PhD Students: Scientific Activities

XXVIII Cycle

Cherubini Cristina

1. Cataldo F, Ursini O, Cherubini C, Rocchi S. Synthesis of cis- and trans-polyisoprene adduct with nitrogen dioxide (NO2/N2O4 mixture) and a study of the thermal stability of the adduct. Polym degrad stabil. 2012, 97, 1090-1100.

2. D’Acunzo F, Capitani D, Masci G, Cherubini C, Ursini O. Polymerization, grafting and adsorption in the presence of inorganic substrates: Thermal polymerization of styrene with untreated and γ-irradiated silica gel as a case study - Submitted

3. Cherubini C, Cataldo F, Iglesias-Groth S, Ursini O, Crestoni M.E. Mass spectrometric analysis of selected radiolyzed aminoacids in an astrochemical context - Submitted

De Monte Celeste

1. Celeste De Monte, Simone Carradori, Melissa D’Ascenzio, Paola Chimenti, Daniela Secci, Adriana Bolasco, Chiara Nicolazzo, Ida Silvestri. “New thiadiazoline and thiadiazole analogues of K858: antiproliferative activity in a model of prostate carcinoma”. 22nd National Meeting on Medicinal Chemistry, Roma 10-13 settembre 2013.

2. Celeste De Monte, Simone Carradori, Melissa D’Ascenzio, Bruna Bizzarri, Daniela Secci, Daniela Rivanera, Alessandra Zicari, Emanuela Mari. “Development of a new scaffold of 1,3-thiazolidin-4-one derivatives as promising antifungal agents with low cytotoxicity”. 7° Meeting “Nuove Prospettive in Chimica Farmaceutica”, Savigliano (CN) 29-31 maggio 2013 (oral communication).

Ingallina Cinzia

1. C. Marianecci, F. Rinaldi, C. Ingallina, D. Passeri, A. Sorbo, M. Rossi and M. Carafa “Smart magnetic nanovesicles for theranostic application: preparation and characterization” IL NUOVO CIMENTO 2013, Vol. 36 C (2), 103-110.

2. C. Marianecci, F. Rinaldi, C. Ingallina, C. Dong, D. Passeri, A. Sorbo, M. Rossi, M. Carafa “Multifunctional nanocarriers: MNPs loaded niosomes, preparation and characterization” The European CLINAM & ETPN Summit, Basel, June 23-26, 2013

3. F. Rinaldi, C. Marianecci, C. Ingallina, A. Biagioni, A. Bettucci, E.Del Favero, L. Cantù and M. Carafa “Lipid Nanobubbles: Preparation and Acoustic Characterization” International Soft Matter Conference, Rome, September 15-19, 2013

4. C. Ingallina, M. Mori, S. Toscano, F. Rinaldi, M. Carafa, B. Botta, C. Marianecci “Natural lead products and new strategies in brain delivery: inhibition of Hedgehog pathway in medulloblastoma” COST Action CM0804 Chemical Biology with Natural Products İzmir, Turkey May 6-8, 2013,

5. C. Marianecci, F. Rinaldi, C. Ingallina, D. Passeri, A. Bettucci, A. Biagioni, A. Sorbo, E. Del Favero, L. Cantù, M. Rossi, M. Carafa “Smart Nanovesicles For Theranostics: Preparation and

Characterization” XXII National Meeting on Medicinal Chemistry, Rome, September 10-13, 2013

6. C. Marianecci, F. Rinaldi, C. Ingallina, D. Passeri, A. Sorbo, M. Rossi, M. Carafa “Smart Magnetic Nanovesicles for Theranostic Application: Preparation and Characterization” 3rd Conference on Innovation in Drug Delivery: Advances in Local Drug Delivery, Pisa, September 22-25, 2013

Lenoci Alessia

1. D Rotili, D Tarantino, A Nebbioso, C Paolini, C Huidobro, E Lara, P Mellini, A Lenoci, R Pezzi, G Botta, M Lahtela-Kakkonen, A Poso, C Steinkühler, P Gallinari, R De Maria, M Fraga, M Esteller, L Altucci, A Mai. “Discovery of Salermide-Related Sirtuin Inhibitors: Binding Mode Studies and Antiproliferative Effects in Cancer Cells Including Cancer Stem Cells”. J. Med. Chem., 2012, 55 (24), pp 10937–10947.

2. Alessia Lenoci, Donatella Labella, Dante Rotili, X. Cheng, A.K. Upadhyay, Antonello Mai. “From histone methyltransferase to histone demethylase inhibitors: novel quinazolines analogues”. DPhG 2013 Annual Meeting, Oct 10-12, Freiburg, Germany.

3. Alessia Lenoci, Donatella Labella, Dante Rotili, X. Cheng, A.K. Upadhyay, Antonello Mai. “From histone methyltransferase to histone demethylase inhibitors: novel quinazolines analogues”. NMMC: XXII Annual Meeting of Medicinal Chemistry, Sept 10-13, Roma, Italy.

Menta Sergio

1. Unexpected Different Chemoselectivity in the Aerobic Oxidation of Methylated Planar Catechin and Bent Epicatechin Derivatives Catalyzed by the Trametes villosa Laccase/1 Hydroxybenzotriazole System. R. Bernini, F. Crisante, P. Gentili, S. Menta, F. Morana, M. Pierini. Organic & Biomolecular Chemistry, submitted.

2. A chromatographic and computational study on the driving force operating in the exceptionally large HPLC enantioseparation of N-thiocarbamoyl-3-(4’-biphenyl)-5-phenyl-4,5-dihydro-(1H) pyrazole on a 4-methylbenzoate cellulose-based chiral stationary phase. F. Ortuso, S. Alcaro, S. Menta, R. Fioravanti, R. Cirilli. Journal of Chromatography A, submitted.

3. Effective Encapsulation of Pristine Fullerenes C60 and C70 into the Solvophobic Cavity of a Resorc[4]arene Derivatized with Hydrocarbon Chains Defining a Basket like Structure: a Supramolecular Study based on Experiments and Theory. B. Botta, F. Ghirga, S. Menta, M. Pierini, S. Toscano. European Winter School on Physical Organic Chemistry 2013 (e-WISPOC 2013), Brixen, Italy, January 27- February 1, 2013.

4. A Molecular Modeling Study Aimed to Develop a Theoretical Model of the Amylose tris(3,5-dimethylphenylcarbamate) Chiral Stationary Phase Able to Reproduce Enantiodiscrimination Experimental Data. B. Botta, R. Cirilli, S. Menta, M. Pierini, D. Secci. Ninth European Workshop in Drug Design, Certosa di Pontignano, Siena, Italy, May 19-25, 2013.

5. Synthesis of a Basket-Resorc[4]arene via Metathesis Reaction and Encapsulation Studies of Fullerenes C60 and C70. F. Ghirga, B. Botta, S. Menta, M. Pierini, I. D’Acquarica. 12th International Conference on Calixarenes (Calix 2013), St. John’s NL, Canada, July 14-17, 2013

Messore Antonella

1. Costi, R.; Cuzzucoli Crucitti, G.; Pescatori, L.; Messore, A.; Scipione, L.; Tortorella, S.; Amoroso, A.; Crespan, E.; Campiglia, P.; Maresca, B.; Porta, A.; Granata, I.; Novellino, E.;

Gouge, J.; Delarue, M.; Maga, G.; Di Santo, R. New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target. J. Med. Chem., 2013, 56 (18), pp 7431–7441.

2. Costi, R.; Métifiot, M.; Esposito, F.; Cuzzucoli Crucitti, G.a; Pescatori, L.; Messore, A.; Scipione, L.; Tortorella, S.; Zinzula, L.; Marchand, C.; Pommier, Y.; Tramontano, E.; Di Santo, R. 6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-5-hexenoic acids as dual inhibitors of recombinant HIV-1 integrase and ribonuclease H, synthesized by a parallel synthesis approach. J. Med. Chem 2013, in press.

Montanari Elita

1. E. Montanari, S. Capece, C. Di Meo, M. Meringolo, T. Coviello, E. Agostinelli, P. Matricardi, Hyaluronic acid nanohydrogels as a useful tool for BSAO immobilization in the treatment of melanoma cancer cells, Macromol. Biosci., 13 (9), 2013, 1185-1194. L’articolo ha meritato la cover del volume della rivista.

2. E. Montanari, G. D’Arrigo, C. Di Meo, A. Virga, T. Coviello, C. Passariello, P. Matricardi, Chasing bacteria within the cells using levofloxacin-loaded hyaluronic acid nanohydrogels, Future Microbiology, submitted

3. M.C. De Rugeriis, E. Montanari, C. Di Meo e P. Matricardi ”Metodo per la preparazione di nanoidrogel”, Patent pending

4. Poster “BSAO immobilized in self-assembled hyaluronic acid nanohydrogels induces cytotoxicity on melanoma cancer cells” 7th AItUN Annual Meeting, Perugia, March 2013 Italy "New frontiers in living cell encapsulation".

5. Poster “Polysaccharide Nanohydrogels as Drug Delivery Platforms”, CRS Palermo, November 2012, “Biomaterials: from drug delivery to tissue engineering”

6. Poster “Polysaccharide nanohydrogels as drug carriers”, Rome, October 2012 “Nanomedicine: from molecules to diagnosis and therapy”

7. Poster “Levofloxacin-loaded hyaluronic acid nanohydrogel for the treatment of intracellular bacterial infections”, Scuola Dottorale Arcavacata, September 2013 “Materiali per applicazioni farmaceutiche: caratterizzazione chimico-fisica e tecnologica”

8. Poster “BSAO immobilized in self-assembled hyaluronic acid nanohydrogels induces cytotoxicity on melanoma cancer cells”, Pisa September 2013, “3rdConference on innovation in drug delivery: advances in local drug delivery”

Pirolli Adele

1) Ortar, G.; Morera, E.; De Petrocellis, L.; Ligresti, A.; Schiano Moriello, A.; Morera, L.; Nalli, M.; Ragno, R.; Pirolli, A.; Di Marzo, V. European journal of medicinal chemistry 2013, 63C, 118.

2) Combined 3D-QSAR modelling and molecular docking studies on human lysine-specific demethylase 4 A (JMJD2A). Pirolli, A., Ragno, R. 9- 11 Ottobre 2013, Dphg2013 conference, Frieburg

3) VEGFR-2 Inhibitors. New perspectives from molecular modeling. F. Ballante, A. Pirolli, A. Patsilinakos, C. Gadais, S. Hesse, G. Kirsch, R. Ragno (2013) 29-31 Maggio 2013, NPCF7, Savigliano (CN)

4) Molecular docking of biaryl tetrazolyl ureas as inhibitors of endocannabinoid metabolism Pirolli A. Ballante F., Patsilinakos A., Ortar G., Morera E., Ragno R. 29-31 Maggio 2013, NPCF7, Savigliano (CN)

5) Molecular docking of biaryl tetrazolyl ureas as inhibitors of endocannabinoid metabolism Pirolli A. Ballante F., Patsilinakos A., Ortar G., Morera E., Ragno R. 19th-25th May 2013, IX EWDD, Certosa di Pontignano (SI)

Sanzò Gabriella

1. M.Tomassetti, E.Martini, L.Campanella, G.Favero, G.Sanzó, F.Mazzei. “Lactoferrin determination using flow or batch immunosensor surface plasmon resonance: Comparison with amperometric and screen-printed immunosensor methods”. Sensors and Actuators B 179 (2013) 215-225

2. G.Sanzó, C.Tortolini, G.Favero, M.L. Antonelli, F.Mazzei. “Carbon-based nanocomposite material for third-generation electrochemical biosensors development” International Conference on Diamond and Carbon Materials. 2-5 settembre 2013, Riva del Garda.

3. A.Boffi, G.Favero, R.Federico, C.Lanzellotto, F.Mazzei, C.Tortolini and G.Sanzó. “Amine oxidases based biosensors for biogenic polyamines determination” XXIV Congresso della Divisione di Chimica Analitica della Società Chimica Italiana, 15-19 settembre 2013, Sestri Levante (GE)

XXVII Cycle

Cocozza Martina

1. Poce G.; Bates H.R.; Alfonso S.; Cocozza M.; Porretta G.C.; Ballell L.; Rullas J.; Ortega F.; De Logu A.; Agus E.; La Rosa V.; Pasca M.R.; De Rossi E.; Wae B.; Franzblau S.G.; Manetti F.; Botta M.; Biava M. Improved BM212 mmpL3 inhibitor analogue shows efficacy in acute murine model of tubercololis infection. PloS One 2013, 8, e56980.

2. Baiocco P.; Poce G.; Alfonso S.; Cocozza M.; Porretta G.C.; Colotti G.; Biava M.; Moraca F.; Botta M.; Yardley V.; Fiorillo A.; Malatesta F.; Ilari A. “Inhibition of Leishmania infantum trypanothione reductase by azole-based compounds: a comparative analysis with its physiological substrate by X-ray crystallography.” ChemMedChem. 2013, 8(7),1175-83

3. Biava, M.; Cocozza, M.; Poce, G.; Alfonso, S.; Battilocchio, C.; Colotti, G.; Malatesta, F.; Baiocco, P.; Ilari A. “New Heterocyclic Compounds Targeting Trypanothione Metabolism In Leishmania Parasites”. Nuove Prospettive in Chimica Farmaceutica 6, Riccione, 15-17 Aprile 2012.

4. Cocozza, M.; Poce G; Férnandez, R; Bates, R.H. ; Ballel, L.; Biava, M. “New Improved BM212 MmpL3 Inhibitor Analogues: In Vitro and in Vivo Biological Evaluation against Mycobacterium Tuberculosis”. Sociedad Española de Química Terapéutica, SEQT summer school, Madrid, 25-27 Giugno 2013.

Consalvi Sara

1. Biava, M., Battilocchio, C., Poce, G., Alfonso, S., Consalvi, S., Di Capua, A., Calderone, V. Martelli, A., Testai, L., Sautebin, L., Rossi, A., Ghelardini, C., Di Cesare Mannelli, L., Giordani, A.,Persiani, S., Colovic, M., Patrignani, P., Anzini, M. Development of a Novel Class of Amides as Selective COX-2 Inhibiting Nitric Oxide Donors: Reducing the Metabolic Sensitivity to Enhance the Pharmacodynamic Profile. Bioorg Med Chem, submitted for publication.

2. Martelli A, Testai L, Anzini M, Cappelli A, Di Capua A, Biava M, Poce G, Consalvi S, Giordani A, Caselli G, Rovati L, Ghelardini C, Patrignani P, Sautebin L, Breschi MC, Calderone V. The novel anti-inflammatory agent VA694, endowed with both NO-releasing and COX2-selective inhibiting properties, exhibits NO-mediated positive effects on blood pressure, coronary flow and endothelium in an experimental model of hypertension and endothelial dysfunction. Pharmacol Res. 2013, in press.

3. Battilocchio, C.; Poce, G.; Alfonso, S.; Porretta, G.C.; Consalvi, S.; Sautebin, L.; Rossi, A.; Pace, F.; Ghelardini, C.; Di Cesare Mannelli, L.; Schenone, S.; Giordani, A.; Di Francesco, L.; Patrignani, P.; Biava, M. A Class of Pyrrole Derivatives Endowed with Analgesic/Anti-inflammatory Activity, Bioorg Med Chem. 2013;21: 3695-701.

4. Biava, M., Battilocchio, C.; Poce, G.;; Alfonso, S.; Porretta, G.C.; Consalvi, S.; Calderone, V.; Martelli, A.; Testai, L.; Ghelardini, C.; Di Cesare Mannelli, L.; Sautebin, L.; Rossi, A.; Giordani, A.; Patrignani, P.; Anzini, M., Improving the Solubility of a New Class of Antiinflammatory Pharmacodynamic Hybrids, that Release Nitric Oxide and Inhibit Cycloxygenase-2 Isoenzyme Eur J Med Chem. 2012; 58: 287-98.

5. Consalvi S., Poce G., Alfonso S., Battilocchio C., Porretta G. C. , Calderone V., Martelli A. , Testai L., Sautebin L., Rossi A., Ghelardini C., Di Cesare Mannelli L., Giordani A., Patrignani, P., Anzini M., Biava M. “Improving the solubility and the biological profile of a novel class of derivatives as selective COX-2 inhibiting nitric oxide donors.” XII NMMC, Roma, Italia, 10-13 Settembre 2013.

6. M. Biava, S.Consalvi, G. Poce, G.C. Porretta, C. Battilocchio, S. Alfonso, C. Ghelardini, L. Sautebin, “New pyrrole derivatives as anti-inflammatory and analgesic agents: design, synthesis and biological evaluation”. VI Meeting NPCF, 2012, 15-17 Aprile, Riccione, Italia.

7. S. Consalvi, C. Battilocchio, G. Poce, S. Alfonso, G. C. Porretta, M. Anzini, L. Sautebin, C. Ghelardini, A. Giordani, P. Patrignani, V. Calderone and M. Biava “New 1,5-diphenyl pyrrole derivatives as anti-inflammatory COX-2 selective compounds and their use as potential antitumoral agents.” IVth European Workshop in Drug Synthesis, 27-31 maggio 2012, Certosa di Pontignano, Siena, Italia.

8. Consalvi S., Poce G, Battilocchio C., Alfonso S., Calderone V., Martelli A., Testai L., Sautebin L. , Rossi A., Ghelardini C., Di Cesare Mannelli L., Giordani A., Anzini M., Biava M. “Development of a Novel Class of Derivatives as Selective COX-2 Inhibiting Nitric Oxide Donors: Improving the Solubility and the Biological Profile. ” VII Meeting NPCF, Savigliano, Italia, 29-31 Maggio 2013 (oral communication).

Fallacara Anna Lucia

1. Cristina Peruzzotti, Stella Borrelli, Micol Ventura, Rebecca Pantano, Gaia Fumagalli, Michael S. Christodoulou, Damiano Monticelli, Marcello Luzzani, Anna Lucia Fallacara, Cristina Tintori, Maurizio Botta, and Daniele Passarella. ACS Medicinal Chemistry Letters 2013 4 (2), 274-277.

2. Marco Radi, Cristina Tintori, Francesca Musumeci, Chiara Brullo, Claudio Zamperini, Elena Dreassi, Anna Lucia Fallacara, Giulia Vignaroli, Emmanuele Crespan, Samantha Zanoli, Ilaria Laurenzana, Irene Filippi, Giovanni Maga, Silvia Schenone, Adriano Angelucci, and Maurizio Botta. Design, Synthesis, and Biological Evaluation of Pyrazolo[3,4-d]pyrimidines Active in Vivo on the Bcr-Abl T315I Mutant. Journal of Medicinal Chemistry 2013 56 (13), 5382-5394.

3. Daniele Castagnolo, Mafalda Pagano, Anna Lucia Fallacara, Ilaria Laurenzana, Davide Deodato, Ulrich Kessler, Beatrice Pilger, Lilli Stergiou, Stephan Strunze, Cristina Tintori and Maurizio Botta. The Fight Against the Influenza A Virus H1N1: Synthesis, Molecular Modeling and Biological Evaluation of RNA Polymerase Inhibitors. Chemistry and Medicinal Chemistry, 2013, submitted.

4. Cristina Tintori, Ilaria Laurenzana, Anna Lucia Fallacara, Ulrich Kessler, Beatrice Pilger, Lilli Stergiou and Maurizio Botta. High-throughput Docking for the identification of New influenza A Virus Polymerase Inhibitors Targeting PAPB1 Protein-Protein Interaction. Bioorganic and Medicinal Chemistry Letters, 2013, submitted.

Poster and Oral Communications

1. 3-5 November 2012: COST Meeting in Salerno, Salerno, Italy. Poster Presentation.

2. 21-23 February 2013: COST Action CM1106 Working Group Meeting in Porto, Portugal. Poster Presentation.

The poster was selected for a short presentation.

3. 22-25 April 2013: Training School in Espoo Cost Action CM0804, Espoo, Finland.

4. 19-25 May 2013: Ninth European Workshop in Drug Design, Pontignano, Siena, Italy. Poster presentation.The poster was selected for a short presentation. Winner of a prize for the best poster presentation.

5. 19-20 September 2013: COST Action CM1106 Working Group Meeting in Warsaw, Poland. Poster Presentation.

Famiglini Valeria

1. La Regina, G.; Gatti, V.; Famiglini, V.; Piscitelli, F.; Silvestri, R. Venting-while-heating microwave-assisted synthesis of 3-arylthioindoles. ACS Comb. Sci. (ex J. Comb. Chem.) 2012, ISSN: 1520-4766, doi: 10.1021/co200165j.

2. La Regina, G.; Coluccia, A.; Brancale, A.; Piscitelli, F.; Famiglini, V.; Cosconati, S.; Maga, G; Samuele, A.; Gonzalez, E.; Clotet, B.; Schols, D.; Esté. J.A.; Novellino, E.; Silvestri, R. New Nitrogen Containing Substituents at the Indole-2-carboxamide Yield High Potent and Broad Spectrum Indolylarylsulfone HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. J. Med. Chem. 2012, 55, 6634−6638.

3. Famiglini , V. ; La Regina, G.; Coluccia, A.; Novellino, E.; Hamel, E.; Silvestri, R. Studi SAR alla Posizione 2 Indolica di Nuovi Agenti Antitumorali. XI Laboratorio di Metodologie Sintetiche in Chimica Farmaceutica, February 13-17 2012, Siena, Italy (oral communication).

4. Coluccia, A.; La Regina, G.; Gatti, V.; Piscitelli, F.; Famiglini , V. ; Brancale, A.; Maga, A.; Balzarini, J.; Novellino, E.; Silvestri, R. Indolylarylsulfones as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. New Cyclic Substituents at the Indole-2-carboxamide. XXIV Congresso Nazionale della Società Chimica Italiana, Atti del Congresso, FAR-PO-20, September 11-16 2011, Lecce, Italy.

5. Famiglini, V .; La Regina, G.; Novellino, E.; Silvestri, R. First Venting-while-Heating Microwave-Assisted Synthesis of 3-Arylthioindoles As Potent Inhibitors of Tubulin Polymerization. NPCF-6, Atti del Congresso, P1-07, April 15-17 2012, Riccione, Italy.

6. Famiglini, V ; La Regina, G.; Coluccia, A.; Brancale, A.; Novellino, E.; Silvestri, R. New Indolylarylsulfones as Potent and Broad Spectrum HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. Saycs 2012, Comunicazione Poster, P-12, October 1-3 2012, Riccione, Italy.

Friggeri Laura

1- Laura Friggeri et al. “New promising compounds with in vitro nanomolar activity against Trypanosoma cruzi”, ACS Med.Chem. Lett., 2013, 4 (6), pp 538-541

2- Laura Friggeri et al. “Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents”, J. Chem. Inf. Model, 2013, 53 (6), pp 1463–1474

3- Laura Friggeri et al. “Efficient Synthesis of 3,5-Dicarbamoyl-1,4-dihdropyridines from Pyridinium Salts: Key Molecules in Understanding NAD+/NAD(P)H Pathway”, J.Het.Chem, doi 10.1002, 2013

4- Laura Friggeri et al. “Design, synthesis and evaluation of 3,4-dihydroxybenzoic acid derivatives as antioxidants, bio-metal chelating agents and acetylcholinesterase inhibitors” Journal Of Enzyme Inhibition and Medicinal Chemistry just accepted.

5- Poster session: “New T.cruzi sterol 14alpha-demethylase inhibitors?” COST European Cooperation in the field of Scientific and Technical Structural Biology & Medicinal Chemistry, NEW DRUGS FOR NEGLETED DISEASE. Certosa di Pontignano1 June 2012, Siena

6- Poster session: “New 4-aminopyridine and imidazole derivatives highly active against Trypanosoma cruzi”, 21st National Meeting on Medicinal Chemistry, from 17 to 20 July, 2012, Palermo

7- Oral comunication:”Novel highly active antitrypanosomal imidazoles and aminopyridines” Sigma-Aldrich Young Chemists Symposium (S.A.Y.C.S.),from 1 to 3 October, 2012, Riccione

Pacelli Settimio

1) F. Corrente, H. M. Abu Amara, S. Pacelli, P. Paolicelli, M. A. Casadei, “Novel Injectable and in Situ Cross-linkable Hydrogels of Dextran Methacrylate and Scleroglucan Derivatives: Preparation and Characterization”. Carbohydrate Polymers, 2013, 92, 1033-1039.

2) A. Cerreto, F. Corrente, B. Botta, S. Pacelli, P. Paolicelli, L. Mannina, M. A. Casadei, “NMR Investigation of Carboxymethyl Scleroglucan”, Int. J. Polymer Analysis and. Characterization, 2013, 8, 000.

3) M. A. Casadei, S. Cesa, S. Pacelli, P. Paolicelli, B. Tita, F. Vitali, “Dextran-based Hydrogel Microspheres Obtained in w/o Emulsion: Preparation, Characterization and in-vivo Studies, J. Microencapsulation, in press.

Spera Romina

1. S.Petralito, R. Spera, A. Memoli, G. D'Inzeo, M. Liberti, F. Apollonio (2012). Preparation and characterization of lipid vesicles entrapping iron oxide nanoparticles. ASIA-PACIFIC JOURNAL OF CHEMICAL ENGINEERING, vol. 7; Special Issue "The Contribution of Chemical Engineering in the Biotechnology and Biomedical Fields", p. 335-341, ISSN: 1932-2143, doi: 10.1002/apj.1653.

2. S. Petralito, I. Zanardi, R. Spera, A. Memoli, M.C. Annesini, V. Travagli. Diacerhein:hydroxypropyl-β-cyclodextrin complex preparation and characterization: in solution and solid state studies. Spectrochimica Acta submitted July 2013.

3. R. Spera , S. Petralito, M. Liberti, C. Merla, G. d’Inzeo, R. Pinto, F. Apollonio. Controlled release from magnetoliposomes aqueous suspensions exposed to a low intensity magnetic field. Bioelectromagnetics submitted August 2013.

4. A. Pedacchia, R. Spera, S. Petralito, A. Adrover. In vitro dissolution testing of oral strips: a comparison between USP 1, USP2 apparatuses and a new millifluidic flow-through device. AAPS PharmSciTech submitted October 2013.

5. S. Petralito, R. Spera, S. Pacelli, M. Relucenti, G. Familiari, A. Vitalone, P. Paolicelli, M.A. Casadei. Design and development of PEG-DMA gel core liposomes as a new tool for drug delivery. Journal of Colloid and Interface Science submitted October 2013.

6. F. Ceccarelli, R. Spera, C. Merla, R. Pinto, M. Liberti, G. d’Inzeo, S. Petralito, F. Apollonio (2013). “Controlled release from magnetoliposomes solutions exposed to a low intensity magnetic field”. Bioem 2013. 10-14 giugno, Thessaloniki (Greece)

7. A. Pedacchia, R. Spera, S. Petralito, A. Adrover. (2013) “A new device for oral thin films dissolution testing: comparison with USP apparatuses”. 3rd Conference on “Innovation in Drug Delivery: Advances in Local Drug Delivery” 22-25 September, 2013 PISA (Italy)

8. Petralito, R. Spera, C. Merla, R. Pinto, M. Liberti, F. Apollonio. (2013) “Low Intensity Alternating Magnetic Field To Control Drug Release From Magnetoliposomes”. 3rd Conference on “Innovation in Drug Delivery: Advances in Local Drug Delivery” 22-25 September, PISA (Italy)

9. S. Petralito, R. Spera, S. Pacelli, P. Paolicelli, M. A. Casadei. (2013) “Design And Development Of Gel Core Liposomes For Drug Delivery”. 3rd Conference on “Innovation in Drug Delivery: Advances in Local Drug Delivery”. 22-25 September, PISA (Italy)

10. M. Cecchi, I. Zanardi, E. Paccagnini, S. Petralito, R. Spera, V. Travagli (2012). “Investigations Of Tamarind Seed Polysaccharide - Hyaluronic Acid Interactions”. 8th Word meeting on Pharmaceutics, Biopharmaceutics and Pharmaceutical Technology. 19-22 Marzo, Istanbul (Turkey).

11. S. Petralito, R. Spera, A. Memoli, C. Merla, R. Pinto, M. Liberti, F. Apollonio (2012). “Alternating Magneting Field for Controlled Release from Iron Oxide Nanoparticle Entrapping Extruded Liposomes: Vesicles Characterization an Generator Apparatus Development”. 8th Word meeting on Pharmaceutics, Biopharmaceutics and Pharmaceutical Technology. 19-22 marzo, Istanbul (Turkey)

12. S. Petralito, R. Spera, A. Memoli, C. Merla, R. Pinto, M. Liberti, F. Apollonio (2012). “Controlled Drug Release From Extruded Magnetoliposomes Under Low Intensity Alternating Magnetic Field”. XXII Simposio ADRITELF. 13-16 Settembre, Firenze (Italy)

13. S. Petralito, R. Spera, P. Paolicelli, S. Pacelli, A. Memoli, M. A. Casadei (2012). “Core gel liposomes: a new tool for drug delivery”. XXII Simposio ADRITELF., 13-16 Settembre, Firenze (Italy)

14. Petralito S, Spera R, D'Inzeo G, Liberti M, Apollonio F (2011). “Magnetoliposomes: preparation and characterization”. In: 3rd PharmSciFair (Pharmaceutical Sciences for the Future of Medicines)., 13-17 Giugno, Prague (Czech Republic)

Toscano Sara

1) Ghirga F, D’Acquarica I, Delle Monache G, Toscano S, Mannina L, Sobolev A P, Ugozzoli F, Crocco D, Antiochia R, Botta B. Undecenyl resorc[4]arene in the chair conformation as preorganized synthon for olefin metathesis . RSC Adavances 2013, 3(38), 17567-17576.

XXVI Cycle

Ansari Siddique Akber

1. S. A. Ansari, P. Matricardi, C. Di Meo, F. Alhaique, T. Coviello. “Evaluation of rheological properties and swelling behaviour of sonicated Scleroglucan samples“. Molecules, 17, 2283-2297 (2012).

2. S.A. Ansari, P. Matricardi, C. Cencetti, C. Di Meo, M. Carafa, C. Mazzuca, A. Palleschi, D. Capitani, F. Alhaique, T. Coviello. “Sonication-Based Improvement of the Physicochemical Properties of Guar Gum as a Potential Substrate for Modified Drug Delivery Systems”. BioMed Research International, Volume 2013, Article ID 985259, 11 pages http://dx.doi.org/10.1155/2013/985259

3. S.A. Ansari, P. Matricardi, C. Cencetti, C. Di Meo, M. Carafa, F. Alhaique, T. Coviello. “Effect of sonication on rheological and swelling behaviours of Guar Gum”. 3rd Conference on “Innovation in Drug Delivery: Advances in Local Drug Delivery”. Pisa (Italy) September 22-25, 2013 (p.116).

Ballante Flavio

1. L. Friggeri, Ballante F., R. Ragno, I. Musmuca, D. De Vita, F. Manetti, M. Biava, L. Scipione, R. Di Santo, R. Costi, M. Feroci, S. Tortorella (2013). Pharmacophore assessment through 3-D QSAR: evaluation of the predictive ability on new derivatives by the application on a serie of antitubercular agents. JOURNAL OF CHEMICAL INFORMATION AND MODELING; p 1463–1474, ISSN: 1549-9596, doi: 10.1021/ci400132q

2. Enrico Perspicace, Valérie Jouan-Hureaux, Rino Ragno, Ballante F., Stefania Sartini, Concettina La Motta, Federico Da Settimo, Binbin Chen, Gilbert Kirsch, Serge Schneider, Béatrice Faivre, Stéphanie Hesse (2013). Design, synthesis and biological evaluation of new classes of thieno[3,2-d]pyrimidinone and thieno[1,2,3]triazine as inhibitor of vascular endothelial growth factor receptor-2 (VEGFR-2). EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, vol. 63; p. 765-781, ISSN: 0223-5234, doi: 10.1016/j.ejmech.2013.03.022

3. Ballante F., Rino Ragno (2012). 3-D QSAutogrid/R: An Alternative Procedure To Build 3-D QSAR Models. Methodologies and Applications. JOURNAL OF CHEMICAL INFORMATION AND MODELING, ISSN: 1549-9596, doi: 10.1021/ci300123x

4. Rotili D, Samuele A, Tarantino D, Ragno R, Musmuca I, Ballante F., Botta G, Morera L, Pierini M, Cirilli R, Nawrozkij MB, Gonzalez E, Clotet B, Artico M, Esté JA, Maga G, Mai A. (2012). 2-(Alkyl/aryl)amino-6-benzylpyrimidin-4(3H)-ones as inhibitors of wild-type

and mutant HIV-1: enantioselectivity studies. JOURNAL OF MEDICINAL CHEMISTRY, vol. 55; p. 3558-3562, ISSN: 1520-4804, doi: 10.1021/jm201308v

5. Ballante F., Ira Musmuca, Garland R. Marshall, Rino Ragno (2012). Comprehensive model of wild-type and mutant HIV-1 reverse transciptases. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, vol. 26; p. 907-919, ISSN: 0920-654X, doi: 10.1007/s10822-012-9586-6

6. Laura Silvestri, Ballante F., Antonello Mai, Garland R. Marshall, Rino Ragno (2012). Histone Deacetylase Inhibitors: Structure-Based Modeling and Isoform-Selectivity Prediction. JOURNAL OF CHEMICAL INFORMATION AND MODELING, vol. 52; p. 2215-2235, ISSN: 1549-9596, doi: 10.1021/ci300160y

7. Computational strategies to design new highly potential BSAO polyamine substrates. F. Ballante, G. Tempera, E. Agostinelli , R. Ragno. AMINO ACIDS 2013, 45, 563-612. ISSN: 0939-4451 doi: 10.1007/s00726-013-1540-y

8. Computational strategies to design new highly potential BSAO polyamine substrates. F. Ballante, G. Tempera, E. Agostinelli , R. Ragno. 13th International Congress on Amino Acids, Peptides and Proteins (ICAPP). October 5-7, 2013. Galveston, Texas, USA

9. Automatic generation of 3-D QSAR Models: a quasi-systematic approach. Adele Pirolli, Flavio Ballante, Manuela Sabatino, Alexandros Patsilinakos, Rino Ragno. XXII National Meeting on Medicinal Chemistry (NMMC), September 10-13, 2013, Rome, Italy

10. Design And Synthesis Of 2-Indolyl-Thieno[2,3-D]Pyrimidinones As Potential Inhibitors Of VEGFR-2.Charlène Gadais, Flavio Ballante , Stéphanie Hesse, Rino Ragno, Gilbert Kirsch. International Conference on Medicinal Chemistry, RICT 2013, July 3-5 2013, Nice, France

11. VEGFR-2 Inhibitors. New perspectives from molecular modeling. F. Ballante, A. Pirolli, A. Patsilinakos, C. Gadais, S. Hesse, G. Kirsch, R. Ragno (2013) 29-31 Maggio 2013, NPCF7, Savigliano (CN)

12. Molecular docking of biaryl tetrazolyl ureas as inhibitors of endocannabinoid metabolism Pirolli A. Ballante F., Patsilinakos A., Ortar G., Morera E., Ragno R. 29-31 Maggio 2013, NPCF7, Savigliano (CN)

13. Conception and Synthesis of New Inhibitors of VEGFR-2. C. Gadais, F. Ballante, S. Hesse, G. Kirsch, R. Ragno JJC SCT 7 et 8 février, Biocitech (Romainville), 2013.

14. “Interactions between new polyamine analogs and bovine serum amine oxidase” Giampiero Tempera, Anna Minarini, Andrea Milelli, Vincenzo Tumiatti, Taichi Ueshima, Martina Meringolo, Emanuela Bonaiuto, Maria Luisa Di Paolo, Antonio Toninello, Rino Ragno, Flavio Ballante, Roberto Stevanato And Enzo Agostinelli. International Congress on Polyamines, Istanbul (TURKEY), September 2nd to 7th, 2012

15. “Histone Deacetylase Inhibitors. The Development of a Model for Target-Selectivity Prediction.” Laura Silvestri, Flavio Ballante, Garland R. Marshall And Rino Ragno.CDDD Meeting. Computationally Driven Drug Discovery Meeting. November 21-23, 2011 - L’Aquila

16. “HDAC Inhibitors Pharmacophore Modelling using Ligand Scout 3.0.” Flavio Ballante, Annalucia Fallacara, René Weissensteiner, Andreas Jurik, Constantinos Potamitis, Jens Pilger, Jonas Demeulemeester, Laura Guasch Pàmies, Maik Kindermann VIII EWDD. Eighth European Workshop in Drug Design. May 22 - 28, 2011 - Certosa di Pontignano, Siena (Italy)

17. “Histone deacetylase inhibitors: Comparative Binding Energy and QSAR studies for target selectivity prediction” Flavio Ballante, Rino Ragno VIII EWDD. Eighth European Workshop in Drug Design. May 22 - 28, 2011 - Certosa di Pontignano, Siena (Italy)

18. “ßsecretase: quantitative structure-activity relationships (3D QSARs) and evaluation of predictive ability.” Alberto De Petris, Flavio Ballante, Rino Ragno VIII EWDD. Eighth EuropeanWorkshop in Drug Design. May 22 - 28, 2011 - Certosa di Pontignano, Siena (Italy)

Bartoli Gabriele

1. F. Leonelli, V. Latini, A. Trombetta, G. Bartoli, F. Ceccacci, A. La Bella, A. Sferrazza, D. Lamba, L. M. Migneco, and R. Marini Bettolo. Regio and Diastereoselective Synthesis and X-ray Structure Determination of (+)-2-deoxyoryzalexin S from (+)-podocarpic Acid. Structural Non Identity with its Nominal Natural Isolated Enantiomer. J. Nat. Prod. 2012, 75 (11), pp 1944-1950.

2. F. Leonelli, G. Bartoli, L. M. Migneco, and R. Marini Bettolo. Regio and Diastereoselective Synthesis and X-ray Structure Determination of (+)-stemod-13-en-19-ol from (+)-podocarpic Acid. Structural Non Identity with a Diterpenoid Isolated from the Chilean Flora manuscript in preparation.

Ciavardini Alessandra

1) E. Bodo, A. Ciavardini, S.Fornarini, A. Dalla Cort, D. Scuderi, P. Maitre, S. Piccirillo. Anion recognition by uranyl-salophen based receptors investigated through IRMPD vibrational spectroscopy. In preparation

2) C. Grazioli, C. Callegari, A. Ciavardini, M. Coreno, F. Frassetto, D. Gauthier, D. Golob, R. Ivanov, M. Merhar, P. Miotti, L. Poletto, E. Polo, B. Ressel, C. Spezzani and G. De Ninno. CITIUS: a new IR-XUV femtosecond light source for the development of ultrafast science. Review of Scientific Instruments 2013. Submitted

3) A.De Petris, A.Ciavardini, C.Coletti, N. Re, Barbara Chiavarino, , M.E. Crestoni, , and S.Fornarini. Vibrational Signatures of the Naked Aqua Complexes from Platinum(II) Anticancer Drugs. JPC Letters 2013. Submitted

4) A.Ciavardini, F.Rondino, A.Paladini, M. Speranza, S.Fornarini, M.Satta, and S. Piccirillo The effect of fluorine substitution in chiral recognition: interplay of CH⋯π, OH⋯π and CH⋯F interactions in gas-phase complexes of 1-aryl-1-ethanol with butan-2-ol. Phys. Chem. Chem. Phys., 2013 DOI: 10.1039/c3cp53215a

5) F. Rondino, A.Ciavardini, M. Satta, A. Paladini, C. Fraschetti, A. Filippi, B. Botta, A. Calcaterra, M. Speranza, A.Giardini, S.Piccirillo Ultraviolet and infrared spectroscopy of neutral and ionic non-covalent diastereomeric complexes in the gas phase. Rendiconti Lincei 2013, 1-9.

6) Piccirillo S, Ciavardini A, Bodo E, Rondino F, Scuderi D, Steinmetz V, Paladini A. Probing the Competition among Different Coordination Motifs in Metal-Ciprofloxacin Complexes through IRMPD Spectroscopy and DFT Calculations. Inorg Chem., 2013, 7, 52.

7) E. Bodo, A. Ciavardini, A. Giardini, A. Paladini, S. Piccirillo, F. Rondino, D. Scuderi,Infrared Multiple Photon Dissociation Spectroscopy of Ciprofloxacin:Investigation of the Protonation Site, Chem. Phys., 2012, 398 (1), 124-128

8) Rondino, F,; Paladini, A.; Ciavardini, A.; Casavola, A.; Catone, D.; Satta, M.; Barth, H. D.r; Giardini, A.; Speranza, M.; Piccirillo, S. Chiral recognition between 1-(4-fluorophenyl)ethanol and 2-butanol: higher binding energy of homochiral complexes in the gas phase, Phys. Chem. Chem. Phys., 2011, 13, 818-824.

9) A. Ciavardini, F. Rondino, S. Fornarini, M. Satta, S. Piccirillo “Chiral recognition of non-covalent diastereomeric complexes in the gas phase” 12° Sigma Aldrich Young Chemists Symposium: 12° S.A.Y.C.S. Riccione (Hotel Atlantic), 1-3 Ottobre 2012,

10) A. Ciavardini, F. Rondino, A. Paladini, M. Speranza, M. Satta, D.Catone S. Piccirillo “Chiral recognition between 4-fluorophenyl-ethanol and 2-butanol: higher stability of homochiral complexes in the gas phase”. XXIV Symposium on Molecular Beams Bordeaux May 2011.

De Petris Alberto

(1) De Petris, A.; Ballante, F.; Ragno, R. ß-secretase: quantitative structure-activity relationships (3-D QSARs) and  evaluation of predictive ability (manuscript in preparation)

(2) Siehl, H. U.; Brixner, S.; Coletti, C.; Re, N.; Chiavarino, B.; Crestoni, M. E.; De Petris, A.; Fornarini, S. Isomeric C5H11Si+ ions from the trimethylsilylation of acetylene: An experimental and theoretical study. Int J Mass Spectrom 2013, 334, 58.

(3) De Petris, A.; Ciavardini, A.; Coletti, C.; Re, N.; Chiavarino, B.; Crestoni, M. E.; Fornarini, S. Vibrational Signatures of the Naked Aqua Complexes from Platinum(II) Anticancer Drugs. J Phys Chem Letters 2013 (Article Submitted for Publication).

(4) De Petris, A.; Chiavarino, B.; Fornarini, S.; Rovira, C.; Ragno, R.; Crestoni, M. E. Binding energies of Heme-Azole Complexes: Combined Application of Energy-Resolved Threshold Collision-Induced Dissociation and Car-Parrinello Molecular Dynamics (manuscript in preparation)

(5) De Petris A. Caratteristiche vibrazionali degli ioni derivanti dall’idrolisi del trans- e del cisplatino. (12° Sigma Aldrich Young Chemists Symposium, Riccione, 1-3 ottobre 2012) (oral communication).

(6) De Petris A. Calcoli geometrici e valutazione delle binding energies relative tramite Density Functional Theory su complessi [Heme (Azolo)]+. (Parc Cientific, Barcelona, 20 maggio 2013) (oral communication).

(7) De Petris A et al, β-secretasi: Studio 3D-QSAR e valutazione dell’abilità predittiva di una classe di inibitori pseudopeptidici. (I- Eighth European Workshop in Drug Design, Siena, 22-28 maggio 2011, II- Workshop on Drug Design, Milano, 15 giugno 2011).

(8) De Petris A et al, Inibitori HDAC: Studio di tipo 3D-QSAR e relative predizione delle attività biologiche. (Eighth European Workshop in Drug Design, Siena, 22-28 maggio 2011).

(9) De Petris A et al, Ioni ottenuti dalla trimetilsililazione dell’acetilene: Uno studio sperimentale e teorico. (XL Congresso Nazionale della Divisione di Chimica Inorganica della SCI, Sestri Levante, 9-13 settembre 2012).

(10) De Petris A et al, Caratteristiche vibrazionali degli ioni derivanti dall’idrolisi del trans- e del cisplatino. (12° Sigma Aldrich Young Chemists Symposium, Riccione, 1-3 ottobre 2012).

Ghirga Francesca

1. Alberto Macone, Mario Fontana, Marco Barba, Bruno Botta, Mirella Nardini, Francesca Ghirga, Andrea Calcaterra, Laura Pecci, and Rosa Marina Matarese, Antioxidant Properties of Aminoethylcysteine Ketimine Decarboxylated Dimer: A Review. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,(2011), vol. 12(5); p. 3072-3084, ISSN: 1422-0067, doi: 10.3390/ijms12053072

2. Menendez, Pilar; D'Acquarica, Ilaria; Delle Monache, Giuliano; Ghirga, Francesca; Calcaterra, Andrea; Barba, Marco; Macone, Alberto; Boffi, Alberto; Bonamore, Alessandra; Botta, Bruno. Production of bioactive compounds: the importance of Pictet-Spengler reaction in the XXI century. In Plant Bioactives and Drug Discovery: Practice and Perspectives. (2012), p. 453-487. HOBOKEN, NJ: John Wiley & Sons, Inc.

3. Francesca Ghirga , Ilaria D'Acquarica, Giuliano Delle Monache, Luisa Mannina, Carmela Molinaro, Laura Nevola, Anatoly P. Sobolev, Marco Pierini, and Bruno Botta. Reaction of Nitrosonium Cation with Resorc[4]arenes Activated by Supramolecular Control: Covalent Bond Formation. J. Org. Chem., (2013), 78 (14), p. 6935–6946.

4. Francesca Ghirga , Ilaria D'Acquarica, Giuliano Delle Monache, Sara Toscano, Luisa Mannina, Anatoly P. Sobolev, Franco Ugozzoli, Domenico Crocco, Riccarda Antiochiaa and Bruno Botta. Undecenyl resorc[4]arene in the chair conformation as preorganized synthon for olefin metathesis. RSC Adv., (2013),3, p. 17567-17576.

Labella Donatella

1) Upadhyay AK, Rotili D, Han JW, Hu R, Chang Y, Labella D, Zhang X, Yoon YS, Mai A, Cheng X. An analog of BIX-01294 selectively inhibits a family of histone H3 lysine 9 Jumonji demethylases. J Mol Biol. 2012 Feb 24;416(3):319-27.

2) Valente S, Trisciuoglio D, Tardugno M, Benedetti R, Labella D, Secci D, Mercurio C, Boggio R, Tomassi S, Di Maro S, Novellino E, Altucci L, Del Bufalo D, Mai A, Cosconati S.Tert-Butylcarbamate-containing histone deacetylase inhibitors: apoptosis induction, cytodifferentiation, and antiproliferative activities in cancer cells. ChemMedChem. 2013 May;8(5):800-11.

3) D Rotili, D Tarantino, B Marrocco, C Gros, V Masson, J-M Gregoire, F Ausseil, Y Chang, D Labella, S Cosconati, S Di Maro, E Novellino, M Schnekenburger, C Grandjenette, C Bouvy, M Diederich, X Cheng, P B Arimondo, A Mai. Identification of Quinazoline Analogues as Novel DNA methyltransferase 3A Inhibitors. J Med Chem submitted.

4) S Valente, Y Liu, M Schnekenburger, C Zwergel, S Cosconati, C Gros, M Tardugno, D Labella, C Florean, S Minden, H Hashimoto, Y Chang, X Zhang, G Kirsch, E Novellino, P B Arimondo, E Miele, E Ferretti, A Gulino, M Diederich, X Cheng, A Mai. Selective Non-Nucleoside

Inhibitors of Human DNA Methyltransferases Active in Cancer Including Cancer Stem Cells. J Med Chem, accepted.

5) D Rotili, S Tomassi, M Conte, R Benedetti, M Tortorici, G Ciossani, S Valente, B Marrocco, D Labella, E Novellino, A Mattevi, L Altucci, A Tumber, C Yapp, O N F King, R J Hopkinson, A Kawamura, C J Schofield, A Mai. Pan-Histone Demethylase Inhibitors Simultaneously Targeting Jumonji C and Lysine Specific Demethylases Display High Anticancer Activities. J Med Chem, accepted.

6) “DESIGN, SYNTHESIS AND BIOLOGICAL EVALUATION OF SMALL MOLECULE MODULATORS OF HISTONE METHYLATION/DEMETHYLATION” NPCF-6 - Nuove Prospettive in Chimica Farmaceutica, April 15-17 2012, Riccione, Italy.

7) “A NOVEL SERIES OF QUINAZOLINE BASED INHIBITORS OF HISTONE JUMONJI DEMETHYLASES SUBFAMILY” ESMEC - European School of Medicinal Chemistry, July 2-7, 2012, Urbino, Italy.

Mellini Paolo

1. Mellini,P.; Kokkola, T.; Suuronen, T.; Salo, H.;Tolvanen, L.; Mai, A.; Lahtela-Kakkonen, M.; Jarho, E.M. Screen of Pseudopeptidic Inhibitors of Human Sirtuins 1-3: Two Lead Compounds with Antiproliferative Effects in Cancer Cells. J Med Chem 2013, 56: 6681-6695.

2. Mellini, P.; De Vita, D.; Di Rienzo, B.; La Rosa, S.; Padova, A.; Scipione, L.; Tortorella, S.; Friggeri, L. Efficient Synthesis of 3,5-Dicarbamoyl-1,4-dihydropiridines from Pyridinium Salts: Key Molecules in Understanding NAD(P)+/NAD(P)H Pathways. J Het Chem 2013 (just accepted DOI: 10.1002/jhet.2031.

3. Rotili, D.;Tarantino, D.; Nebbioso, A.; Paolini, C.; Huidobro, C.; Lara, E.; Mellini, P.; Lenoci, A.; Pezzi, R.; Botta, G.; Lahtela-Kakkonen, M.; Poso, A.; Steinkühler, C.; Gallinari, P.; De Maria, R.; Fraga, M.; Esteller, M.; Altucci, L.; Mai A. Discovery of Salermide-Related Sirtuin Inhibitors: Binding Mode Studies and Antiproliferative Effects in Cancer Cells Including Cancer Stem Cells. J Med Chem 2012, 55: 10937-10947.

4. Mellini, P.; Carafa, V.; Di Rienzo, B.; Rotili, D.; De Vita, D.; Cirilli, R.; Gallinella, B.; Provvisiero, D.P.; Di Maro, S.; Novellino, E.; Altucci, L.; Mai A. Carprofen Analogues as Sirtuin Inhibitors: Enzyme and Cellular Studies. Chem Med Chem 2012, 7: 1905-1908.

5. De Vita, D.; Scipione, L.; Tortorella, S.; Mellini, P.; Di Rienzo, B.; Simonetti, G.; D’Auria, F.D.; Panella, S.; Cirilli, R.; Di Santo, R.; Palamara, A.T. Synthesis and antifungal activity of a new series of 2-(1H-imidazol-1-yl)-1-phenylethanol derivatives. Eur J Med Chem 2012, 49: 334-342.

6. Piccaro, G.; Filippini, P.; Giannoni, F.; Scipione, L.; Tortorella, S.; De Vita D.; Mellini, P.; Fattorini, L. Activty of Drugs Against Dormant Mycobacterium tuberculosis. Journal of Chemotherapy 2011, 23: 175-178.

7. Di Rienzo, B.; Mellini, P.; Tortorella, S.; De Vita, D.; Scipione, L. Facile and Efficient Synthesis of 4-Alkyl Derivatives of 3-Carbamoyl- and 3,5-Dicarbamoylpyridines as Nicotinamide Mimetics. Synthesis 2010, 22: 3835-3838.

8. P. Mellini, E. M. Jarho, M. Lahtela-Kakkonen, T. Kokkola, T. Suuronen, H. Salo, L. Tolvanen, and A. Mai. (communication author) “Identification of Novel Pseudopeptidic Inhibitors of Human Sirtuins 1-3 ” Cost Action Meeting (TD0905) Epigenetics Bench to BenchSide Vilnius 30th-31st October 2013.

9. P. Mellini , E. M. Jarho, M. Lahtela-Kakkonen, T. Kokkola, T. Suuronen, H. Salo, L. Tolvanen, and A. Mai. (presenting author) “ From Carbazoles to Pseudopeptides, Design and Synthesis of New Sirtuin Inhibitors ” XXIInd National Meeting on Medicinal Chemistry (NMMC 2013) Rome 10th-13th September 2013. 2 nd Poster Prize

10. P.Mellini (presenting author) “ Screen and Biological Evaluation of Pseudopeptidic Inhibitors of Human Sirtuins 1-3” European School of Medicinal Chemistry (EFMC Accredited School) Urbino, 7th-12th July 2013. Selected to give an oral presentation after the poster session

11. P. Mellini , E. M. Jarho, M. Lahtela-Kakkonen, T. Kokkola, T. Suuronen, H. Salo, L. Tolvanen, and A. Mai (short communication author) “Identification of Novel Pseudopeptidic Inhibitors of Human Sirtuins 1-3 with Antiproliferative Effect in Cancer Cells” NPCF7 New Perspectives in Medicinal Chemistry, Savigliano 29th-31st May 2013

12. M. Lahtela-Kakkonen, H. Salo, P. Mellini, and E. Jarho. (poster co-author) “Designing Substrate Mimicking Compounds as Sirtuin Modulators” XXIInd International Symposium on Medicinal Chemistry EFMC-ISMC 2012, Berlin 2nd-6th September , 2012

13. D. De Vita, L. Friggeri, P. Mellini, S. Tortorella, L. Scipione, M. Kaiser, R. Brun, R. Di Santo (poster co-author) “New Compounds with marked activity against Trypanpsoma Cruzi” 21st National Meeting on Medicinal Chemistry, Palermo 17th-20th July, 2012

14. P. Mellini , D. De Vita, V. Carafa, L. Scipione, B. Di Rienzo and L. Altucci. (poster author) “New carbazole scaffolds as SIRT inhibitors”. XXIV National Congress of the Italian Chemical Society, Lecce 11th-16th September 2011

15. L. Pescatori, D. De Vita, G. Cuzzucoli Crucitti, P. Mellini, B. Saint Joanis, R. Brosh, S. Tortorella, L. Scipione, R. Costi, R. Di Santo (poster co-author) “Design, sythesis and biological activities of new active agents against Mycobacterium tuberculosis” NPCF5 New Perspectives in Medicinal Chemistry, Trieste 28th-30th March 2011

16. L. Pescatori, D. De Vita, P. Mellini, L. Scipione, S. Tortorella, R. Di Santo, G. Cuzzucoli Crucitti, R. Costi, L. Fattorini, G. Piccaro. (poster co-author) “Activity of drugs against dormant mycobacterium tuberculosis” NPCF5 New Perspectives in Medicinal Chemistry, Trieste 28 th-30th

March 2011.

Nigro Di Gregorio Federica

Technical Reports

• Accordo di collaborazione Istituto Superiore di Sanità –Dipartimento Ambiente e Connessa Prevenzione Primaria, Reparto Igiene delle Acque Interne e Regione Puglia-Assessorato alle politiche della Salute“ Monitoraggio della qualità della risorsa idrica nell’invaso di Occhito e in distribuzione nella provincia di Foggia in relazione al fenomeno dell’alga tossica Planktothrix rubescens”, RAPPORTO FINALE, Marzo, 2012. Responsabile scientifico: Luca Lucentini, Massimo Ottaviani. Elaborazione del rapporto: Laura Achene, Sara Bogialli, Emanuele Ferretti, Luca Lucentini Federica Nigro Di Gregrorio, Massimo Ottaviani, Paola Pettine, Vincenzo Tardella, Enrico Veschetti.

• Programma CCM 2010 - PROGETTO ESECUTIVO “Supporto al Ministero della Salute nelle attività centrali di area previste nel programma CCM 2010 con particolare riguardo al monitoraggio deroghe acque potabili ed alla comunicazione” SEMESTRALE”2 Settembre 2011 – 22 Marzo 2012 Responsabile scientifico: Luca Lucentini Elaborazione del Rapporto: Massimo

Ottaviani, Luca Lucentini, Emanuele Ferretti, Laura Achene, Enrico Veschetti, Federica Nigro Di Gregorio, Valentina Fuscoletti, Mirko Baghino.

• Programma CCM 2009 - PROGETTO ESECUTIVO “Gestione del rischio da cianobatteri e loro metaboliti nella filiera produttiva delle acque destinate al consumo umano: criteri e metodi di sorveglianza, allerta e risposta ad emergenze sanitarie”, TERZO RAPPORTO SEMESTRALE, 4 marzo 2011 – 4 marzo 2012. Responsabile scientifico: Luca Lucentini Elaborazione del rapporto: Laura Achene, Emanuele Ferretti, Valentina Fuscoletti, Federica Nigro Di Gregorio.

Publications and Posters

• Congestri R, Metcalf J, Lucentini L, Nigro Di Gregorio F, Healt and safety during sampling and in the laboratory, chapter 114, Cyanocost Handbook (accepted)

• S. Bogialli, F. Nigro di Gregorio, L. Lucentini, E. Ferretti, M. Ottaviani, N. Ungaro, et al., Management of a Toxic Cyanobacterium Bloom (Planktothrix rubescens) affecting an Italian Drinking Water Basin: A Case Study., Environ. Sci. Technol. 47 (2013) 574–83.

• L. Achene, V. Fuscoletti, F. Nigro De Gregorio, M. Baghino e L. Lucentini. “Interferenti Endocrini.Quali rischi dall’acqua destinata al consumo umano”. Notiziario dell’Istituto Superiore di Sanità.Vol. 25, Num. 9, settembre 2012.

• S. Bogialli, L. Lucentini, A. Milandri, F. Nigro Di Gregorio, V. Fuscoletti. Appendice A. Metodo analitico LC/MS/MS per la determinazione di microcistine in acque grezze e trattate da destinare a consumo umano. In: L. Lucentini, M. Ottaviani per il “Gruppo nazionale per la gestione del rischio cianobatteri in acque destinate a consumo umano” (Ed.). Cianobatteri in acque destinate a consumo umano. Stato delle conoscenze per la valutazione del rischio. Volume 1. Roma: Istituto Superiore di Sanità; 2011. (Rapporti ISTISAN 11/35 Pt. 1), 2011.

• S. Bogialli, F. Nigro Di Gregorio, L. Lucentini, A. Privato, E. Ferretti, G. Favero, P. Pastore, A.Tapparo. “A case of management of a toxin cyanobacterium bloom (Plantothrix rubescens) affecting an Italian drinking water basin”. Abstract book. XXIII Convegno Nazionale della Divisione di Chimica Analitica della Societa’ Chimica Italiana, Biodola, Isola d’Elba, Italia, 16-20 Settembre, 2012.

• F. Nigro Di Gregorio, L. Lucentini, E. Ferretti, S. Bogialli, G. Favero, V. Fuscoletti, M. Baghino. “Simoultaneoous determination of fourteen cyanotoxins by liquid-chromatography-tandem mass spetrometry in the drinking water chain:Monitoring of an Italian Basin”. Abstract book. XXIII Convegno Nazionale della Divisione di Chimica Analitica della Societa’ Chimica Italiana, Biodola, Isola d’Elba, Italia, 16-20 Settembre, 2012.

• L. Lucentini, F. Nigro Di Gregorio, S. Bogialli, E. Ferretti, M. Ottaviani. “First Evidence of the Microcystin congener MC-HtyR in Italian freshwater”. Abstract book of Twelfth International Symposium on Hyphenated Techniques in Chromatography and Hyphenated Chromatographic Analysers, Bruges, Belgium, 1st – 3rd February 2012.

• F. Nigro Di Gregorio, P. Pettine, S. Bogialli, V. Fuscoletti, M. Chirico, E. Viaggiu. “Determination of cylindrospermopsin in drinking water chain in Italian basin by LC/MS/MS analysis.” Abstract book of Twelfth International Symposium on Hyphenated Techniques in Chromatography and Hyphenated Chromatographic Analysers, Bruges, Belgium, 1st – 3rd February

2012.

• L. Lucentini, V. Fuscoletti, F. Nigro Di Gregorio, E. Veschetti, L.Achene. “ I Water Safety Plans nella revisione della Dir 98/83/CE sulla qualità delle acque destinate al consumo umano. “ Convegno Nazionale. Salute ed Ambiente in Italia. Riassunti.Istituto Superiore di Sanità. Roma, 5-6

dicembre, 2011.

• L. Lucentini, F. Nigro Di Gregorio, M. Chirico, M. Ottaviani, P. Albertano, P. Bottoni. Linee guida per la gestione del rischio da cianobatteri e loro tossine in acque destinate al consumo umano. Convegno Nazionale. Salute ed Ambiente in Italia. Riassunti. Istituto Superiore di Sanità. Roma, 5-6 dicembre, 2011.

Sabia Rocchina

1) Stefano Levi Mortera,   Rocchina Sabia,  Marco Pierini,  Francesco Gasparrini and Claudio Villani. The dynamic chromatographic behavior of tri-o-thymotide on HPLC chiral stationary phases. Chem. Commun., 2012,48, 3167-3169

2) Rocchina Sabia, Alessia Ciogli, Marco Pierini, Francesco Gasparrini and Claudio Villani. Dynamic HPLC on Chiral Stationary Phases. Low Temperature Separation of the Interconverting Enantiomers of Diazepam, Tetrazepam, Prazepam and Flunitrazepam. J. Chromatogr A in preparation