’s collective dependence on precious metal catalysts and investigate novel chemical reactions. This research was aimed to study nickel catalysis in forming allenes in a bimolecular system. During the study a novel compound was formed instead of the desired substituted allene. The research transitioned to optimizing the conditions of the novel compound. By varying the bases, solvents and temperatures, and propargyl groups we are developing a better understanding of the system.

84 Towards efficient Ni-Fe/C catalysts for oxygen evolution in alkaline electrolytes Margaret Orr, Rituja Patil, James McKone Chemical and Petroleum Engineering University of Pittsburgh Alkaline anion-exchange membrane electrolyzers are promising owing to their noncorrosive environment, enabling the use of non-precious metal catalysts. Practical implementation of these electrolyzers is hindered by high overpotentials for the oxygen evolution reaction (OER). We are therefore studying Ni-based binary catalysts with a goal of creating a better OER catalyst for an alkaline system. We synthesized NiFe alloy nanoparticles on an oxidized carbon support using a wet-impregnation technique. Systematic variation of carbon and Fe content in the NiFe/C catalysts showed that catalysts with a 60:40 ratio of NiFe and 33% carbon content provided optimum onset potential for OER. Catalysts with this ratio of NiFe achieved an overpotential of 270 mV at 10 mA.cm2, 30 mV lower than catalysts with lower Fe content. To mimic practical systems, the performance of these catalysts was tested in concentrated electrolytes and at elevated temperatures.


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85 Morphologies of post-starburst galaxies in the SQuIGGLE survey Krofcheck, Emma; Setton, David; Bezanson, Rachel Department of Physics and Astronomy University of Pittsburgh At present, the mechanisms that lead to the cessation of star formation in a galaxy (known as “quenching”) are poorly understood. The SQuIGGLE survey is a multi-wavelength study of post-starburst galaxies, designed specifically to study quenching in galaxies. In this study, post-starburst galaxies identified in the SQuIGGLE survey were matched with resolved images from the HSC survey. Sersic surface brightness profiles were fit to these images using GALFIT. The fits were visually analyzed and flagged based on the quality of the fit. Of the 93 galaxies that were fit, 63 were categorized as good fits. The remaining 30 were analyzed to see if a better fit was possible (e.g., by adding a second Sersic profile) or if tidal features made the galaxy difficult to model with a Sersic profile. These tidal features are indicative of galaxy mergers and may suggest a link between merging and quenching.

86 GC-MS of the Nonvolatile Compounds in Secondary Metabolites Parr, Zach University of Pittsubrugh Rose Periwinkle (catharanthus roseus) is commercially grown in Hainan Providence of China. The flower is known to produce anticancer vinca alkaloids. Recently it has been discovered that Perwinkle is host to four diaporthe endophytes that produce volatile bioactive compounds. To investigate if the diaporthe produce nonvolatile secondary metabolites, Solid Phase Extraction was used to obtain the organic material from the growth broth. Gas Chromatography with Mass Spectrometry was used to characterize the compounds present in the broth. The four different endophytes produced different compounds based upon retention times. The number of metabolites per strain ranged from 10 to 20. Peaks areas reveal the strains produce varying degrees of metabolites in the range of .46 g/L-.06814 g/L. The NIST library searches of the fragmentation patterns provides potential identities of the nonvolatile compounds. Although similar to the volatile compounds, the nonvolatile compounds appear to be unique.

87 Time Studies on Explosive Threat Compounds Using Paper Spray Ionization Brigham Karlik Dr. Van Stipdonk Duquesne University Mass spectrometry remains one of the most sensitive and selective measurement tools for small molecules such as explosive compounds. Spices such as vanillin, cumin, and cinnamon can be used as explosives and additives in improvised devices. Each of these compounds contain an aldehyde functional group, which can be difficult to identify when using paper-spray or other soft ionization techniques. To improve their detection, aldehydes were derivatized to an imine by a condensation reaction using an amine. Peroxide based explosives are also commonly used in improvised devices. Dicumyl peroxide and benzoyl peroxide were both studied as “model” compounds. In this study, time trials were conducted on compounds containing either the aldehyde or peroxide functional group to determine if degradation or change in their detection would occur over time. Paper spray ionization was used to determine if it would be an effective approach for the characterization of such compounds using swipe samples.

88 Understanding symptoms in patients with ovarian cancer: use of online health communities and a graph-based database Niyu, Harleigh1, Lee, Young Ji2,3 [1] Department of Mathematics and Computer Science, Duquesne University [2] Department of Health and Community Systems, School of Nursing, University of Pittsburgh [3] Department of Biomedical Informatics, School of Medicine, University of Pittsburgh Background: Ovarian cancer patients suffer from symptoms.1 Many patients describe their symptoms on online health communities (OHC),2 yet, no studies have utilized the information from OHCs to understand symptoms. Our goal is to visualize symptoms-related information from OHCs using a Graph-Based Database. Method: The data was from the OHC of the American Cancer Society written from 1/2006 to 3/2016.3 As a pilot study, we randomly selected 24 postings that described “nausea” and manually annotated them in four concepts: symptoms, treatments, results and other medications. After annotation, each concept was entered as a node in the Neo4j,5 an open-source graph-based database, allowing us to visualize data in an easily understood manner. Result: 28 nodes and 51 relationships were established to construct the database. Conclusion: OHCs and graph-based database is an innovative way to understand symptoms. We will apply NLP to expand our annotation and extract information from the larger unstructured text.


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89 A new spectrophotometric assay for malate dehydrogenase activity Sipko, Emily; Seybert, David W. Department of Chemistry and Biochemistry Duquesne University Use of protein crowders in enzyme kinetic studies enables crowded in vivo cell environments to be mimicked in vitro. Conventional UV-spectrophotometric determination of NAD(H)-dependent dehydrogenases at 340 nm induces a limit on the usable concentration of the model crowder bovine serum albumin (BSA) due to high background absorbance. This project focuses on a new assay that allows for enzyme activity to be measured at 450 nm, thus enabling higher BSA concentrations to be investigated. Water-soluble tetrazolium salt-8 (WST-8) is reduced stoichiometrically by NADH to produce a formazan product absorbing at 450 nm. NADH standard curves consistently yielded higher extinction coefficients for the formazan compared to published values. Introduction of BSA produced biphasic first-order kinetics for formazan formation, reducing the rate of the rapid phase in a concentration-dependent manner. Preliminary results validating the application of this new assay with the enzyme malate dehydrogenase in the presence of BSA will be presented.

90 3D Bioprinting of hPSC derived Pancreatic Islet Organoids. Erdogan, Remziye Department of Chemical and Petroleum Engineering University of Pittsburgh 3D Bioprinting holds the potential to revolutionize the field of regenerative medicine by enabling the generation of organs of desired configuration. For example, extrusion-based Bioprinting is a pneumatic system by which living cells suspended in bioink are printed into a scaffold for future growth. However, 3D printing of hPSCs (human pluripotent stem cells) is still in its nascent state, which needs to be developed further for its application in regenerative medicine. In this project we are developing procedures to enable 3D printing of hPSC derived islet organoids. The hPSCs will be cultured and differentiated into islet organoids following previously established procedure. The organoids will be subsequently embedded in the bioink and printed in strands of desired configuration to enable adequate nutrient transport while increasing the ‘packing density’ of the organoids. The resulting bioprinted configuration can be implanted for in-vivo studies, or loaded in a perfusion device for disease modeling applications.

91 Developing a new constraint-based method for causal discovery Fuccello, Ashlynn1-2; Raghu, Vineet3; Yuan, Daniel2; Benos, Panayiotis2-3

[1] TECBio REU 2019, University of Pittsburgh [2] Department of Computational and Systems Biology, School of Medicine, University of Pittsburgh [3] Department of Computer Science, University of Pittsburgh Probabilistic graphical models (PGMs) are a key tool for modelling biological systems. These models provide a straightforward and mathematically robust representation that allow us to discover probabilistic dependencies and, in directed graphs, make causal inferences about the data. PCStable is one popular causal discovery method that produces a directed graph from data. We found that this method does not leverage techniques that efficiently learn the moralized graph. Presented here is a new causal discovery algorithm that improves upon PCStable by first employing the MGM algorithm to produce a moralized graph from data and then pruning and orienting the moralized graph with an optimized method to produce the directed graph. This approach increases the efficiency of PCStable by reducing the number of conditional independence tests between variables in the graph. It improves the computational speed of causal discovery without sacrificing graph prediction precision and recall.

92 Myoglobin regulates skeletal muscle cell proliferation Juliet Okorie4, Krithika Rao1, Sruti Shiva1,2,3

1Vascular Medicine Institute, 2Pharmacology and Chemical Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, 3Center for Metabolism and Mitochondrial Medicine, University of Pittsburgh School of Medicine, Pittsburgh, Pennsylvania 15261, and 4Johns Hopkins University The heme protein myoglobin is expressed in skeletal muscle cells and is known to store oxygen and transport it to mitochondria in hypoxia. Our group and others have uncovered novel functions for myoglobin. Recently, we have shown that abnormal expression of myoglobin in cultured breast cancer cells significantly decreases their proliferation rate by upregulating mitofusin proteins, which regulate mitochondrial dynamics and cell cycle progression. However, it is unknown whether endogenously expressed myoglobin regulates skeletal muscle cell proliferation. We hypothesized that removal of endogenous myoglobin from skeletal muscle cells would increase their proliferation rate. To test this, we cultured C2C12 myocytes and transfected them with siRNA to silence myoglobin. siRNA decreased expression of myoglobin and mitofusin proteins compared to scrambled controls. Furthermore, C2C12 cells lacking myoglobin expression proliferated more quickly. These data suggest that myoglobin regulated skeletal muscle proliferation rate and may have implications for both physiological and pathological muscle growth.


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93 Doublet Identification in scRNA Sequencing Data using Variational Autoencoders Campbell, Kiersten and Kostka, Dennis TecBio REU, Department of Computational and Systems Biology and Department of Developmental Biology University of Pittsburgh Single-cell RNA sequencing (scRNA-seq) allows researchers to quantify the transcriptomes of millions of cells individually, a revolutionary breakthrough in modern experimental biology. Though immensely powerful, high instance of technical noise in scRNA-seq data can reduce the value of subsequent analysis. For instance, doublets represent cases where two or more cells are incorrectly processed as a single cell. Presence of these “noisy” data points bias scRNA-seq data and can lead to spurious discoveries of novel cell types, for example. This project implements a combined binary classifier and variational autoencoder (VAE) framework to identify doublets and, at the same time, address other noise targets, such as dropout and overdispersion. We assess the model’s noise reduction and doublet detection performance on datasets containing experimentally annotated doublets. Overall, this work represents a comprehensive method for fast scRNA-seq data processing to improve the accuracy of biological research to come.

94 Understanding molecular evolution through comparisons between various human and chimpanzee semenogelin protein fragments

Modi, Raahi M.; Johnstonbaugh, Hannah Z.; Jensen-Seaman, Michael I. Department of Biological Sciences Duquesne University Reproductive proteins are among the most rapidly changing proteins in mammals, and therefore allow us to study molecular evolution, as even closely related organisms can vary tremendously in their sequence, structure, and function of these proteins. This variability can be the result of the difference in mating patterns between species, in this case chimpanzees and humans. One such gene, semenogelin 1 (SEMG1), codes for a protein that influences the coagulation of ejaculated semen in primate species. In order to understand the function of this protein, we cloned amplicons of varying lengths from SEMG1 into an E. coli expression vector, transformed these constructs into competent cells which are optimized for human protein expression, to then produce recombinant fusion proteins for further study in functional enzymatic assays, in order to understand the nature of the selection pressures driving the rapid evolution of these proteins in humans and our closest relatives.

95 Analysis of CRISPR-based chromosome labeling with computer vision and machine learning techniques Haus, Erin Department of Computational and Systems Biology University of Pittsburgh Bright-intensity spot detection methods for microscopic image analysis provide important tools for domains of biology research that use fluorescent protein labeling to track various species of interest. Current detection methods rely on user input of image attributes such as spot size and signal-to-noise ratio (SNR) for analysis, rendering such analyses inefficient and unable to be automated. These methods also exhibit poor accuracy during analysis of low SNR images. We present a dual approach to improve the performance of spot detection methods through (i) expansion of existing algorithms to autonomously predict image attributes for analyses and (ii) development of a convolutional neural network to perform accurate spot detection analysis in images under low SNR constraint, amongst other image heterogeneities. As a result of the automation that our approach introduces to these analyses, the process can be performed via cluster computing, exponentially increasing the speed of spot detection in large image datasets.

96 Connecting Spatial Proteomics to Cancer Patient Outcomes 1,2Andersen, Chris; 1Choudhary, Om; 1Furman, Samantha; 1Parvatikar, Akash; 1Chennubhotla, Chakra 1TECBio REU in Computational and Systems Biology, University of Pittsburgh 2University of Puget Sound The heterogeneity of cancer, while well documented, is largely ignored in cancer studies in favor of oncogene-focused approaches. Recent studies in solid tumors have demonstrated the pivotal role that spatial relationships between cells in the tumor microenvironment can have on tumor progression. Using a novel platform for interrogating spatial relationships and a 432-member cohort of colorectal cancer (CRC) patients, we have correlated spatial proteomic data, consisting of more than 50 known CRC biomarkers, with the recurrence of cancer in a given patient after five years. These results reveal that the spatial relationships between cellular phenotypes in the tumor microenvironment can influence the recurrence of CRC.


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97 The introduction of genomic biomarker tests for breast cancer Rivera Plata, Isabel; Day, Roger Department of Biomedical Informatics University of Pittsburgh Biomarkers measure some aspects of disease to support clinical decisions. In the early 2000’s, two gene expression-based biomarker tests, Oncotype DX and Mammaprint, were developed as prognostic assays for breast cancer with low risk of recurrence, to reduce unnecessary overtreatment with chemotherapy. We automated the extraction of 407 relevant articles from PubMed into R via XML, did a stratified random selection of 218 articles, transferred their PubMed identifiers into a Google sheet, and developed a data dictionary. Using the sheet, we catalogued the article features of interest manually. Our main features of interest were the focus questions (e.g. clinical benefit vs economics vs doctor behaviors), study types (e.g. clinical, lab, or computational), and effect measures. We summarized the features’ patterns across time and the differences between the two tests. We detected several examples where our personal judgments of classifications were correct in which an automated “bag-of-words” method would be incorrect.

98 Identifying Beta Bisabolol in Fungal Strains Feldman, Gabrielle , Iuliucci, Robbie Department of Chemistry Washington & Jefferson College From Catharanthus roseus, a plant species grown in the Hainan province of China, fungal strains were discovered to produce bioactive compounds. By genetic testing, Dr. Yan and his team from Beijing’s Chinese Academy of Forestry identified the endophytes to be from the diaporthe genus. Through the use of gas chromatography and mass spectrometry, the organic compounds were characterized. One fungal strain produces unusually high amounts of a single compound, which was possibly identified as beta bisabolol from the GC-MS data. The chromatography information estimates the strain creates 0.68 g of beta bisabolol per liter of growth medium, which is a staggering amount compared to the typical 50 ug/L. Beta bisabolol has the potential to be used a biofuel due to its volatility and in cosmetics because of its anti-inflammatory properties.

99 Single-cell regulatory network inference in Peripheral Blood Mononuclear Cells Gil, Louis1; Osmanbeyoglu, Hatice Ulku2

[1] Department of Computer Science, University of Puerto Rico Rio Piedras [2] Department of Biomedical Informatics, University of Pittsburgh Single-cell RNA-seq data allows us to further understand mechanisms driving cellular heterogeneity. A gene regulatory network (GRN) describes the relationship between transcription factors (TFs) and their target genes. GRNs are required to understand normal physiology as well as disease condition. We can infer cell-specific GRNs utilizing single-cell RNA-seq data. However, scRNA-seq data is known to have a high transcript dropout rate, especially when considering genes that have very low expression such as TFs. In this study, we used a computational framework called Inferelator based on Subset Bayesian Regression model to predict GRNs and transcription factor activity (TFA) using TF target gene expression and cisregulatory sequence information. We applied this method to peripheral blood mononuclear cells which are specialized immune cells originating from hematopoietic stem cells whose gene expression have been heavily studied in the past. Our analysis identified cell-type specific TFs in peripheral blood.

100 Measuring the Cosmological Evolution of Heavy Elements in the Universe Richie, Helena Department of Physics & Astronomy University of Pittsburgh Light elements like hydrogen and helium form within the first 20 minutes of the Big Bang. Heavier elements, often referred to as metals by astronomers, form as a result of stellar nucleosynthesis. These metals can be observed and measured in cosmologically distributed gas using the absorption lines they produce in the spectra of bright background quasars. Our goal is to compile a database of existing individual measurements of these absorption systems. With this, we will perform an analysis to determine if the calculated cosmic mean neutral-gas-phase metallicity of the Universe suffers from a systematic error due to observations of a biased sample of absorption-line systems.


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101 A Rule-Based Model of Phosphoinositides in T Cell Signaling Araki, Stephanie; Aggarwal, Kunal; Faeder, James TECBio REU 2019 Department of Computational and Systems Biology University of Pittsburgh School of Medicine Phosphatidylinositol (PI) can be phosphorylated to form phosphoinositides including PIP, PI(4,5)P2 and PI(3,4,5)P3 that are involved in a range of biological processes. In T Cells, phosphoinositides regulate a number of pathways downstream of the T Cell Receptor (TCR), most notably the AKT/mTOR pathway, and consequently impact T Cell activation, differentiation, and survival that are critical to prevention of autoimmune and inflammatory diseases. Recent studies have established qualitative computational models of PIP regulation by the TCR. Using a rule-based modeling approach, we propose a quantitative computational model of phosphoinositide signaling in response to stimulation by the TCR and its co-receptor, CD28. Our model demonstrates that PIP3 signaling is sensitively regulated by SH2-containing inositol phosphatase (SHIP) and phospholipase C gamma

(PLC𝛾) as well as TCR and CD28 signal strength. Collectively, this work provides a computational model of PIP dynamics downstream of the TCR that can be employed in future T Cell signaling studies.

102 Creation of Gain Maps from Multi-Anode Photomultiplier Tubes (MA-PMTs) for a Ring Imaging Cherenkov Detector (RICH) Waymond Smoot, Dr. Benmokhtar, Asia Parker, Emily Matthews, Alyssa Gadsby, Nicolaus Trotta Physics Department Duquesne University The ring imaging Cherenkov detector at the Thomas Jefferson laboratory is currently being used for sub-atomic particle identification. The experiment is measuring the contribution of the strange quark and anti-strange antiquark to the spin of the proton. To do this, CEBAF accelerator will accelerate high energy electrons onto polarized proton and deuterium targets, scattering them using semi-inclusive deep inelastic scattering. Cherenkov radiation will be created from this scattering event via the usage of aerogel radiators. The off coming radiation gets detected by highly sensitive electronics called photomultiplier tubes, which multiply the initial photoelectric signal. The electronic gain of this signal can be calculated from the difference between the SPS's mean value and the electronic noise of the PMTs. My task is to map the gain of each channel within an array of Hamamatsu 12700B MA-PMTs. This will be done through the usage of C macro files to analyze data from ROOT data files. The gain from the test data will be calculated and this will be mapped to the X and Y bins of a 2-dimensional graph. Additional plans include the construction of a loop that retrieve data from several test runs and generalize the method to future data.

103 CPAP ADHERENCE IS LOWER IN MINORITY PREDOMINANT NEIGHBORHOODS. Carmona, Emely; Nouraie, S. Medhi; Patel, Sanjay R. Department of Medicine University of Pittsburgh Continuous positive airway pressure (CPAP) is the primary treatment for sleep apnea but adherence is suboptimal. We used nationally representative data to assess racial differences in adherence. Mean 90-day CPAP use adjusted for age and sex was calculated for all patients starting CPAP with a Philips Respironics device between November 2015 and August 2018 with valid age, sex, and zip code data. For each zip code, proportion of blacks, Hispanics, and college educated were obtained from the 2017 U.S. Census. Linear regression was used to assess the association of race and CPAP adherence at a zip code level. Each 10% increase in proportion of blacks and Hispanics was associated with a 0.12 h (95% CI 0.11-0.13) and 0.13 h (95% CI 0.12-0.15) decrease in CPAP usage respectively. Adjustment for education did not change this relationship. CPAP adherence is lower in neighborhoods with higher proportions of black and Hispanic residents.

104 Nonplanarity of the “4H” Catalytic Configuration in Thiourea Organocatalysis Latawiec, Elisabeth; Recznik, Mark A.; Evanseck, Jeffrey D. Center for Computational Chemistry and Department of Chemistry and Biochemistry Duquesne University, Pittsburgh, PA 15282 Dual hydrogen-bond donor (DHBD) organocatalysts, such as chiral thiourea complexes, are well-established enantioselective organic catalysts. Recent studies suggest DHBDs form a stereodifferentiated environment to deliver high selectivity and rate. However, the structural details of how two catalytic units deliver stereoselectivity and efficiency through anion-binding are not well understood. QM computations using Stewart’s PM6 semiempirical method were performed to scan soft dihedral angles of catalyst monomers. Dimer structures were formed by combining individual catalytic units in permutations using various catalyst conformations and complex configurations. The oxocarbenium ion was implemented to investigate SN1 and SN2 mechanistic possibilities. We report the effect of dispersion corrections on the PM6 method. Further, we discuss how noncovalent aryl interactions influence the nonplanarity of the “4H” anion-binding configuration to favor enantioselectivity. Our efforts analyze the physical underpinnings conducive to a stereospecific environment, providing a first-time understanding of how structure influences DHBD catalysis.


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105 The Effects of Pre-Loading Internal Standards and Storage Time on Recovery of Amphetamines Cook, Amy E; Cawley, Hannah M; Wetzel, Stephanie J Department of Chemistry and Biochemistry Duquesne University Toxicological analysis requires high precision and high accuracy sample preparation. Streamlining sample preparation makes the process more efficient and cost-effective in laboratories. Specifically, pre-loading deuterated standards to later integrate into Solid-Phase Extraction (SPE) could cut out time-consuming steps in sample preparation. In these experiments, recoveries of amphetamines for several storage times were compared using various materials and SPE cartridges pre-loaded with deuterated standards. Six different possible materials were evaluated. Fresh samples using no pre-loading technique were prepared as a control, and Liquid Chromatography-Mass Spectrometry was used to determine recovery for all samples. The fresh samples were hypothesized to have the best recovery, with the pre-loaded SPE cartridges second best and decreasing over time. Out of the internal standard application materials, nylon was hypothesized to produce the best recovery.

106 The neuroactive effects of amphibian skin peptides Slater, Tasia E; Woodley, Sarah K. Department of Biological Sciences Duquesne University Amphibian skin is a rich source of bioactive compounds with therapeutic potential. Amphibian skin is full of granular and mucous glands which secrete an array of substances including peptides. The antimicrobial properties of amphibian skin peptides have been well studied, but less is known about potential neuroactive properties. We hypothesized that salamander skin peptides function as pheromones and activate sensory neurons of the olfactory system. Peptides were collected from salamander skin and purified using solid phase extraction. Salamanders were treated with either purified skin peptides, vehicle, or a positive control (courtship pheromone). Tissue containing the olfactory epithelium was cryosectioned and activation of sensory neurons by peptides was visualized using immunohistochemistry. Results are pending. In conclusion, our study of the neuroactive properties of salamander skin peptides will allow for further understanding of both the function of skin peptides and of salamanders as a whole.

107 Causal Discovery Algorithm Evaluation on Real Data: Successes and Challenges Brown, Keyaira Department of Computer Science, Lincoln University (working with Kun Zhang, Department of Philosophy, Carnegie Mellon

University）

There exist many causal discovery methods to learn the causal structure from observational data; however, there are relatively few real-world benchmark data sets available to evaluate their performance, which has been an obstacle in the field of causal discovery. In the project, we collected several real data sets in different disciplines and analyzed them with widely-used causal discovery methods. Through Tetrad we used PC, FCI, and LiNGAM to estimate the causal structure, with data preprocessed such that their dependence relations look close to linear. On the Co2 and Global Temperature data between 1880-2011, we found that CO2 is likely to be the cause of temperature. Hospital Inpatient Discharges focused on five datasets, in the NorthWest region using the highest, average, and lowest datasets. We believe that such evaluation studies have the potential of stimulating new, more practical causal discovery methods.

108 Patterns in genetic variation of candidate genes that may contribute to high-altitude adaptations in snow leopards Plasynski, Julia1; Calgano, Jamie2; MaCar, Dave3; Pulugulla, Sree; Galson, Deborah4; Auron Philip3; Janecka, Jan E3. [1] Washington & Jefferson College [2] Chowan University [3] Department of Biological Sciences, Duquesne University [4] University of Pittsburgh The threatened snow leopard (Panthera uncia) occupies high-altitude mountains throughout Central Asia and the Tibetan Plateau. The snow leopard metapopulation is broken into three proposed subspecies that each occupy a different breadth of elevational zones, leading to varying levels of available oxygen. However, it is not known if there are differences in allele frequencies for genes that contribute to high altitude adaptation between subspecies. Two genes, EGLN1 and EPAS1, are responsible for regulating the response of cells to hypoxia, and both have mutations in snow leopards that are potentially adaptive. Here we investigate the differences in allele frequencies for EGLN1 and EPAS1 in a lower-altitude Mongolian snow leopard population (8,000-10,000 feet abs) with a high-altitude population in Pakistan (12,000-15,000 feet abs). PCR amplicons were barcoded and sequenced on the Illumina MiSeq and genotypes scored for both genes using the CLC Genomics Workbench. We hypothesize the allele frequencies differ based on the elevation, leading to functional differences between the subspecies. Understanding these adaptive differences will enable better predictions regarding the response of snow leopards to climate change alterations that shift habitat and prey to different elevational zones.


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109 Screening and Simulating Potential Inhibitors for the CYP4F2 Enzyme Garcia Cruz, Jackelyne; King, Jonathan; Koes, David R. Department of Computational and Systems Biology University of Pittsburgh TECBio REU Program The CYP4 class of enzymes is involved in a variety of processes. One of particular interest is the production of 20-hydroxyeicosatetraenoic acid (20-HETE), a vasoconstrictor in cerebral arteries. Inhibition of CYP4F2 may stop the production of 20-HETE and decrease the acute effects of stroke. The process of finding inhibitors is limited to homology modeling since there is no currently known structure for CYP4F2. In order to circumvent this limitation, we first attempt to identify potential inhibitors by using the leadit program to generate novel inhibitors from a library of existing and commercially available compounds. Molecules are then scored with traditional docking and scoring methods (vina) and with machine learning based methods (gnina, a convolutional neural network-based method). With the results from these methods, we identify a virtual scoring method that has strong correlation with experimental data. We then analyze Molecular Dynamics simulations of these compounds to better understand their behavior.

110 Investigating Stellar and Dynamical Mass of Galaxies Far, Far Away Taylor, Lance with Faculty Mentor: Bezanson, Rachel Department of Physics and Astronomy University of Pittsburgh Galaxies are made of stars, gas, and dark matter. The mass of a galaxy can be measured from the total amount of light that’s emitted by its stars, stellar mass, or from using the movement of the stars within the galaxy, dynamical mass. Stellar mass is the easiest measurement to obtain from galaxies that are very far away. In this project I investigate different methodologies to calculate the dynamical mass of these galaxies, which is important because dynamical mass takes into account dark matter. I examine how the radius within which the movement of stars is measured affects the dynamical mass measurement. The results of this project are vital to understanding galactic evolution.

111 Refinement of GlyR Structure Using Single Cysteine Mutation G23C and Cross-linking Mass Spectrometry Study, Britton Bayer School of Natural and Environmental Science Duquesne University The glycine receptor (GlyR), a neurotransmitter-mediated, inhibitory channel, induces cellular hyperpolarization via influx of chloride ions. Currently, X-ray crystallography has provided the most refined image of the transmembrane protein. Site-specific single Cys-mutations coupled with crosslinking mass spectrometry can elucidate further refinements of its structure and allostery. This will be done by state dependent crosslinking using methanethiosulfonate added to purified and reconstituted G23C human alpha1 GlyR in its resting (no ligand), open (F207G/A288G + IVM), and desensitized (excess glycine) states. Trypsinized peptides are then analyzed using mass spectrometry (MS) to identify either intra- or intermolecular crosslinking within the pentameric protein. Tandem MS further refines distant constraints providing a network of interactions for comparison. Preliminary results suggest allosteric changes between resting and desensitized states. Future work entails analysis of the open state as well as refining mass shifted peptides using tandem MS to gain further insight into GlyR allostery.

112 Effects of Macromolecular Crowding on the Enzyme Aldose Reductase Roman, B.; Seybert, D. W. Department of Chemistry and Biochemistry Duquesne University Enzymes are typically studied in dilute solutions, which do not appropriately simulate the interior of a cell. Since the intracellular matrix contains high concentrations of macromolecules, it is essential to study enzymes in a crowded environment to better understand their function in vivo. Aldose reductase (AR) is an NADPH-dependent enzyme that reduces glucose to sorbitol, and its activity has been implicated as a contributor to diabetic complications. AR is also a representative example of an enzyme that undergoes conformational changes during catalysis. AR was purified from rabbit muscle using ammonium sulfate fractionation, followed by ion exchange and gel filtration chromatography. Purified enzyme was used in kinetic assays containing bovine serum albumin (BSA) as a model crowding agent and reaction rates were measured by monitoring changes in NADPH concentration at 340 nm. Increasing BSA concentrations resulted in a decrease in both the Vmax and Km of AR for the substrate DL-


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113 Collection of Organic Metabolites from Catharanthus Roseus Using Solid Phase Extraction Mastropietro, Jamie; Iuliucci, Robbie Department of Chemistry Washington and Jefferson College Catharanthus roseus is a plant species native to Madagascar but grown in the Hainan province of China for medicinal purposes. Dr. Yan’s group at the Chinese Academy of Forestry in Beijing isolated four endophytic fungi strains from catharanthus roseus that produce bioactive secondary metabolites. In order to identify the metabolites by gas chromatography mass spectroscopy and nuclear magnetic resonance at Washington and Jefferson College, the organic material had to be transported. Due to the effectiveness and ease of transport by solid phase extraction (SPE), SPE was used to capture the organic metabolites from the aqueous growth medium. The growth medium was passed through carbon-18 bonded silica SPE cartridges. Reverse phase extraction technique with methanol to retrieve the organic material. High performance liquid chromatography was conducted to assess the capturing and retrieve effectiveness of the bioactive organic compounds.

114 Direct Isotope Dilution Mass Spectrometry Quantification of Dried Blood Spot Cards to Identify Drugs of Abuse Moore, Caley1 ; Miller, Logan2; Jamrom, Jeremiah1 ; Kingston, H.M Skip1

1Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh PA 2Shimadzu Scientific Instruments Inc., Columbia MD Duquesne University Drug monitoring is vital for identifying illicit and prescribed medications in patients. The current opioid epidemic warrants the need for such monitoring to improve public health and safety. Therefore, analyte detection at low concentrations is optimal. Isotope dilution mass spectrometry (IDMS) enables quantification in various matrices, such as blood and urine, and improves results by eliminating inherent errors produced by traditional calibration curves. In this study, IDMS was used to quantify an LCMS assay of twenty drugs of abuse in their natural and isotopically enriched states. Optimization parameters and chromatographic analysis yielded extensive MRM transitions and detection limits as low as parts per billion (ppb). Drug viability was demonstrated on dried formats via manual extraction of spiked blood spot cards and further extraction will be performed with spiked bovine blood to identify drug recognition in a biological matrix. Developed methods will facilitate future applications in immediate drug detection for law enforcement personnel.

115 Identification of most valuable protein-protein

interactions through computational analysis Gabriela M.

Lozano[1], Amrita Reddy[2], Kalyani B. Karunakaran[3]and

Madhavi K. Ganapathiraju[4]

[1] Department of Mathematics, University of Puerto Rico Rio

Piedras Campus, San Juan, PR, Puerto Rico

[2] Department of Computer Science, Mount Holyoke College,

South Hadley, MA, United States

[3] Indian Institute of Science, Bangalore, India

[4] Department of Biomedical Informatics, University of

Pittsburgh, Pittsburgh, PA, United States

Computer science methods are producing thousands of

predicted results in the biological field. It would be useful to

identify which of these are most valuable so that they may be

studied in greater detail. Here, we studied this question in

relation to computationally predicted protein-protein

interactions (PPIs). Proteins are large molecules that perform

most of the functions in cells through interactions with each

other. We looked at previously known PPIs each of which has

been reported in a scientific article, and measured the value of

that PPI in terms of the number of citations to that article. We

applied machine learning to predict the ‘value of a PPI’ based

on its characteristics in the PPI network (i.e., based on its

degree and edge centralities) and on biological associations of

its proteins (e.g. pathways, functions). We will apply this

model to rank the computationally predicted PPIs published by

our group previously.

116 Design and test of a low-cost turbidity meter using an LED and a photodiode Ferris, Abigail; Corcovilos, Theodore Physics Department Duquesne University We designed a device to establish a more cost efficient way of testing the turbidity(cloudiness) of a water sample. Using an Adafruit Metro Mini board, a color sensor, an LCD screen, a red LED and a photodiode, we built a device which measured the cloudiness of a sample by measuring the amount of light emitted perpendicular to a monochromatic light source by the process of Mie Scattering. Once the device was properly built, we used milk as a test sample, as the turbidity of milk has been well studied and is less toxic than the standard, formalin. The amount of light scattered by the sample was measured by the color sensor, allowing for turbidity to be measured. Cloudier samples, with higher concentrations of milk, have a higher turbidity, measured in NTU (Nephelometric Turbidity Units). Our device has a much lower cost (about $50) than comparable commercial units (about $1000).


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117 Characterization of Spore-Associated Protein A Assembly onto the Spore Surface and Use of SapA for Protein Fusion for Vaccine Delivery Fleming Hogan, Tiana; Myers, Madeline, Ghosh, Anita, McCormick, Joseph R., Ph.D. Department of Biological Sciences Duquesne University Streptomyces coelicolor has a complex life cycle that involves sporulating aerial hyphae. S. coelicolor has spore associated proteins that are secreted and localized to the spore coat. Previously, recombineering was used to fuse the gene for E. coli ltb to 3’ end of sapA and conjugated into S. coelicolor, and a full length SapA fused to Ltb, as well as a C-terminal truncation of 38 amino acids were shown to be secreted and localized to the spore surface. The goal was to learn more about SapA by characterizing different LTB fusion mutations. Additionally, SapA fusions were inserted downstream of a strong promoter to better increase SapA incorporation in to the spore coat. Currently, we are trying to further characterize the secretion and localization pattern of the SapA-LTB fusion by performing an in frame deletion of codons for a conserved motif (CGSGY) in the SapA protein sequence, and a complete deletion of the gene. The second goal of this project was to create a fusion of Bordetella pertussis toxin to the C-terminus of the SapA protein. With more understanding of SapA secretion and assembly onto the spore surface it could provide a future alternative vaccination mechanism against pertussis.

118 Investigating the effect of a single-nucleotide polymorphism on pre-miR-1229_FL secondary structure equilibrium Then, McKenna; Imperatore, Joshua; Mihailescu, Mihaela-Rita Department of Chemistry and Biochemistry Duquesne University MicroRNAs (miRs) are small, noncoding RNAs that play key roles in cell growth and gene expression. Mature microRNA sequences are cleaved from their premature form by the endonuclease Dicer which favors hairpin structures for processing. Previous studies have demonstrated patterns of dysregulated miRNAs in several neurodegenerative diseases, such as Alzheimer’s disease (AD). AD is the most common form of age-related neurodegenerative diseases, involving memory loss and cognitive decline. Following a genome-wide association study, it was recently determined that miR-1229 was significantly associated with AD. Additionally, the study found that when the premature sequence of miR-1229 (pre-miR-1229_FL) contained a single-nucleotide polymorphism (SNP), more of the mature sequence was produced. Our lab has previously characterized wild-type pre-miR-1229_FL to exist in an equilibrium between hairpin and G-quadruplex structures. We hypothesize in this study that the presence of this SNP (pre-miR-1229_FL_SNP) stabilizes the hairpin structure and subsequently increases the production of miR-1229.

119 The Effect of Calcium and Magnesium Ions on CHO Cell Adherence and Integrin Levels During Serum Reduction Adaptation Skomo, Alec; Wu, Suyang; Rish, Adam; Anderson, Carl A. Ph.D; Drennen, James K. Ph.D Pharmaceutical Sciences Duquesne University The adaptation of Chinese Hamster Ovarian (CHO) cells to suspension for use in bioreactors is significantly accelerated by the addition of Calcium and Magnesium ions to the growth media. Integrin was hypothesized to facilitate cell adherence and subsequent growth, but this study suggested that integrin serves as a health indicator instead, simply correlating with growth and adherence. This study showed that cells expressed a similar level of integrin regardless of being adhered or suspended, meaning cells do not require high levels of integrin to adhere, contrary to expectations. However, in line with expectations, cells grown in media with added Calcium and Magnesium recovered integrin, adhered, and grew faster, while showing overall better health after trypsinization, a process that cuts integrin levels and suspends adhered cells. Overall, Calcium and Magnesium ions influence growth, adherence, and integrin recovery, but integrin does not have a direct effect on adherence.

120 Hydrodynamic Multi-Particle Trapping Jarrett Boyd, Melikhan Tanyeri Biomedical Engineering Program Duquesne University Recent advancements in science and engineering have allowed for trapping and manipulation of individual particles and macromolecules within an aqueous medium using a flow-based confinement method. However, simultaneous contact-free trapping of multiple particles using fluid flow remains elusive. We investigated the feasibility of trapping and manipulating multiple particles using connected planar extensional flows within a microfluidic device. Using Brownian dynamics simulations and a proportional feedback control algorithm, we show that an arbitrary (odd or even) number of particles/molecules can be confined and manipulated at stagnation points of planar extensional flows coupled in series. We further discuss the benefits of this new approach and highlight some of its applications in polymer science, specifically, trapping and stretching a linear polymer with micro/nanoparticles attached at each end. Our study demonstrates the versatility of flow-based confinement and our further understanding of feedback-controlled particle manipulation.


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121 Refining Glycine Receptor (GlyR) Structure in Open State Using Crosslinking Mass Spectrometry (CXMS) with Mutation K6C Cocozza, Lauren; Tomcho, Kayce Alexandra; and Cascio, Michael Department of Chemistry and Biochemistry Duquesne University The glycine receptor (GlyR) is an inhibitory channel found in the nervous system. High resolution crystal structures are available but lack dynamic information of the three allosteric states. Single cystines are inserted into a cys null background (C41S/C298A/C345S) to analyze the resting and desensitized states. Two additional mutations (F207G/A288G) are added to allow ivermectin to bind to the protein for analysis of the open state. Purified, reconstituted GlyR from overexpressed Sf9 cells are attached to a heterobifuntional crosslinker, methanethiosulfonate (MTS) benzophenone, which attaches within close proximity to the inserted mutation. GlyR, after digestion, is analyzed via mass spectrometry to find mass-shifted intra- and intermolecular crosslinked peptides, which are then used to refine its structure. This work focuses on the analysis of the open state using the mutation K6C. Initial results have produced dozens of intermolecular crosslinks. Future work entails refinement of these crosslinks and analysis of resting and desensitized states.

122 The Investigation of Non-Canonical Secondary Structure of the MBNL1 Gene Moses, Aurelia & Mihailescu, Mihaela Rita Department of Chemistry and Biochemistry Duquesne Universirty The muscleblind-like protein 1 (MBNL1) gene has been shown to have implications in myotonic dystrophy (DM), a neuromuscular disease with symptoms similar to those of amyotrophyc lateral sclerosis (ALS). The MBNL1 protein targets specific pre-mRNA sequences and mediates alternative splicing regulation, acting as either an activator or repressor. In myotonic dystrophy, the MBNL1 protein is sequestered by expanded repeat RNA binding sites, leading to the loss of its primary function of pre-mRNA splicing. The formation of alternative secondary structures within the 5’-untranslated region (UTR) of MBNL1 mRNA may be involved in DM pathology by regulating the MBNL1 gene expression and translation. Additionally, the secondary structures of the MBNL1 DNA template and coding strands may have further implications into the mechanism. In this study, we used various biophysical techniques such as NMR and CD spectroscopy, as well as UV thermal denaturation to characterize guanine and cytosine-rich regions within the MBNL1 gene.

123 Biophysical Characterization of G-Quadruplex Structures in hnRNP K mRNA Kelleher, Bryan; Imperatore, Joshua A.; Mihailescu, Mihaela Rita Department of Chemistry and Biochemistry Duquesne University Amyotrophic lateral sclerosis is a progressive neuromuscular disease which degenerates the motor neurons controlling voluntary muscle movement. Currently, there is no known cause, reliable diagnosis, or treatment for the disease. This study attempts to gain a better understanding of a specific biochemical pathway involved in ALS pathogenesis by investigating TAR DNA-binding protein 43 (TDP-43) interactions with heterogeneous nuclear ribonucleoprotein K (hnRNP K) mRNA. TDP-43 has been demonstrated to bind to RNAs which form G-quadruplex secondary structures within guanine-rich sequences. We postulated that hnRNP K forms one or more G quadruplex structures that might be recognized by TDP-43 and we used biophysical methods to characterize two G rich sequences within hnRNP K mRNA, showing that they form G quadruplex structures. .

124 Biophysical Characterization of the Guanine-Rich Region within pre-microRNA-615 Henderson, Hanna, McDougal Keefe, Imperatore Joshua & Mihailescu Mihaela Rita Department of Chemistry and Biochemistry Duquesne University MicroRNAs (miRNAs) are small, non-coding RNAs that play a key role in regulating gene expression. In many types of cancers and neurodegenerative diseases, levels of miRNAs have been shown to be severely dysregulated. MiR-615, which typically functions as a tumor suppressor in healthy individuals, is one such example. Cellular levels of this miR-615 are dysregulated in various cancers, such as liver, lung, and breast cancer as well as lymphoma. In this study, we characterized the formation of a non-canonical G-quadruplex (GQ) secondary structure within a guanine-rich region of the premature form of miR-615 (pre-miR-615_GQ). We hypothesized that pre-miR-615_GQ folds into a G-quadruplex structure, subsequently leading to inefficient processing of pre-miR-615 and decreased levels of its mature miRNA. This sequence was transcribed in vitro, and various biophysical techniques were utilized, such as CD spectroscopy, UV thermal denaturation and gel electrophoresis, to characterize the G quadruplex secondary structure formation.


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125 The Good, the Bad, and the Smelly: Synthesis and Characterization of Secondary and Tertiary Phosphine Oxides Kaycie Malyk, Thomas Montgomery, and Aaron Bloomfield. Department of Chemistry & Biochemistry Duquesne University In recent years, phosphines, including chiral phosphines and

𝛽-aminophospines, have been explored for their impact on asymmetric synthesis, as they can be utilized as chiral catalysts. Secondary phosphine oxides (SPOs) have been utilized as synthetic intermediates for chiral phosphines. In solution, SPOs rapidly interconvert between two tautomeric forms, the reactive P(III) tautomer, and the more favorable P(V) tautomer. Nine unsymmetrical (racemic) SPOs were each synthesized on gram-scale in a single step by the addition of primary phosphines to aldehydes in trifluoroacetic acid under a dry nitrogen atmosphere. After being characterized to assure the desired structure and purity, the

SPOs were reacted with 𝛽-nitrostyrene, using a chiral

squaramide organocatalyst, to produce 𝛽-nitro tertiary

phosphine oxides (𝛽-nitro-TPOs) which can then be reduced

to 𝛽-amino-TPOs or 𝛽-amino tertiary phosphines. Squaramides act as an active catalyst due to their complex organic framework. This poster will discuss the synthesis, characterization, and reactions of SPOs.

126 Benchmarking 15N Chemical Shifts for Hydrogen Bonded Amines in Pharmaceuticals Ankeny, Halie; Iuliucci, Robbie Department of Chemistry Washington & Jefferson College Physiochemical properties of the active pharmaceutical ingredient (API) found in drugs are dependent on their crystal structure. Thus, understanding crystal structure is vital for the pharmaceutical industry. Because many crystalline forms of APIs cannot be analyzed by single-crystal diffraction, the field of NMR crystallography has evolved. To obtain crystal structure from NMR spectral data, accurate computational modelling of the chemical shift is required. Specifically, the amine functional group found in many APIs, like fluoxetine HCl, participates in hydrogen-bonding, which plays a critical role in the crystal structure. In this work, the 15N chemical shift anisotropy of the three fluoxetine HCl cocrystals are presented. The 15N tensors are modeled by DFT to benchmark the 15N chemical shift in hydrogen-bonded amines. Geometry optimizations and chemical shift calculations were performed under the CASTEP code, using the RPBE functional and planewaves. The geometry optimizations included Grimme’s dispersion correction.

127 Organocatalytic Addition of Secondary Phosphine Oxides to Nitroalkenes

Brody, Scott; Coutinho, Naomi; Krinos, Emily; Montgomery, Thomas* Department of Chemistry and Biochemistry of Duquesne St. Mary’s College of Maryland Chiral phosphines are an important class of molecules in organic chemistry. They can act as valuable intermediates for multifunctional catalysts, including chiral phosphine amides and chiral cyclic phosphines, used in Morita-Baylis-Hillman reactions and kinetic resolution of alcohols respectively. In this work the addition of multiple secondary phosphine oxides to trans-β-nitrostyrene was successfully catalyzed by a bifunctional organocatalyst. Where possible, phosphine diastereomers were resolved to yield pure samples of single diastereomers. In further support of this work, the S,S enantiomer of a previously existing catalyst was successfully synthesized, and verified via proton NMR.

128 Progress Towards Non-Addictive Painkillers via Enantioselective 3+2 Cycloaddition to Prepare Epibatidine-like Nicotinic Agonists: Varying Ring Size to Modulate Receptor Subtype Selectivity Forrester, Scott, Hoyer, Reece, Rohde, Jeffrey J.1, Kanzelberger, Mira1, Montgomery, Thomas, Evanseck, Jeffrey D. Franciscan University of Steubenville, Steubenville, OH 439521 Center for Computational Chemistry and Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA 15282

Epibatidine is a frog toxin, that is also a nicotinic receptor agonist, that has the potential to be a non-addictive, non-opioid painkiller. However, two primary hurdles include: the challenging synthesis of the chiral azabicycloalkane cores and achieving nicotinic receptor sub-type selectivity that does not release dopamine. The recently improved “racemic” 3+2 cycloaddition between 1-(tert-butyl)pyrrolidine-N-oxide and trans-stilbene to prepare the epibatidine-like 7-azabicyclo[2.2.1]heptane core in 30% yield allows us to address both. First, computational studies of chiral replacements for the N-tert-butyl group at both the ground state and the transition state are being used to design, rank, and prioritize the solution chemistry replacements for the “enantioselective” 3+2 cycloaddition. Second, computational study of the epibatidine-like products synthesized via the 3+2 cycloaddition with new variations of the N-oxide ring structures from the 3-member ring all the way up to the 7-member ring are anticipated to afford new and unique nicotinic receptor subtype selectivity profiles.


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129 Organocatalytic asymmetric synthesis of novel nitrophosphines Krinos, Emily1, 2 and Montgomery, Thomas, Ph.D.1 1Dept. of Chemistry and Biochemistry, Duquesne University 2Dept. of Chemistry and Biochemistry, Westminster College Bifunctional organocatalysts are critical in the development of highly enantioselective reactions. Using these catalysts, addition of secondary phosphine oxides to nitroalkenes can be accomplished, yielding novel tertiary phosphine oxide products. In the reactions investigated, the enantioselective Michael additions of dialkylnitrophosphines and arylnitrophosphines to trans-β-nitrostyrene were optimized to improve product yield and enantiomeric excess. The presented organocatalytic approach to asymmetric chemistry provides relevant nitrophosphine adducts for the future synthesis of unexplored, multifunctional chiral phosphine organocatalysts.

130 Effects of Solvation on Formyl Hydrogen Bond Formation in Asymmetric Organic Catalysis Makowski, Joseph; Rohde, Jeffrey J.; Evanseck, Jeffrey D. Center for Computational Chemistry and Department of Chemistry and Biochemistry Duquesne University, Pittsburgh, PA 15282; Franciscan University of Steubenville, Steubenville OH 43952 The formyl hydrogen bond is a proposed interaction between a formyl hydrogen and Lewis acid catalyst. This attraction has been found to be responsible for the 72% enantiomeric excess observed in Kenji Koga’s work with asymmetric catalysts, but the effects of solvent have hitherto not been investigated. Lewis complexes that have been observed in crystallographic structures to form formyl hydrogen bonds suggest the importance of nonbond interactions. Both a model (DMF-BF3) and Koga catalysts were explicitly solvated with various numbers and positions of dichloromethane (DCM) and toluene (n=2,4,6,8,10,12). These systems were then energy minimized using PM6, M06-2X, and MP2 methods in Gaussian 16. CHELPG and NBO were then used to determine the effects of charge distribution and orbital effects, respectively. It has been found that solvent is a crucial factor in the determination of observed stereoselectivities. The differences between boron and aluminum catalysts are addressed.

131 4,6-substitued quinazoline derivatives as MEK5 and PI3K competitive inhibitors with respect to ATP Authors: Nichols, Hannah; Patel, Saloni; Bhatt, Akshita K.; Cavanaugh, Jane E.; Flaherty, Patrick T. School of Pharmacy, Medicinal Chemistry Duquesne University Kinases are an important class of enzymes and have been successfully targeted for cancer therapy. Mitogen-activated protein kinases (MAPK) cascades are involved in cell development and growth. Although less studied, the MEK5 pathway contributes to therapy resistance and progression of several cancer types, including triple-negative breast cancer (TNBC), and has been implicated as a regulator of cell survival, apoptosis, and proliferation. PI3K is a lipid kinase central to the AKT pathway. Abnormal hyperactivity of PI3K is seen in multiple cancers. Cross-activation of MEK5 and the AKT pathway recommends dual inhibition for effective therapy. Quinazolines are an effective ATP-site kinase inhibitor scaffold. A series of 4,6-substituted quinazolines were synthesized targeting both the MEK5/ERK5 and PI3K/AKT pathways with pathway inhibition determined by western blot analysis following treatment with the quinazoline compounds. The aim being the discovery of a potent, dual-selective compound to serve as a treatment for triple negative breast cancer cells.

132 Characterization of Histone mRNA / Protein Binding Complexes Using Circular Dichroism Spectroscopy and UV Spectroscopy Thermal Denaturation Shine, Morgan1, 2; Lackey, Patrick E.2; Mihailescu, Mihaela-Rita1

1 Department of Chemistry and Biochemistry, Duquesne University 2 Department of Biochemistry and Chemistry, Westminster College Histone mRNA is the only known metazoan mRNA that does not end in a poly(A) tail; instead, it ends in a highly conserved stem-loop. This stem-loop and stem-loop binding protein (SLBP) control histone mRNA processing, nuclear export, and degradation — all of which are tightly cell cycle regulated. During histone mRNA degradation, 3’ human exonuclease (3’hExo) removes nucleotides from the 3’ end of the sequence and a cytoplasmic enzyme uridylates the RNA to maintain length. Certain uridylated intermediates are preserved in the cell and continue to bind SLBP and 3’hExo, despite undergoing the aforementioned changes. We characterized the binding interactions of the wild-type RNA and a uridylated intermediate to the two key protein binding factors — SLBP and 3’hExo — through circular dichroism spectroscopy and UV spectroscopy thermal denaturation.


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133

Formation of Self-assembled Monolayers on Aluminum Oxide Crystals for Modifying Surface Friction Ethan Taylor1, Min S. Lim1, Ellen S. Gawalt2

1Department of Chemistry, Slippery Rock University 2Department of Chemistry and Biochemistry, Duquesne University Miniaturization of mechanical devices, such as microelectromechanical systems or nanoelectromechanical systems, requires the lubricant film between two moving components to be molecularly thin. Chemical modification of such lubricant molecules could be decisive for the life span of the devices, demanding a complete understanding of how chemical and structural variation of the lubricant layers affect their interfacial properties. The present study employed two self-assembled monolayers (SAMs) formed on single crystalline sapphire substrates; methyl-terminated SAM (hexadecanoic acid) and hydroxyl-terminated SAM (16-hydroxylhexadecanoic acid). Diffuse reflectance infrared Fourier transform (DRIFT) spectra exhibited the formation of highly ordered monolayers with bidentate binding. Friction force microscopy was used to investigate the frictional properties of the surfaces under non-destructive nano-newton force conditions. Results indicate the hydroxyl-terminated SAM had a friction twice that of the methyl-terminated SAM. The methyl-terminated SAM was determined to be more hydrophobic than the hydroxyl-terminated SAM by water contact angle.

134 Biophysical characterization of a uridylated histone mRNA degradation intermediate and its interactions with SLBP Bogen, Matthew1,2; Lackey, Patrick1; Mihailescu, Rita2 Department of Biochemistry and Chemistry, Westminster College1 Department of Chemistry and Biochemistry, Duquesne University2

Histone mRNAs are the only known metazoan mRNA to possess a highly-conserved stem-loop at the 3’ end in place of a polyadenylated tail. Occupied by the stem-loop binding protein (SLBP), all aspects of its metabolism are controlled at this 3’ end. Histone mRNA is trimmed by 3’ human exonuclease (3’hEXO) and uridylated to produce several degradation intermediates. Recent work showed that wild-type and uridylated histone mRNA will bind to SLBP and 3’ hEXO individually and together in a ternary complex, raising further questions about the structure and function of the intermediates in degradation. This study seeks to better characterize histone mRNA in the presence and absence of SLBP using 1 H NMR and fluorescence.

135 Effects of skin peptides on wound healing of Mountain Dusky salamanders (Desmognathus ochrophaeus) Camara, Driss W.1 Emerson, Kyle J2 Woodley, Sarah K.2

1Department of Biological Sciences, Lafayette College, Easton, PA, 2Department of Biological Sciences, Duquesne University, Pittsburgh, PA, Amphibian skin serves as a physical barrier to environmental threats and is rich with glandular secretions that contribute to predator and immune defenses. An unusual process in adult amphibians is their wound-healing ability through a relatively unknown mechanism. We hypothesized that the regenerative abilities of salamanders is facilitated by skin peptides. To test this, skin secretions were collected from salamanders (Desmognathus ochrophaeus), purified using solid phase extraction, and quantified with a BCA assay. Dermal biopsies removed a small circle of skin, and either peptide or vehicle was applied to the wounds every 3 days. Wound area was imaged and analyzed using ImageJ. Preliminary analysis found no effect of peptide treatment on wound healing; however, there was a difference in healing between male and female salamanders. Our study can be used as a baseline in understanding the role of skin peptides in vertebrate wound healing.

136 Utilizing Next Generation Sequencing to Sequence and Classify Marine Cyanobacteria for Drug Discovery Gage Gladysz1,2,3, Al-Muatasim Al Zadjali2, Jan Janecka2, Benedict Kolber2 1Thiel College, Greenville PA 2Department of Biological Sciences and 3CIRCLE Program Duquesne University, Pittsburgh, PA Cyanobacteria are a group of photosynthetic prokaryotes that become well-known in the drug discovery field for their distinct ability to produce useful secondary metabolites. Among these metabolites are compounds that have binding affinity to human proteins such as serotonin receptors. It is believed that these marine cyanobacteria synthesize these metabolites to reduce predation by marine invertebrates. In this descriptive study, we used an Illumina NextGen MiSeq to sequence the 16S rRNA gene from collections of cyanobacteria made in Curacao. This was done to be able to determine and classify the dominant species that may produce active compounds. The 16S gene was chosen due to its reliability of sequence readouts with NextGen sequencing techniques. After the 16S gene was sequenced for our samples, we then created a phylogenetic tree of a specific sample, DUQ0024, that has been shown to have a significant amount of receptor affinity on the dopamine D5 and peripheral benzodiazepine receptor (PBR).


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137 Fractionation and Identification of Secondary Metabolites from P. Pinnata as Sigma-2 Ligands Curran, Caitlyn1; Rague, Andrea2; Nguelefack, Telesphore3; Tidgewell, Kevin1,2 1Pain Undergraduate Research Experience 2Department of Medicinal Chemistry, Graduate School of Pharmaceutical Sciences University of Dschang, Cameroon Duquesne University, Pittsburgh PA The main limitation to treating chronic pain is the lack of effective therapies. Opioids currently provide the best analgesic properties available but misuse leads to over 130 deaths per day. New non-opioid classes of drugs are being researched for this reason. We propose that exploration of P. pinnata extracts, a plant traditionally used in Cameroon for the treatment of pain, will provide novel analgesic compounds. P.pinnata extracts have been screened and found to bind to the sigma-2 receptor. This receptor has been shown to modulate neuropathic pain. Our goal is to isolate compounds from P. pinnata extracts with sigma 2 affinity. To accomplish this, extracts were subjected to chromatographic separation methods (TLC, isolera, HPLC). These purified fractions were then analyzed using spectrometric methods (MS and NMR) to determine the molecules present. Current research including efforts to identify known and novel compounds will be presented.

138 Exploring the Expression of CD11b and CD68 Macrophage Specific Markers in the Chronic Constriction Injury Model of Sciatic Nerve Inflammation Bertovich, Dylan1,2; Stevens, Andrea1,2; Deal, Brooke1,2; Liu, Lu2,3; Janjic, Jelena2,3; Pollock, John1,2 1 Biological Sciences, Bayer School of Natural and Environmental Sciences, 2Chronic Pain Research Consortium, Pittsburgh, PA, 3Graduate School of Pharmaceutical Sciences, School of Pharmacy, Duquesne University. Neuroinflammation from the chronic constriction injury (CCI) neuropathic pain model in rats leads to the infiltration and accumulation of immune cells at the site of injury. Both resident and infiltrating macrophages play a pivotal role in this inflammatory response and are the prominent cells at 12 days post CCI. Anti-CD68, marks phagocytic macrophages, and anti-CD11b, marks chemokine releasing macrophages, are two commonly used antibodies that mark macrophages. An increase in CD68-macrophage staining in sciatic nerve tissue after CCI has previously been established; however, there are no studies examining CD11b-positive macrophages under the same conditions at the site of injury. To observe the expression of macrophages these two stains were used to identify them in nervous tissue, staining was visualized in the sciatic nerve of CCI treated male rats. Co-incident expression was observed in the epineurium, while the CCI rats exhibited greater CD68 positive macrophages in the injured nerve axon bundle.

139 Dopaminergic Regulation in the Dorsal Striatum After Preclinical Cardiac Arrest in Vivo Cano-Rodríguez R1, Bhatia TN1, Sison RC2, DeMarco BA1, Fine DF2, Wagner AK2, Leak RK1. 1Graduate School of Pharmaceutical Sciences, Duquesne University. 2Safar Center for Resuscitation Research, Dept. Physical Medicine and Rehabilitation, University of Pittsburgh Medical Center. In preclinical models of ventricular fibrillation/cardiac arrest, we have shown dramatic increases in synaptic dopamine in the caudoputamen, peaking two weeks after the ischemic insult (Nora et al., 2017 J Neurochem 142:305-322). However, the mechanism underlying the hyperdopaminergia is unknown. The purpose of the present study is to characterize the impact of preclinical cardiac arrest on the striatal expression of proteins involved in dopaminergic regulation. Infrared immunoblotting reveals a downregulation of tyrosine hydroxylase phosphorylation (Ser40), which might reflect negative feedback regulation by excess dopamine. No changes were observed in CREB or DARPP32, both of which lie downstream of dopamine receptor activation, and no evidence for loss of medium spiny neurons was collected. However, we observed a significant decrease in monoamine oxidase B (MAO-B), which metabolizes dopamine into homovanillic acid and other products. We speculate that the loss of striatal MAO-B expression partly underlies the dramatic increase in dopamine in this model.

140 Biophysical Characterization of Mature miRNA-1229 and Analysis of Secondary Structure Crago, Madison1,2,3; McDougal, Keefe1; Mihailescu, Mihaela-Rita1 1Dept. of Chemistry and Biochemistry, Duquesne University 2Biochemistry and Molecular Biology, The Pennsylvania State University 3Neurodegenerative Undergraduate Research Program microRNAs (miRNAs) are short, noncoding RNAs that post-transcriptionally regulate gene expression. The miRNA biogenesis pathway creates two complementary 5p and 3p miRNA strands which can bind to specific mRNAs to regulate protein production. RNAs rich in guanine residues have the potential to form a noncanonical RNA secondary structure known as a G-quadruplex. miR-1229 serves as a biomarker for multiple cancers and was found to be highly expressed in the brain, implicating a role in neurodegenerative diseases such as Alzheimer’s disease and Fragile X syndrome. miR-1229 was experimentally determined to contain a G-quadruplex in its guanine-rich 5p strand. The potential of the miR-1229-5p to form a G-quadruplex and compete with the 5p-3p double stranded duplex may be necessary for miR-1229 to exist in a state in which it can perform its function in the cell. Characterization and analysis were completed by CD spectroscopy, 1H NMR, native PAGE, and UV thermal denaturation.


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141 Analysis of Single-Site Cysteine Mutation, I412C, in Human α Glycine Receptor States to Further Refine Structure and Allostery Engquist, Leah1, 3, Tomcho, Kayce Alexandra2, Cascio, Michael2,3

1Department of Biochemistry, University of Nebraska – Lincoln, Lincoln, NE 2Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA 3Pain Undergraduate Research Experience The glycine receptor (GlyR) is the major inhibitory receptor in the brain and spinal cord. A member of the pentameric ligand gated ion channel superfamily, crystal structures are available but there are still unresolved areas, specifically the C-terminal tail and TM3-TM4 intracellular loop. Further refinement can provide deeper understanding of the molecular mechanism and allow the creation of novel therapeutics to modulate its function. We propose to insert a single cysteine mutation, I412C, into a Cys null background (C41S/C290A/C345S) to study non-conducting states (resting, desensitized) or with F207G/A288G mutations to study the open state. Purified, reconstituted GlyR is crosslinked with a Cys-specific photoactivatable heterobifunctional crosslinker, methanethiosulfonate benzophenone, to produce state-dependent crosslinks. After digestion, mass shifted peptides are analyzed via mass spectrometry to identify inter- or intracellular crosslinks. Initial results show a different crosslinking pattern between the three states, mapping dynamic changes in receptor structure upon channel gating and desensitization.

142 Applications of Medical Chemistry: Discovery of Sigma 2 Ligands from Cyanobacteria as a Potential Drug Therapy Target. David Gomez, Andrea Rague, Kevin Tidgewell Ph.D. Department of Pharmaceutical Sciences Neurodegenerative Undergraduate Research Experience (NURE) Duquesne University Nature is an abundant provider of bioactive compounds. The goal of this study is to identify compounds, from cyanobacteria, that are selective for the Sigma 2 (σ2) receptor. The pharmacological impact of σ2 ligands is not fully understood but they have been implicated in neuropathic pain and triple negative breast cancer (TNBC). Recent work has shown that previously isolated cyanobacterial compounds exhibit selectivity towards σ2 which implies a potential for targeted drug therapy in neuropathic pain and TNBC. To isolate σ2 selective molecules, cyanobacterial samples collected from Panama were extracted and screened against a panel of receptors. From 344 total fractions 29.36% (101) expressed significant σ2 affinity. Sample DUQ0010G was explored due to its notable σ2 affinity and selectivity. DUQ0010G was fractionated through High-Performance Liquid Chromatography (HPLC) and Isolera flash chromatography. Elucidation of compounds from purified fractions was attempted using H’-NMR and mass spectrometry.

143 Extracellular Vesicles as Vehicles for DNA Delivery to the Blood-Brain Barrier to Treat Stroke Hoover, Catherine1; Zhao, Wanzhu2; Dave, Kandarp2; and S Manickam, Devika2

1Department of Chemistry and Physics, Mansfield University, Mansfield, PA; 2Graduate School of Pharmaceutical Sciences, Duquesne University, Pittsburgh, PA Our goal is to develop extracellular vesicles (EVs) as carriers to deliver plasmid DNA (pDNA) encoding for brain-derived neurotrophic factor (BDNF) to the blood-brain barrier (BBB) to treat stroke. EVs are membrane-derived nanoparticles used by cells to transport biomolecules, and we investigated two subclasses: microvesicles and exosomes. Previous work demonstrated that microvesicles derived from human brain endothelial cells loaded with BDNF pDNA greatly increased intracellular ATP levels of human brain endothelial cells (unpublished data). We hypothesize that macrophage-derived EVs loaded with DNA will selectively home to the BBB during the inflammation phase of an ischemic attack. We isolated EVs from RAW 264.7 macrophages by sequential centrifugation and characterized them using a combination of techniques. We transfected cells with pDNA, isolated the pDNA-loaded EVs, and quantified the extent of DNA loading to test their potential as BDNF DNA carriers. Results of these studies will be presented.

144 Dual MEK1/2 and MEK5 inhibition induces mesenchymal to epithelial transition in U87 GBM cells Martin, Jordan1,2,4; Bhatt, Akshita2; Anna, Katie2,3; Cavanaugh, Jane E.2

1Neurodegenerative Undergraduate Research Experience (NURE), Duquesne University, Pittsburgh, PA; 2Department of Pharmacology, Graduate School of Pharmaceutical Sciences, Duquesne University, Pittsburgh, PA; 3Department of Pharmacy, School of Pharmacy, Duquesne University, Pittsburgh PA; 4Department of Psychology, Florida Southern College, Lakeland, FL Glioblastoma (GBM) is an aggressive cancer in the brain and current treatments are targeting the mitogen-activated protein kinase (MAPK) pathways associated with the tumor suppressor phosphatase and tensin homologue deleted on chromosome ten (PTEN). The glioblastoma cell line, U87, is a PTEN mutant, meaning tumor suppression functionality is lost and downstream pathways, such as AKT, ERK1/2, and ERK5, are overactivated. 12 different novel and known inhibitors of MAPK pathways were analyzed in a blind test to determine the effect of inhibition on mesenchymal to epithelial transition (MET) in U87 glioblastoma cells. Considering cell viability and spindle index of each inhibitor, only three showed significance as potential treatments. Performing a scratch assay in the future will evaluate the effect of novel inhibitors on the U87 cells’ ability to migrate for wound closure. This study guides future treatments for Glioblastoma to address inhibitors that induce MET.


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145 α-Synucleinopathy and Aging Exert Distinct Effects on Microglial Activation Eckhoff, Elizabeth A1, Bhatia, Tarun N1, Gongaware, Rachel N1,Dumm, Benjamin1,Luk, Kelvin C2, Leak, Rehana K1* 1Graduate School of Pharmaceutical Sciences, Duquesne University 2Department of Pathology, University of Pennsylvania Lewy body disorders such as Parkinson’s disease are characterized by inclusions containing aggregated, fibrillar α-synuclein. The resulting α-synucleinopathy may spread throughout cells in the brain. Microglia are brain phagocytes that respond to injury and engulf α-synuclein. We report that the introduction of α-synuclein fibrils into CA2/CA3 fields of the mouse hippocampus in vivo increases global brain expression of Iba1, a protein involved in phagocytosis in activated microglia. Fibrils increased Iba1 specifically in CA2/CA3, dentate gyrus, striatum, and substantia nigra, and all these brain regions are known to display α-synucleinopathy in human Lewy body disorders. Although age is the major risk factor for Lewy body disorders, we did not observe any changes in Iba1 expression with normal aging. These findings suggest that Lewy pathology—but not aging—activates microglia and may reflect a natural attempt at slowing α-synucleinopathy transmission between cells.

146 Combination drug treatment of kinase inhibitors J19

(MG-3-81) and Ipatasertib with BRD4 inhibitor CPI203 in

glioblastoma cells

Schottland, Seraina1,2, Wright, Thomas D.2, Bhatt, Akshita2,

Gupta, Mohit3, Flaherty, Patrick T.3, Cavanaugh, Jane E.2

1Department of Psychology, The George Washington

University 2 Department of Pharmacology, Graduate School of

Pharmaceutical Sciences, Duquesne University 3 Department of Medicinal Chemistry, Graduate School of Pharmaceutical Sciences, Duquesne University Glioblastoma multiform (GBM) is an aggressive brain cancer with a poor prognosis of less than 15 months. Genetic aberrations of PTEN, a tumor suppressor for the AKT pathway, and inhibition of epigenetic regulator Bromodomain 4 (BRD4), which regulates proliferation, show promise as treatment options for GBM. This study examined the effects of a novel AKT inhibitor, J19, and a known AKT inhibitor, Ipatasertib, with a known BRD4 inhibitor, CPI203, on cell viability and cellular signaling using MTT assay and western blot analysis in a U87 GBM cell line. Our results indicate that Ipatasertib significantly inhibits AKT in a concentration dependent manner and in combination with CPI203, significantly decreases viability. J19 decreases viability but, in combination with CPI203, produces similar effects to CPI203 alone, indicating a sensitivity to BRD4 inhibition. Inhibitors were added simultaneously, possibly affecting their efficacy. So, future studies will examine the utility of adding inhibitors at different times.

147 Determining the Preferences and Functional Use of Highlighting in Text-To-Speech (TTS) Systems for People with Aphasia Natasha Morales, Sarah E. Wallace (P.I), Anna Saylor, Erica Lapp, Rebecca Bugarelli Speech-Language Pathology Department Duquesne University, Pittsburgh, PA Aphasia is a communication disorder caused by brain damage that impairs one's understanding and use of language, context, and speech expression. Although people with aphasia have impaired reading comprehension, studies show it can improve for some through multimodality features (presentation of written and auditory information) of text-to-speech (TTS) systems. The purpose of the study was to determine participants accuracy and preference when varying one TTS system feature, highlighting. We hypothesize a greater preference for highlighted words as it may facilitate word tracking, contextual understanding, and word decoding. Participants reviewed 36 stories across three sessions and answered multiple choice-questions related to their content. Stories were presented through different conditions involving word-by-word highlighted text, highlighted sentences, and no highlights. Modality preference was measured through ranking and open-ended questions. This project will compare two cases from a larger data set with consideration of demographic factors, language skills, comprehension accuracy, and preferences.

148 Design, synthesis, and testing of new analogs of identified kinase inhibitors that rescue neurotoxicity in a 4R0N zebrafish model of PSP: midostaruin and CAY10622. Taylor, Kimberly S., Gupta, Mohit, Bai, Qing, Burton, Edward A., Flaherty, Patrick T. Department of Pharmacy, Medicinal Chemistry Duquesne University, Pittsburgh PA 15282. Neurodegeneration Undergraduate Research Experience (NURE) Tau protein, when hyperphosphorylated, can from neurofibrillary tangles (NFT’s) in several neurodegenerative diseases including Progressive Supernuclear Palsy (PSP) and Alzheimer’s Disease (AD). A survey of 70 characterized kinase inhibitors identified 2 compounds, midostaurin and CAY10622, capable of reversing neuronal deficits induced in 4R0N Tau transgenic zebrafish. Motor and ocular movement of these transgenic zebrafish was tracked using MatLab to assay phenotypes mimicking PSP, a human disease with 4R0N tau overexpression. Structural variations of midostaurin and CAY10622 were designed, synthesized, and tested in the 4R0N Tau transgenic zebrafish assay with the dual goals of optimizing interactions with suspected kinase targets and improving CNS penetration.


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149 Towards (3-Ethynyl-5-Nitrophenyl)Methanamine as a Valuable Building Block for Preparing Fully Functionalized Small-Molecule Probes for Integrated Phenotypic Screening and Target Identification Drug Discovery Campaigns Templeton, Sage and Lapinsky, David Graduate School of Pharmaceutical Sciences Neurodegenerative Undergraduate Research Experience Duquesne University, Pittsburgh, PA

Fully functionalized small-molecule probes (FFSMPs) can be used in phenotypic screening campaigns to discover bioactive compounds that are amenable to mechanistic characterization and accelerated target identification using advanced chemoproteomics. Specifically, FFSMPs contain one or more structural diversity elements to promote interactions with different protein targets in cells, a protein-reactive functional group for covalent cross-linking to interacting proteins, and an alkyne handle for reporter tag conjugation to visualize and identify cross-linked proteins. Currently, there is a need for FFSMPs with increased structural diversity to discover new drug targets and novel mechanisms of drug action. As a result, we are actively testing if (3-ethynyl-5-nitrophenyl)methanamine can be used to prepare structurally-diverse FFSMPs by 1.) acting as a 1˚ amine input in several isocyanide-based multicomponent reactions, and 2.) arming lead compounds containing either a carboxylic acid, aldehyde, or leaving group. Synthetic progress and potential applications of (3-ethynyl-5-nitrophenyl)methanamine with respect to FFMPs will be presented.

150 Development of a Laser-Induced Fluorescence Platform for Parallel Protein Quantification with Mass Spectrometry Studies. Connor Apa1,3, Theodore Corcovilos1, and Michael Cascio2

Department of Physics1, Department of Chemistry and Biochemistry2, and Pain Undergraduate Research Experience3

Duquesne University

Discovery-based structural proteomics studies, such as cross-linking mass spectrometry (MS), are hindered by the inability to quantify mass ion abundance. Quantifying protein cross-links requires adapting a laser-induced fluorescence (LIF) platform to compliment the elucidation of peptides identified in parallel MS structures. This will be accomplished through fluorescently tagging the primary amines of trypsin digested peptides with naphthalene-2,3-dicarboxaldehyde (NDA), rapidly mixing the reaction on a microfluidics chip, and measuring the emission to generate a unique signature. Before introducing test peptides into the LIF platform, spectrophotometric and fluorometric trial studies were conducted to optimize and normalize the fluorescence of different NDA reacted amino acids. In parallel studies, our laser platform continues to be optimized by physical alignment using a series of mirrors, beam splitters, and filters to maximize signal and reduce noise. After successful quantification of current targets, future studies will improve structural models via simultaneous sensitive LIF quantification and MS determinations.

151 Quantification of CGRP-R in the Central Amygdala Through Combined RNAscope and Immunohistochemistry George, Andrew1, 2, 3; Allen, Heather1, 2; Atherton, Megan1, 2; and Kolber, Benedict1, 2, 3

1Department of Biological Sciences; 2Chronic Pain Research Consortium; 3Pain Undergraduate Research Experience Duquesne University, Pittsburgh, PA

Urologic chronic pelvic pain syndrome (UCPPS) is a condition characterized by intense and burning pain in the bladder, increased frequency and urgency of urination, localized and referred pain throughout the lower body, and anxiety and depression. The central amygdala (CeA) has been identified as a brain region of interest in the bladder pain processing pathway due to its role in both pain modulation and emotional processing. Calcitonin gene-related peptide (CGRP), an established pain modulator, is highly expressed in the CeA, and expression patterns have been shown to change in the context of bladder pain. To identify which cell types CGRP in the CeA acts on, we have combined immunohistochemical staining with RNAscope to co-localize CGRP receptors with cells in the CeA. Using these methods, we were able to 1) quantify CGRP receptors in control and bladder pain mice and 2) identify which cell types express the CGRP receptor.

152 Structural Analysis of Rat Serotonin Transporter Using Crosslinking Mass Spectrometry Gregg, Austin T.1-3, Caridi, Brandon2, May, Henry2, Castellano, Elizabeth2, Cascio, Michael1,2

1Neurodegenerative Undergraduate Research Experience 2Department of Chemistry and Biochemistry, 3Department of Biological Sciences Duquesne University, Pittsburgh, Pennsylvania

The serotonin transporter (SERT) is responsible for the reuptake of serotonin from the synapse to presynaptic neurons. Diminished serotonin levels result in psychological disorders such as depression. Selective serotonin reuptake inhibitors (SSRIs) treat these disorders by inhibiting SERT. However, because of limitations in structural determination, the current understanding of SERT’s structure is unresolved which accounts for off-target interactions produced by anti-depressants. Further refining SERT’s structure can lead to novel therapeutics with increased specificity. To better understand its structure, crosslinking mass spectrometry studies were performed on rat SERT constructs containing only one active thiol, S611C or Y232C. After overexpression, purification and reconstitution, a photoactivatable, cysteine-specific crosslinker was attached at 611C or 232C. Subsequent photoactivation resulted in non-specific crosslinking to local amino acids. After an in-gel digest, mass shifted peptides were analyzed via mass spectrometry to identify nearby sites of crosslinking, allowing further refinement of the apo SERT structure.


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153 Microtubule Stabilization in Lewy Body Disorders Widenhofer, Kayla; DeMarco, Brett; Bhatia, Tarun; Cano, Ruben, Islam, Farhana; Gangjee, Aleem; Leak, Rehana Graduate School of Pharmaceutical Sciences, Duquesne University

The major histopathological hallmarks of Parkinson’s disease are cell loss and Lewy bodies composed of alpha-synuclein protein aggregates. It is known that microtubule networks are disrupted by alpha-synuclein aggregates, but there are no drug therapies that mitigate the negative impact of alpha-synuclein on cytoskeletal stability and cellular function. Therefore, we tested the hypothesis that alpha-synucleinopathy will be reduced by novel microtubule-stabilizing compounds in a preclinical model of Lewy body disorder. Alpha-synuclein fibrils and compound AG161-41 were administered to primary hippocampal neurons in vitro. Blinded measurements revealed that fibril exposure elicited Lewy-like intracellular inclusions, and that this effect was significantly mitigated by AG161-41, as expected. Studies to test additional microtubule-stabilizing compounds and examine the prevention of cell loss are underway.

154 An Agent-Based Model of Pain-Related Neural Activity in the Right Amygdala Majetic, Gabrielle1,4; Neilan, Rachael2,4; Adke, Anisha5; Carrasquillo, Yarimar5 and Kolber, Benedict3,4 1Department of Engineering, Duquesne University, 2Department of Mathematics and Computer Science, Duquesne University, 3Department of Biological Sciences, Duquesne University, 4Pain Undergraduate Research Experience (PURE), Duquesne University, 5National Center of Complementary and Integrative Health, National Institutes of Health

Injury changes the excitability of pain-related neurons within the right hemisphere of the amygdala. An agent-based computational model was created to simulate neural behavior over time and in response to injury. Each agent represents one neuron and is characterized by its protein-expression type (somatostatin or protein kinase C-delta) and spiking frequency (regular or late). During each time step, neurons’ firing rates (Hz) are stochastically updated using probability distributions estimated from data collected in laboratory experiments. A damage accumulation sub-model tracks the damage accumulated by each neuron during injury as the neurons transition from an unsensitized to a sensitized state. Cumulative firing rates of somatostatin and PKC-delta neurons are used to calculate emergent levels of pain attributed to injury. Results demonstrate the model’s ability to predict acute and chronic pain along with neurons’ contribution to pain. Agent-based modelling is a useful tool in studying the relationship between neural activity and pain.

155 Characterization of zymosan-induced bladder pain in adult female mice Babyok, Olivia1,2,3, Allen, Heather1,2, Kolber, Benedict1,2,3 Department of Biological Sciences1, Chronic Pain Research Consortium2, Pain Undergraduate Research Experience3 Duquesne University, Pittsburgh, Pennsylvania

Urologic Chronic Pelvic Pain Syndromes (UCPPS) affect millions and predominate in women. UCPPS symptoms include mild to severe bladder/abdominal pain, anxiety, depression, urinary incontinence, and recurring urinary tract infections. The underlying causes of UCPPS are still unknown, and there are no effective treatments. Zymosan, a protein compound sourced from yeast cell walls, produces an inflammatory response that mimics bladder pain-like phenotypes when injected into the bladders of adult female mice. This pilot study examined the use of zymosan as a method of inducing chronic inflammation in order to study chronic pain in a model more comparable to the human condition. Adult female mice under anesthesia had a 1% zymosan solution injected into the bladder. 24 hours later, anxiety was assessed using the elevated-zero-maze and physiological responses to bladder pain were quantified using urinary bladder distention. Zymosan proved to produce higher physiological responses, but seemed to have no affect on anxiety.

156 Exploring the molecular mechanism of bacterial crowd control through competitions Christian, Bria1; Denk, Jordan1; Mazza, William1; Fleury, Grace2; Gan, Kiley2; Santos, Raziel1; Evans, Anton1; and Kim, Wook1 1Department of Biological Sciences, Duquesne University 2Franklin Regional Senior High School

Biofilms are dense communities of cells in which competition occurs for resources and optimal positioning. Pseudomonas fluorescens colonies spontaneously give rise to mutants that push themselves up and out of densely crowded populations. This is exclusively due to a mutation in the rsmE gene, which encodes for a post-transcriptional repressor of multiple extracellular secretions. We have a library of naturally derived mutants that possess diverse single amino acid substitutions in RsmE, which also vary in secretions. We thus hypothesize that these mutations distinctly affect RsmE’s ability to regulate individual secretions, allowing the cells to overcome crowding. To address this, we conducted a round-robin tournament of rsmE mutants and ranked them based on their relative fitness. The expectation here is that the strength of competition reflects each mutants’ ability to produce more or less secretions.


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157 Comparison of the Presence of Macrophages and COX-2 in Female and Male Sciatic Nerve Tissue After InjuryBahr, Lauren E1,2, Deal, Brooke2,3, Janjic, Jelena M.3,4, Pollock, John. A.2,3. [1] Department of Biology, Eastern University, St. Davids, PA,USA[2] Department of Biological Sciences, Duquesne University,Pittsburgh, PA, USA[3] Chronic Pain Research Consortium, Duquesne University,Pittsburgh, PA, USA[4] Graduate School of Pharmacy, Duquesne University,Pittsburgh, PA, USA

Although females suffer from chronic pain at a higher degree than males, much is unknown about its development and the associated neuroinflammatory response. Recent studies show that there are key differences in the cellular biology of the pain response between males and females. Based on previous work done on males, macrophages are known to play a key role in the inflammatory response. Here we examine the infiltration of macrophages and their production of the cyclooxygenase-2 (COX2) enzyme after chronic constriction injury (CCI) of the sciatic nerve tissue in female and male rats. Anti-CD68 staining confirmed the presence of macrophages in sciatic nerve tissue in association with CCI .This study evaluates effects of macrophage COX-2 inhibition with nanoemulsions (Janjic et all, JNI 2018). A reduction of the infiltration of macrophages and decreased enzyme production is seen here in females and is being evaluated further.

158 Gene expression in the hypoxia pathway in big cats: Understanding the functional differences that contribute to snow leopard high-altitude adaptation Calcagno, Jaime1; Plasynski, Julia2; MaCar, Dave3; Pulugulla, Sree3; Galson, Deborah4; Auron; Philip3; Janecka, Jan E3. [1] Chowan University[2] Washington & Jefferson College[3] Department of Biological Sciences, Duquesne University[4] University of Pittsburgh

The molecular mechanisms that enable snow leopards (Panthera uncia) to live at high altitudes where oxygen availability is reduced are unknown. The snow leopard faces threats including habitat and prey distribution changes brought about by climate change. Research on physiological adaptation to high-altitude will provide insight on how snow leopards may respond to environmental changes that cause upward range shifts. Snow leopards have mutations in two essential genes that control the cells response to hypoxia, EGLN1 and EPAS1. Examining the effects of these mutations on the expression of their downstream genes, including VEGF (capillary growth), EPO (red blood cell production), shed light on their functional effects and provide insight on snow leopard high-altitude adaptation. We compared the expression of these genes in tigers (Panthera tigris), lions (Panthera leo), domestic cats (Felis catus), and snow leopards under normoxic and pseudo-hypoxic conditions. White blood cells from each species were cultured under normal conditions and cobalt-chloride treatments to simulate hypoxia. We then extracted RNA and used qPCR to determine expression levels of 8 hypoxia related genes. The resulting information will contribute to snow leopard conservation efforts by determining expression levels of key players in the hypoxia pathway, and how these may affect the species response to prey and habitat shifts to different elevational zones. This work will also assist in understanding snow leopard health, as overexpression of genes beneficial at high altitudes may cause physiological stress at low altitudes.

159 In Search of Chlorophyll f in Microbial Mats from Shark Bay, Australia Barton, Madison1, Hoffman, Caroline2, Reid, Pamela3, Stolz, John1,4

1Department of Biology, LaRoche University, Pittsburgh PA 2Department of Biological Sciences, Duquesne University, Pittsburgh PA 3Rosenstiel School of Marine and Atmospheric Sciences, University of Miami, Miami FL 4Center of Environmental Research and Education, Duquesne University, Pittsburgh PA

Chlorophyll f is a new chlorophyll discovered in a cyanobacterium from a microbial mat in Shark Bay, Australia. Here, confocal microscopy and fluorescence spectral analysis was used to examine microbial mats from stromatolites of different morphologies (i.e., flat intertidal, cauliflower, and dendritic mats), fixed in the field with formalin. Four different laser lines were used, 408 nm, 487 nm, 560 nm, and 637 nm. Both single emission and composite images were captured using the Nikon Ti2 inverted microscope and A1 system. Images were processed with the NIS Elements software package. Fluorescence emission spectra were captured for all four laser lines using the Nikon A1 system. Although each laser line did generate an image, spectral peaks at 680 nm and 720 nm were only seen with the 637 nm laser. Further, a “control” mat sample, collected from outside the student union at Duquesne University, also showed similar spectral properties.

160 Production of a synthetic substrate to investigate the evolution of a primate prostate-specific enzyme Vee, Samantha; Kahveci, Emine; Almusallam, Ghadah; Jensen-Seaman, Michael Department of Biological Sciences Duquesne University

Among primate species, those whose mating systems include multiple partners and more mating competition experience a rapid evolution of genes involved in male reproduction. Differences in the consistency and viscosity of semen is a trait that varies according to mating system. Following ejaculation, semen coagulates due to protein-protein interactions involving the extracellular SEMG1 and SEMG2 proteins. KLK3 is an enzyme that liquefies these substrates and provides sperm with motility, allowing them to penetrate the cervical mucus and fertilize the egg. In order to test the function of KLK3 from different primate species, it is necessary to create an in vitro assay. The best peptide substrate for KLK3 has the amino acid sequence HSSKLQ. By cloning its coding sequence into a bacterial expression vector we are producing this synthetic substrate as a recombinant fusion protein, which will then be used in characterization assays to study the functional evolution of KLK3.


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161 The Effect of Estradiol on Macrophages Uptake of Anti-Inflammatory Theranostic Nanoemulsions Ward Vanessa1 , Liu Lu2,3 , Herneisey Michele2,3 and Janjic Jelena2,3* 1Department of Food & Animal Sciences, Alabama A&M University, Normal, AL, 35762; 2Graduate School of Pharmaceutical Sciences, School of Pharmacy, Duquesne University; 3Chronic Pain Research Consortium, Duquesne University

Janjic group has developed recently nanoemulsions based delivery strategy that specifically delivers non-steroidal anti-inflammatory drugs (NSAIDs) to macrophages (Janjic et al, JNI 2018; Herneisey, Liu et al, AAPS PharmSciTech 2019). Clinical studies have shown distinct differences in therapeutic outcomes in men and women when treated with NSAIDs. We hypothesized that macrophages as primary inflammation driving cells may be affected by hormonal differences in men and women. Therefore, it is expected nanoemulsion treatment outcomes may show sex differences. Estrogen is one of the two main sex hormones in women. Estradiol has been shown to promote the activation of M1/M2 shift in macrophages, which may impact nanoemulsion uptake. In vitro study was conducted to test the effects of estradiol on macrophage nanoemulsion uptake. Cell toxicity and uptake studies using fluorescence imaging are shown. Future studies are planned to evaluate effects of hormones on nanoemulsion uptake in vivo.

162 The Use of Microsoft Bands® for Monitoring Home Practice Programs for Upper-Limb Paresis: A Case Study Jeff Montoya Vassar College

Stroke rehabilitation for motor impairments requires participation in intense, specific, and repetitive practice which many clients need to complete independently in a home program. Adherence to these programs in the home is necessary for effective rehabilitation, yet adherence is often below optimal. Providing a means to track individual progress with accelerometers may help to increase adherence for these programs. This poster will present a case analysis of data accelerometer data from a study in which participants were instructed to wear accelerometers on both wrists during their home practice programs for four weeks. Task duration, angular velocity, and acceleration will be investigated for their accuracy as markers of improvement. A better understanding of these variables may allow for future development of progress-tracking methods that complement home rehabilitation programs

163 Community Engaged Learning in the Undergraduate Research Program at Duquesne University Apa, Connor; Babyok, Olivia; Bahr, Lauren; Barton, Madison; Bertovich, Dylan; Calcagno, Jaime; Camara, Driss; Cano-Rodriguez, Rubin; Christian, Bria; Crago, Madison; Curran, Caitlyn; Engquist, Leah; George, Andrew; Gladysz, Gage; Gomez, David; Gregg, Austin; Hoover, Catherine; Majetic, Gabriel; Martin, Jordan; Montoya, Jeffrey; Morales, Natasha; Taylor, Kimberly; Templeton, Sage; Vee, Samantha; Ward, Vanessa; Widenhofer, Kayla; Cascio1, Mike; Kolber2, Ben; Mihailescu1, Rita; Tidgewell3, Kevin; Woodley2, Sarah 1Department of Chemistry and Biochemistry, Duquesne University 2Department of Biological Sciences, Duquesne University 3School of Pharmacy, Duquesne University

Undergraduate students in the 10 week summer Undergraduate Research Program of Duquesne University participated in community-engaged learning by developing and sharing science activities with children at a summer day camp. We partnered with the Center of Life, a community organization in the Hazelwood neighborhood of Pittsburgh. Duquesne worked in teams to develop science enrichment activities that they shared with about 25 middle school-aged campers each week for 4 weeks. The experience culminated in a visit by campers to Duquesne University where the Duquesne students described their background and research projects to the campers. By participating in community-engaged learning, the Duquesne practiced communication, professional, and civic skills while improving their understanding of their discipline. At the same, Pittsburgh youth were exposed to hands-on science enrichment to increase their understanding and enthusiasm for biology.

164 Impact of a multidisciplinary school and community-based health care clinic on asthma-related health outcomes Dana Nardozzi PharmD Candidate1, Nicole Sossong MPH1, Paige Williams MPH1, Erica Butler MS2, Deborah Gentile MD2, Tricia Morphew MS3, JP Elliott PharmD1

1Duquesne University, Pittsburgh, PA 2Pediatric Alliance, P.C., Pittsburgh, PA 3Morphew Consulting LLC, Seattle WA

Rationale: Disparities in asthma control, as well as increases in asthma-related morbidity and mortality, have been identified among patient populations who lack access to ambulatory care; the purpose of this study is to determine whether a school and community-based health care delivery model improves asthma outcomes in at-risk pediatric populations. Methods: The study enrolled 23 patients, ages 5-17 years, from 2 elementary schools and 1 community-based after school program. Services were delivered by a physician and a pharmacist, who provided disease- and drug-specific education. Prior to enrollment and throughout the study, subjects and caregivers were assessed for asthma control, oral steroid bursts, acute visits to primary care providers or emergency department visits, and hospitalizations. Results: Asthma control, number of oral steroid bursts, acute visits to primary care providers or emergency department visits, and hospitalizations will be compared Pre- and post- study enrollment. Final results will be presented at the 2019 Summer Undergraduate Research Symposium.

173Quantifying the Expression of Three Paralogous rsm Genes in Pseudomonas fluorescens Santos,Raziel; Christian, Bria; Evans, Anton; Kim, WookDepartment of Biological SciencesDuquesne University

Microbes exist in dense communities known as biofilm that form on all biotic and abiotic surfaces. In our model system of Pseudomonas fluorescens colonies, mutant patches naturally emerge to occupy the optimal space for growth. These patches exclusively form through a loss-of-function mutation in a post-transcriptional regulator, RsmE. P. fluorescens possesses three Rsm paralogs: RsmE, RsmI, and RsmA. The literature suggests that Rsm paralogs are largely redundant in function, and they are indeed highly similar in amino acid sequence. However, the fact that our model system produces mutations exclusively inrsmE indicates that RsmE carries out a unique function from its paralogs. An alternative hypothesis is thatthe paralogs are redundant in function but only RsmE is expressed. To address these hypotheses, weconduct quantitative PCR to measure absolute expression levels of the three paralogous genes.


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Not Presenting Their Posters:

Variable Spot-Size Diameter Retinal Endoilluminator Ryan, Annie and Viator, John Ph.D Biomedical Engineering Duquesne University

Retinal Illuminators are used by ophthalmologists to provide a light source in the dark interior of the eye. They are inserted and moved closer or farther away from the retina in order to obtain the amount of light needed. This illuminator allows for an alterable spot-size, without having to move the illuminator’s position. The illuminator was tested in air, water, and inside of an acrylamide eye mold. The average diameter of the spot-size for the water tests ranges between 30.50 millimeters to 8.50 millimeters. Additionally, the average diameter range for the air tests are 46.79 millimeters to 3.85 millimeters, and the average diameter range for the acrylamide eye mold tests are 8.89 millimeters to 2.54 millimeters.

ADDITIONAL POSTERS WITHOUT ABSTRACTS Pittsburgh Undergraduate Research Diversity Program

165 – Max Alvarez, Palm Beach Atlantic University 166 – Christian Constant, University of Pittsburgh 167 – Marshelle Franklin, Jackson State University 168 – LaNyla Gayton, The Pennsylvania State University 169 – Jared Lashway, University of Pittsburgh 170 – Lacendria Pulley, Lincoln University 171 – Ana Ryan, Tuskegee University 172 – Adi Mittal, University of Pittsburgh

Enhanced Photoacoustic Detection and Altered Infection Cycle of Bacteriophage by Preparation Modifications Douglas, Madeline; Edgar, Robert; Viator, John Biomedical Engineering Department Duquesne University

Photoacoustic flow cytometry is a method that can be used to detect bacteria. Bacteriophage, a virus that infects bacteria, is used to tag complementary host bacteria. Modifications were made to the preparation and growth processes of the bacteriophage to increase the photoacoustic absorbance. DET7 is the bacteriophage that binds to and infects SARB1, a salmonella bacteria strain. DET7 was grown to high concentrations, ranging in magnitude from 1010 to 1012. The DET7 was modified with dye to boost the photoacoustic signal. Other modifications were performed to alter the infection cycle of the bacteriophage, producing changes in the interaction between the bacteriophage and the complementary host bacteria.

Colleges and High Schools Represented at the 22nd Annual Summer Undergraduate Research Symposium

Alabama A&M

Allegheny College

Bethany College

Boston University

Carnegie Mellon University

Chowan University

Clarkson University

CUNY Hunter College

CUNY Macaulay Honors College

Duquesne University

Eastern Connecticut State University

Eastern University

Florida International University

Florida Southern College

Franciscan University of Steubenville

Georgia College

Grove City College

Jackson State University

Johns Hopkins University

La Roche University

Lincoln Land Community College

Lincoln University

Mansfield University

Palm Beach Atlantic University

Rose-Hulman Institute of Technology

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Slippery Rock University

St. Mary’s College of Maryland

SUNY Fredonia

SUNY Stony Brook

The College of New Jersey

The Pennsylvania State University

Thiel College

Tuskegee University

University of California Berkeley

University of Miami

University of Nebraska

University of Notre Dame


University of Puerto Rico

University of Puerto Rico - Rio Piedras

University of Puget Sound

University of Southern California

University of Texas at El Paso

Vassar College

Washington & Jefferson College

Waynesburg University

Westminster College

Williams College

Documents

22 Annual Summer Research Symposium - Duq