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Chemistry Have a look. How the future is made – with science. Analytical Chemistry Aquatic Biotechnology Aquatic Microbiology Biofilm Centre Chemistry Education Environmental Analytics Inorganic Chemistry Instrumental Analytics Organic Chemistry Physical Chemistry Structural Chemistry Technical Chemistry Theoretical Chemistry Theoretical Organic Chemistry Water Sciences at the University of Duisburg-Essen

Chemistry - Willkommen an der Universit¤t Duisburg-Essen

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Page 1: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Chemistry

Have a look.

How the future

is made –

with science.

Analytical Chemistry

Aquatic Biotechnology

Aquatic Microbiology

Biofilm Centre

Chemistry Education

Environmental Analytics

Inorganic Chemistry

Instrumental Analytics

Organic Chemistry

Physical Chemistry

Structural Chemistry

Technical Chemistry

Theoretical Chemistry

Theoretical Organic Chemistry

Water Sciences

at the University ofDuisburg-Essen

Page 2: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Dear Colleagues,It has long been a truism that we are living in times in which the natural sciences and particularly chemistry are becoming more and more important. In material sciences, in medicine, in biochemistry, in environmental conservation: Everywhere, knowledge acquired in chemical laboratories or with the aid of conceptual models from our sci-ence contributes towards making our lives more comfortable, safer and more worth living– and in the best of cases even extending them. This will be true in the future as well.

An extremely fascinating question in the meantime is how and in which direction our inspiring science will continue to develop in the coming years and decades. The specialisation of the study groups will most certainly increase even more; at the same time, one of the major trends will be towards the continued merging of the natural science disciplines: Exciting fields of work are no longer only to be found in the “hot centres” of pure inorganic, organic or physical-chemical questions, but exactly in the areas where chemistry and biology, chemistry and pharmacology, chemistry and envi-ronmental conservation, chemistry and surface physics, chemistry and information technology touch and fertilise each other.

This is precisely where we see one of the main strengths of our subject. The study groups working here – once located at the universities of Duisburg and Essen and combined in Essen in 2003 whilst largely retaining the respective characteristic pro-files and since rejuvenated by a number of new arrivals – do not only excel because of international visibility and acknowledged research activity orientated at the state-of-the-art science in the “classical” fields of chemistry, but also precisely because of extraordinary diversity and the aspiration to become active in an interdisciplinary way. You will find examples of this in the presentation of the individual study groups from page eight of this brochure onwards.Of course, the interdisciplinary approach does not only manifest itself in new research questions, co-operation with many other study groups in “neighbouring” disciplines and the role as a driving force for the Ruhr district as a high-tech location, but also in the exist-ence of study courses as unusual as “Water Science” and “Medical-Biological Chemistry”. In the middle of the most dense university landscape in Europe, more than 33,000 students are registered at our university (one of the largest in Europe), many of them in the natu-ral and engineering sciences. Our “Chemistry” and “Water Science” courses have been adapted to the international Bachelor/Master system and officially accredited with, among other things, the “Eurobachelor” seal of quality (see page 32); at the same time, the department attaches great importance to the early and close inter-locking of study and research, even as early as in the Bachelor course. Added to this are various teacher training study courses, which through their own chair in “Chemistry Education” – one of only a few across Germany – produce especially committed and competent teachers.

Whether you want to study in Duisburg-Essen, are aspiring to a doctorate, are looking for a postdoctoral position, whether you are planning a research visit, are looking for exchange with dedicated colleagues – or just want to inform yourself of the modern fields in chemistry: We would like to extend a hearty invitation to contact us. We look forward to meeting you!

Your university lecturers at the Department of Chemistry of the University of Duisburg-Essen

The Duisburg Campus.

The Department of Chemistry at the University of Duisburg-Essen.

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Page 3: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

The Duisburg Campus.

Contents

Chemistry at the University of Duisburg-Essen

The Department

The Biofilm Centre

Study Courses

A Region Waiting to be Explored!

Contact

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7

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Scientists

Prof. Dr. Roland Boese – Inorganic Chemistry

Prof. Dr. Volker Buß – Theoretical Chemistry

Prof. Dr. Matthias Epple – Inorganic Chemistry

Prof. Dr. Hans-Curt Flemming – Aquatic Microbiology

Prof. Dr. Dr. h.c. Herman-Josef Frohn – Inorganic Chemistry

Prof. Dr. Gebhard Haberhauer – Organic Chemistry

Prof. Dr. Sjoerd Harder – Inorganic Chemistry

Prof. Dr. Eckart Hasselbrink – Physical Chemistry

Prof. Dr. Alfred V. Hirner – Environmental Analytics

Prof. Dr. Georg Jansen – Theoretical Organic Chemistry

Prof. Dr. Heinz-Martin Kuss – Analytical Chemistry

Prof. Dr. Christian Mayer – Physical Chemistry

Prof. Dr. Karl Molt – Instrumental Analytics

Prof. Dr. Wolfgang Sand – Aquatic Biotechnology

Prof. Dr. Torsten C. Schmidt – Analytical Chemistry

Prof. Dr. Axel C. Schönbucher – Technical Chemistry

Prof. Dr. Thomas Schrader – Organic Chemistry

Prof. Dr. Heinz Wilhelm Siesler – Physical Chemistry

Prof. Dr. Karin Stachelscheid – Chemistry Education

Prof. Dr. Elke Sumfleth – Chemistry Education

Prof. Dr. Dr. h.c. Reiner Sustmann – Organic Chemistry

Prof. Dr. Mathias Ulbricht – Technical Chemistry

Prof. Dr. Wiebren S. Veeman – Physical Chemistry

Prof. Dr. Dr. h.c. Reinhard Zellner – Physical Chemistry

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Page 4: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Practised, preparative work also forms

the basis of organic and inorganic pure research

at the University of Duisburg-Essen.

Page 5: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Chemistry at the University of Duisburg-Essen in its current form is the consequence of a fusion of the universities of Duisburg und Essen in 2003. The result: A department that distinguishes itself through its remarkable diversity, for the specific profiles of both faculties were deliberately retained in the fusion. In the meantime, more than 20 study groups are carrying out research into current fields in chemistry on the campus in Essen; the great diversity of subjects can be seen for example by the success of numerous study groups in the fields of analyti-cal chemistry/environmental analytics, chemistry education, technical chem-istry and theoretical chemistry, which in Essen are quite naturally located alongside the classic core chemistry subjects inorganic chemistry, organic chemistry and physical chemistry. In addition, a claim to fame across Germany is the renowned “Biofilm Centre”, which is also the crystallisation point for the “Water Science” course of studies. Questions surrounding the exciting interface between microbiology and chemistry are dealt with in this institute (see page 7).Of course, the programmatic diversity of the department is also reflected in the close co-operation with neighbouring subjects such as physics, engineering sciences, biology and medicine; additionally, in the field of educational chemistry, there is close

co-operation with the Arts in the form of pedagogy and the psychology of learning. Moreover, the department also makes essential contributions to all four profile focal points of the University of Duisburg-Essen: “Genetic Medicine and Medical Biotechnology”, “Nanosciences”, “Empirical Educational Research” and “Urban Systems – Sustainable Development, Logistics and Traffic”. Members of the department are closely integrated into numerous research groups, graduate colleges, special research

areas and focal point programmes of the German Research Foundation and the European Union as well as even co-ordinating some of them. The open concept of the department also develops a considerable attraction for the up-and-coming genera-tion of academics: More than 250 students embark on a chemistry course at the University of Duisburg-Essen every year. The department has a long tradition in

the education of chemists, environmental and water experts (via the subject “Water Science”) and teachers. The study courses were consequentially modernised in 2005 as well: Currently, the officially accredited Bachelor/Master programmes in “Chemistry” and “Water Science” are offered to students. This ensures Europe-wide comparability of the degrees (Bachelor of Science, B.Sc. and Master of Science, M.Sc.), also in terms of the Europe-wide recog-nition as Eurobachelor. Naturally, the study work is calculated in ECTS credits.

Chemistry Education

and study courses at

the cutting edge.

The Duisburg Campus.

The Department of Chemistry at the

University of Duisburg-Essen.

The Department of Chemistry

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Page 6: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Physical and theoretical

chemistry rate very highly at the

University of Duisburg-Essen.

International MattersThe Department of Chemistry at the University of Duisburg-Essen is integrated firmly into a number of international co-operations. The commitment affects both the range of studies on offer as well as the research. Thus the department actively avails itself of the opportunities offered by the ERASMUS/SOCRATES programme of the European Union, which sponsors limited stays abroad for students. Among the current partnering universities are:n Katholieke Universiteit Leuven, Belgiumn University of Plovdiv, Bulgarian Université Bordeaux 1, Francen Université Louis Pasteur de Strasbourg, Francen University of Reading, Great Britainn Politechnika Gdansk, PolandIn the field of research there are – in addition to the many individual contacts made by the university lecturers – contractually assured co-operations with the V.N. Karazhin National University Kharkiv (Ukraine), the Lomonossow University Moscow (Russia), the Kyushu University (Japan) and the N. N. Vorozhtsov Novosibirsk Institute of Organic Chemistry (Russia). Furthermore, the department is actively represented by its members in the most diverse international scientific socie-ties, advisory councils, publishing and consultant com-mittees and has assisted in developing various research questions in EU programmes. The most current findings are presented every year at numerous international con-ferences and congresses – in 2006 alone, the scientists at the department presented their work in more than 100 lectures to a broad international audience; a large number of these presentations were invited lectures. International visibility is not only a matter of course for the staff in Essen, but a specific objective.

The department attaches particular importance to high-quality teaching: Feedback from the students on lectures and seminars is evaluated regularly and taken into consideration for the further development of the range of teaching on offer. The prospective scientists and teachers are supervised particularly intensively in the first semesters in tutorial and mentor groups (see page 32/33). The practical education in the basic course takes place in newly-equipped, modern laboratories, whereas closer integration into the researching study groups is common in the main part of the course; it is also for this reason that the primarily preparative research groups will soon (2008) be able to make use of a new laboratory building. Even during the Bachelor course, students typically come into contact with research-relevant topics as early as the fifth semester – in the Master course of studies this early integration goes without saying. And it makes sense. For chemistry as a subject in Germany is tra-ditionally characterised by a high proportion of doctorates; it is expected that this trend will continue even after the migration from the “traditional” degree course of studies to the Bachelor/Master system. At the beginning of 2007, over 140 young people were pre-paring their doctorate at the department. From experience their prospects of ambitious positions in industry are very good – not least because traditionally the Department of Chemistry also looks to make contact with the users of fundamental chemical research through the active raising of externally-funded projects and repre-sents a major impetus for innovation in the region.

Page 7: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Fig1: Scanning electron micrograph of a biofilm on the rubber

coating of a valve in a drinking water system.

Right: Enlargement of the section in the left image

(Kilb et al., 2003)

Fig 2: Visualization of extra-

cellular activity of lipase

in a 48 h old biofilm of

Pseudomonas aeruginosa.

Red, long: Cells, green

clouds: Locations in which

the lipase was active

(Image: P. Tielen, from:

Wingender et al., in prep.)

The Biofilm CentreBacteria are the oldest and most successful form of life on Earth. However, they only rarely live as pure cultures. Normally, most of them live in communities, kept together by a matrix of extracellular polymeric substances (EPS).

The EPS consist of biopolymers such as polysaccharides, proteins, lipids and nucleic acids, which are able to form hydrogels. In this environment, microorganisms can form long-term stable, synergistic consortia which command a large gene pool and can degrade complex substrates; at the same time, they sequester nutrients from their environment and are better protected against external influences. In the environment, biofilms are the carriers of the biological self-cleaning power of soils, water and sediments. In that function, they are also used for the biological purification of waste water and the treatment of drinking water. On the other hand, they may provide protection for pathogenic microorganisms, which makes them a threat as a persistent source of contamination of drinking and service water systems (Fig. 1), in the food industry and above all in medicine. Biofilms are also of technical importance as they participate in processes which lead to the weath-ering of ores (biogenic leaching) and rocks – and therefore also of building materials. Even the cor-rosion of metals, which is of con-siderable economic importance, can be assisted by biofilms (“bio-corrosion”). Understanding bio-films, thus, can both contribute to better knowledge of natural material cycles as well as improv-ing approaches to solve technical problems.

Dynamic: Heterogeneous in space and time

As the dominant form of microbial life, biofilms are characterised by strong spatial and temporal het-erogeneity and dynamics. The EPS functionally fill and shape the space between the cells. This is a challenge for biofilm research which has only been met by the development of advanced micro-biological, chemical and molecular biological methods. For a long time, studies of the function and properties of extracel-lular polymeric substances in microbial biofilms suffered from the lack of suitable methods for investigation. In recent years there has been a large increase in techniques for the study of the EPS of biofilms with particular importance of in-situ and real time methods.An example for the ecological advantages of the EPS matrix is the interaction of extracellular enzymes with extracellular polysaccharides. In Fig. 2, the activity of an extracellular lipase in a Pseudomonas aeruginosa biofilm is visualized by confocal laser scanning microscopy. Palmitate, substituted with a fluorophor, is

a colourless substance. Lipase splits the fluorophor from palmi-tate and converts it into an insoluble fluorescent crystal, exactly at the location of lipase activity. The site of action can clearly be detected. Lipase forms a complex with alginate, the extracellular polysaccharide of P. aeruginosa. This complexation prevents the lipase from being washed out and, thus, provides lipase activity close to the cell. The extracellular matrix contains many different exoenzymes, quite a few of them still unknown and of interest for biotechnological purposes. They are also involved into microbial leaching, a wide-spread process for metal recovery – e.g., 30 % of the world copper production is achieved by this technology.It is known that bacterial cells can communicate. They do so by

means of low molecular weight molecules, so-called auto-induc-ers. At sufficient high cell densities, these molecules switch on cer-tain genes such as pathogenity factors, increased EPS production or others. Such cell densities are reached in biofilms. This allows for complex interactions which can possibly be influenced, thus, influencing microbial adhesion and biofilm formation.In order to take this interdisciplinary approach into account, the Biofilm Centre was founded in 2001 and comprises the groups of (i) “Aquatic Microbiology”, dealing with hygienical, biochemi-cal and physico-chemical biofilm aspects, (ii) “Molecular Enzyme Technology”, dealing with biochemistry and molecular biology of biofilms, and (iii)“Aquatic Biotechnology”, dealing with microbial leaching of metals and microbially influenced corrosion. These groups cooperate and provide the joint potency of the Biofilm Centre.

Page 8: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Prof. Dr. Roland BoeseI n o rg a n i c Ch e m i s t r y

Structural chemistryCrystal engineeringCrystallization and inhibitionSolid state structure – property

relationship

CURRiCUlUM ViTAE

DOB: 19451965-1971 Study of chemistry, University of Marburg1976 PhD, University of Marburg (G. Schmid)1991 Habilitation, University of Essen,Since 1994 Apl. Professor, University of Duisburg-Essen2000 Lady Davis Professorship, Israel

SElECTED PUBliCATionS

n M.T. Kirchner, R. Boese, W.E. Billups, L.R. Norman: “Gas Hydrate Single Crystal Structure Analysis”, J. Am. Chem. Soc. 2004, 126, 9407-9412.

n R. Boese, M.T. Kirchner, W.E. Billups, L.R. Norman: “Co-crystalliza-tion with Acetylene. Molecular Complexes with Aceton and Dimethyl Sulfoxide”, Angew. Chem. Int. Ed. 2003, 42, 1961-1963.

n D. Bond, R. Boese, G.R. Desiraju: “On the Polymorphism of Aspirin: Crystalline Aspirin as Intergrowths of Two “Polymorphic” Domains”, Angew. Chem. Int. Ed. 2007, 46, 618.

n V.R. Thalladi, R. Boese, H.-Ch. Weiss: “The Melting Point Alternation in α,ω-Alkanediols and α,ω-Alkanediamines: Interplay between Hydrogen Bonding and Hydrophobic Interactions”, Angew. Chem. Int. Ed., 2000, 39, 918-922.

n V.R. Thalladi, H.-C. Weiss, D. Bläser, R. Boese, A. Nangia, G. R. Desiraju: “C-H∙∙∙F Interactions in the Crystal Structures of some Fluorobenzenes”, J. Am. Chem. Soc. 1998, 120, 8702-8710.

n

n

n

n

www.structchem.uni-essen.de/index_engl.htm

Research Interests: The solid state of molecular compounds is still not understood, this is so even in the crystalline state, which is in the most regular form. It means that it is not yet possible to predict the arrangement of molecules in a crystal and likewise such fundamental properties as the melting point or the solubility of organic molecules.

Basic research in this field is extremely difficult due to the fact that the solid state struc-ture does not always correspond to the lowest energy form. Crystals can exist in several energetically higher modifications (polymorphy). This is why ‘crystal engineering’ is not only important for the general understanding of the solid state, it also has a high practi-cal relevance: Thus, for example, the different solubilities of polymorphic pharmaceutical active ingredients have a considerable influence on their bioavailability, in other words, their effectiveness.

Cocrystal of acetylene and

acetone in a 1:1: ratio.

The crystal was grown with

a laser at low temperature

directly on the X-ray

diffractometer..

Natural gas (methane) molecules enclosed

in cage structures, formed from water.

The water molecules are linked to one

another by hydrogen bonds. The hydrogen

atoms of the water molecules have been

omitted in the figure for clarity.

Mostly, molecules only crystallize with their own kind. However, some cases exist in which substances crystallize together with solvent molecules. Water can form cage molecules which accommodate guest molecules such as methane. Methane hydrates are stable under pressure, forming crystalline solids which can plug gas pipelines. They also exist on the ground of the sea in huge amounts and represent an enormous gas storage reservoir which could help to solve future energy problems. The fundamental understanding how gas hydrates are formed or can be decomposed is therefore of high economical relevance.If a crystal is considered as a supramolecule, composed of individual molecules which are held together by weak interactions, the crystallization process can be seen as supramolecu-lar synthesis. Consequently the cocrystallization of different kinds of molecules represent the heterogeneous synthesis which is a field of research that likewise deserves lots of inter-est. Our research group has acquired considerable expertise in the field of cocrystallization of very simple and small molecules which are liquid or gaseous at ambient conditions. It is necessary to crystallize these compounds at very low temperatures in order to determine the structures by means of X-ray diffractometry. The research group has developed a device using a laser to grow crystals at low temperatures on the diffractometer.The development of these and other crystallization techniques, the basic research in the field of crystal engineering and the application of the knowledge acquired have an equal importance for the research group.

Page 9: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

www.theochem.uni-duisburg.de/THC/members/people/buss/buss_eng.html

Prof. Dr. Volker BußTh e o re t i ca l Ch e m i s t r y

Research Interests: The Theoretical Chemistry group of Professor Buß devotes itself to the research of the structure and dynamics of photoproteins using quantum mechanical methods.

Photoproteins absorb light to produce energy and transmit stimuli, or emit light as the result of chemical reactions. Bacteriorhodopsin and rhodopsin are among the first kind. Both are membrane proteins, which pump protons through a cell wall when stimulated by light (bacteriorhodopsin in salt-loving bacteria) or activate the optic nerve (rhodopsin in the retina of vertebrates). In both cases, the chromo-phore is retinal which is converted from 11-cis- into the all-trans- in the case of rhodopsin, from the all-trans- into the 13-cis configu-ration in bacteriorhodopsin.A requirement for the high selectivity and quantum yield of these reactions is the dimensionally correct embedding of the chromophore in the environment of the pro-tein, similar to the lock and key mechanism in enzyme catalysis.The interaction with its environment manifests itself in the altered physical-chemical characteristics of the chromophore: In a vacuum, the retinal chromophore absorbs light with wavelengths beyond 600 nm, in biologically relevant environments however at around 500 nm. Spectral variations of this kind, which incidentally are also the basis for the perception of colour in the human eye, can only be calculated and understood with exceptionally high-quality quantum mechanical methods.

Interaction with the protein is also a requirement for the ultrafast isomerisation reac-tion of the chromophore. The primary reaction is already complete after only 200 fs. The enzyme catalysed reaction therefore takes place a number of magnitudes faster than the reaction in the test-tube. This can also be reproduced mathematically in molecular dynamic studies on the ab initio level, which were undertaken by the study group: A retinal molecule, shortened by the ß-ionone unit with the geometry predefined by the protein pocket was excited using the Franck-Condon principle and left to its own devices on the S

1 potential surface. After only 51 fs, the molecule arrives at a conical

intersection, through which it returns to its electronic ground state and continues the reaction to the all-trans isomer.

Structure and dynamics of retinal-binding proteins

Quantum mechanics of the excited state

Molecules in a chiral environment

CURRiCUlUM ViTAE

DOB: 19421963-1967 Degree Course in Chemistry and Pharmacy, Philipps University Marburg1970 PhD (Chemistry), Princeton, NJ (USA) (P. v. R. Schleyer) 1970-1973 Research Assistant at the Max-Planck Institute for Biophysical Chemistry, Göttingen1973 Professor, University of MarburgSince 1977 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n L. Eggers, V. Buß, G. Henkel: “The First C₂-Symmetric Monomethine Cyanine”, Angew. Chem. Int. Ed. 1996, 35, 870-872.

n V. Buß, O. Weingart, M. Sugihara: “Fast Photoisomerization of a Rhodopsin Chromophore Model - an ab Initio Molecular Dynamics Study”, Angew. Chem. Int. Ed. 2000, 39, 2784-2786.

n V. Buß, M. Schreiber, M.P. Fülscher: “Non-Empirical Calculation of Polymethine Excited States”, Angew. Chem. Int. Ed. 2001, 40, 3189-3190.

n W.A. Adeagbo, V. Buß, P. Entel: “Inclusion Complexes of Dyes and Cyclodextrins: Modeling Supermolecules by Rigorous Quantum Mechanics”, J. Inclus. Phenom. 2002, 44, 203-205.

n M. Schreiber, M. Sugihara, T. Okada, V. Buß: “Quantum Mechanical Studies on the Crystallographic Model of Bathorhodopsin”, Angew. Chem. Int. Ed. 2006, 45, 4274-4277.

n

n

n

Photoisomerisation of

11-cis retinal to all-trans

in rhodopsin

The retinal chromophore

in its passive state

in the binding pocket

of the protein.

Snapshots of the isomerisation

reaction of a shortened retinal model

following photo-excitement. The

first �0 fs of the movement on the S1

potential surface are depicted.

Page 10: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Prof. Dr. Matthias EppleI n o rg a n i c Ch e m i s t r y

www.uni-due.de/akepple/index.htm

Research Interests: The interest of this research group focuses on the various characteristics of inorganic solids – in particular those that play an important role at the boundaries between inorganic chemistry and biology.

Inorganic materials perform remarkable tasks in a surprisingly large number of biological species. Jellyfish, for example, orientate themselves using organs in which calcium sulphate hemihydrate crystallites are found; the inorganic components of the bones and teeth of mammals are comprised of calcium phosphate. Hence bone growth and pathological proc-esses, such as arteriosclerosis (the depositing of cholesterol and calcium phosphate on the vessel walls), osteoporosis and caries, can be seen as manifestations of in vivo crystal-lisation (“biocrystallisation”) or dissolution processes. In order to explore the mechanisms that shape these processes, the team is studying biogeneous minerals from biology and medicine with the aid of, among other things, synchrotron radiation methods such as high-resolution x-ray diffraction, x-ray absorption spectroscopy and microcomputer tomogra-phy, and is devoting itself to the biomimetic crystallisation of inorganic materials, such as calcium phosphate and calcium carbonate.

However, due to the high biocompatibility of these substances, biocrystallisation processes are not only of elementary importance for fundamental research, but also for modern medicine. Thus apatite coatings facilitate the ability of new bone material to grow onto the titanium surfaces of endoprosthetics. In special processes, synthetic calcium phosphate crystallites can function as a bioresorbable raw material for bone growth; individually manufactured implants made from biodegradable polymers such as polylactides and cal-cium salts or calcium phosphate ceramics (e.g. hydroxyapatite), with graded composition and porosity, are mechanically stable and are converted with time into the body’s own bone material (“Bochum skull implant”). However, bio-analogous, inorganic solids are not just suitable for applications in medicine. In biochemistry, for example, DNA-coated calcium phosphate nanoparticles with a protec-tive inorganic external coating can still be used for effective non-viral cell transfection even weeks after their manufacture. The study group is also active in the field of “classic” inorganic solid state chemistry. One example is the detailed study of manufacturing conditions for heterogeneous catalysts for methanol synthesis, which resulted in the discovery that the structure of the source mate-

rial can also have a profound influence on the catalytic activity. Therefore, no catalytically active products result from the thermolysis of Zn[Cu(CN)]

3, whereas related

bimetallic complexes with the additional introduction of ethylene diamine ligands, such as [Zn(en)]

2[Cu

2(CN)

6]

gave rise to Cu/ZnO catalysts, which were able to convert the synthesis gas (CO/CO

2/H

2) with remarkable activity.

DNA-coated nanocrystals made from calcium phosphate

are efficient vectors for the cell transfection.

The graded “Bochum skull

implant”.

The differences in porosity and

composition combine

mechanical stability with

optimal resorbability.

Solid state chemistryBiomaterialsBiomineralisation

CURRiCUlUM ViTAE

DOB: 1966 1984-1989 Degree Course in Chemistry, Technical University of Braunschweig 1992 PhD, Technical University of Braunschweig 1993 Postdoctoral Researcher, University of Washington, Seattle, USA1997 Habilitation, University of Hamburg1997-2000 Assistant Professor, University of Hamburg2000-2003 Associate Professor, University of BochumSince 2003 Full Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n S.V. Dorozhkin, M. Epple: “Biological and medical significance of calcium phosphates”, Angew. Chem. Int. Ed. Eng. 2002, 41, 3130-3146.

n A. Becker, I. Sötje, C. Paulmann, F. Beckmann, T. Donath, R. Boese, O. Prymak, H. Tiemann, M. Epple: “Calcium sulphate hemihydrate is the inorganic mineral in statoliths of scyphozoan medusae (Cnidaria)”, Dalton Trans. 2005, 1545-1550.

n V. Sokolova, I. Radtke, R. Heumann, M. Epple: “Effective transfec-tion of cells with multi-shell calcium phosphate-DNA nanoparticles”, Biomaterials 2006, 27, 3147-3153.

n R. Weiss, Y. Guo, S. Vukojević, L. Khodeir, R. Boese, F. Schüth, M. Muhler, M. Epple: “Catalytic activity of copper oxide/zinc oxide com-posites prepared by thermolysis of crystallographically defined bime-tallic coordination compounds”, Eur. J. Inorg. Chem. 2006, 1796-1802.

n H. Eufinger, C. Rasche, J. Lehmbrock, M. Wehmöller, S. Weihe, I. Schmitz, C. Schiller, M. Epple: “Performance of functionally graded implants of polylactides and calcium phosphate/calcium carbonate in an ovine model for computer assisted craniectomy and cranioplasty“, Biomaterials 2007, 28, 475-485.

n

n

n

Page 11: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

11

www.biofilm-centre.de

Prof. Dr. Hans-Curt FlemmingAq ua t i c M i c ro b i o l o g y

Research Interests: Microorganisms have organized their life in aggregates, so-called bio-films. There, they form synergistic, mixed-species microconsortia which jointly can degrade complex substrates. They are the oldest and most successful form of life on earth.

From a hygienic point of view, they can cause severe problems. In medicine, they can colonize implants, indwelling devices, bones, teeth and tissue and are difficult to control because biofilm organisms display a much higher resistance to biocides and antibiotics than free-living organisms. This is also true for biofilms in drinking water systems and in technical and natural environments. They can provide a protective habitat for patho-gens or indicator bacteria, which can enter biofilms and, possibly, multiply. As a conse-quence, such bacteria can contaminate the water. Disinfection will control cells which are disseminated from biofilms but not those which are still embedded in biofilms. Technical water systems such as those used in as paper mills, paint and automobile production, and energy generation, but also household plumbing, can contain hygieni-cally relevant organisms which represent a health hazard. This can be the case in nature too – pathogens have been found in sediments, such as beach sediments, and can be mobi-lized by flooding. Prevalence of such cases, identification of the organisms in questions and ways to sanitize and prevent health problems are some of the focal points of the research group “Aquatic Microbiology”. One advantage of the biofilm mode of life is sequestering of nutrients from the water phase. This is the principle of biological water treatment: dissolved substances

are sorbed to the biofilm in which the organisms con-vert them into metabolites (preferably water and CO

2)

and biomass. This is how waste water treatment and drinking water purification works. These processes, however, can occur at the

wrong place and time, e.g., on the surface of an ion exchanger or a separation mem-brane. Then, it is called “Biofouling”, causing clogging, increased hydraulic resistance and contamination of the water. Anti-fouling strategies usually follow a medical paradigm: killing the organisms is supposed to solve the problem. However, biofilm organisms are difficult to kill, and even if dead, they still represent a physical problem because killing is not cleaning. And as no technical system can be kept sterile, new microorganisms are introduced, using dead biomass as a nutrient source and restoring the problem.In order to influence all of these processes, fundamental knowledge of biofilms as a life form of microorganisms is required – this is where the main research interest of the Biofilm Centre lies. Microbiological, molecular-biological, chemical and physical-chemi-cal methods are applied.

BiofilmsWater microbiologyWater hygieneBiofouling Physico-chemical properties of biofilms

CURRiCUlUM ViTAE

DOB: 19471968-1972 Degree Course in Chemistry, Universities of Stuttgart and Freiburg1968-1972 Scholarship of the Fritz ter Meer Foundation1972-1977 PhD (Biochemistry), Max-Planck Institute for Immune Biology, Freiburg (Klaus Jann)1977-1978 Postdoctoral Researcher, Max-Planck Institute for Immune Biology, Freiburg1978-1994 Scientist, University of Stuttgart, Establishment of Biofilm Research Group1993 Habilitation (Engineering), University of Stuttgart1994-1996 Establishment of the Department of Biotechnology, Institute of Civil Engineering, TU Munichsince 1996 Professor (Aquatic Microbiology), University of Duisburg-Essensince 1996 Member of Board of Directors of IWW Centre for Water, Mülheim1997-1999 Visiting Professor, University of Queensland, Brisbane1999-2001 Honorary Professor, University of Pretoria, South Africa2001 Co-founder of the Bachelor-Master curriculum “Water Science”Since 2001 Founder and Managing Director of the Biofilm Centre, University of Duisburg-Essen

SElECTED PUBliCATionS

n P. Tielen, M. Strathmann, K.E. Jaeger, H.-C. Flemming, J. Wingender: “Alginate acetylation influences initial surface colonization by mucoid Pseudomonas aeruginosa”, Microb. Res. 2005, 160, 165-176.

n S. Schulte, J. Wingender, H.-C. Flemming: “Efficacy of biocides against biofilms”. In: W. Paulus (Hrsg.): Directory of microbicides for the protection of materials and processes, Chapter 6, Kluwer Academic Publishers, Doordrecht, The Netherlands 2005, 90-120.

n J. Wingender, H.-C. Flemming: “Contamination potential of drinking water distribution network biofilms”. Wat. Sci. Tech. 2004, 49, 277-285.

n B. Kilb, B. Lange, G. Schaule, J. Wingender, H.-C. Flemming: “Contamination of drinking water by coliforms from biofilms grown on rubber-coated valves”, Int. J. Hyg. Envir. Health 2003, 206 (6), 563-573.

n H.-C. Flemming: “Biofouling in water systems - cases, causes, countermeasures”, Appl. Envir. Biotechnol. 2002, 59, 629-640.

n

n

n

n

n Rubber-coated valve in

a drinking water system

with massive biofilm

growth, habitat for

coliform micro-organisms

(Kilb et al., 200�)

Scanning-electron

micrograph of a biofilm

on sand grains in a

sediment column

(Leon-Morales et al.,

in press)

Infliuence of biofilms on the hydraulic

permeability of a sand column using

the example of the transport of a

model colloid (laponite).Open circles:

Sterile column, squares: Column with

biofilm growth (Leon-Morales et al.,

in press)

Page 12: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Prof. Dr. Dr. h.c. Hermann-Josef FrohnI n o rg a n i c Ch e m i s t r y

www.theochem.uni-duisburg.de/AOC/frohn/frohn_eng.html

Research Interests: The synthesis of fluoroorganic compounds of non-metals in higher oxidation states involves particular challenges, as e.g. the noble gas fluorides XeFn

(n =2, 4) and the halogen fluorides HalFm (Hal = Br, I; m= 3,5) possess strongly oxidising molecule centres. In such cases, oxidatively stable fluoroorganic derivates Rf AFn-1 of the moderate Lewis acids BF3 , SiF4 and PF5 are principally suitable for the substitution of fluorine by fluoroorgano groups.

With their aid, prototypical representatives of the following classes of compounds can be obtained: [R

fXe]Y (R

f = aryl, alkenyl, alkynyl; Y = weakly co-ordinating anion), [R

fXeF

2]Y (R

f =

aryl); Rf HalF

m (Hal = Br, I; n = 2, 4); [R

f(R

f’)Hal]Y (Hal = Br, I); [R

f(R

f’)IF

2]Y.

CH2Cl

2 or PFP

RC≡CBF2 + XeF2 → [RC≡CXe][BF4] ≤ –40 °C

R = CF3, C

3F

7, (CF

3)

2CF, cis-, trans-CF

3CF=CF, C

6F

5, C

4H

9, (CH

3)

3C; PFP = 1,1,1,3,3-C

3H

3F

5

Starting from onium salts, polar molecular compounds such as RfXeF, R

fXeCl, R

fXeO

2CR

f, (R

f)

2IF

or (Rf)

2BrF were obtained by reactions with nucleophilic anions, which for their part enabled

access to the hypervalent, completely arylated compounds (Rf)

2Xe, R

fXeR

f’ or (R

f)

3I. Onium cati-

ons such as [RfXe]+ can be considered as addition products of the R

f+ cation to the soft Xe0 atom

and as electrophilic reagents formally they allow the transfer of [Rf]+ to nucleophilic centres.

Due to their inherent oxidising property, [RfXe]+ cations supply electrophilic R

f radicals follow-

ing one-electron reduction, which can be used preparatively. Fluoroorganofluoroboranes and -fluorosilanes are particularly suitable for the transfer of R

f groups as nucleophiles to hypervalent non-metal fluorides. More strongly nucleophilic

fluoroorganotrifluoroborates as well as fluoroorganotrimethoxyborates were successfully used in Suzuki-like coupling reactions. Very weakly nucleophilic lithium perfluoroalkyl fluoroborates proved to be suitable materials for electrolytes in Li-ion batteries and for super capacitors.In order to obtain element fluorides or their derivates in high oxidation states, elemental fluorine, or a fluorination agent based on it, is generally used. An interesting alternative path to oxidative fluorination based on inexpensive aHF was developed for the synthesis of IF

5 and

of organoiodine fluorides, RIF4 and RIF

2. Hypervalent organohalogen fluorides such as RBrF

2,

RBrF4 or the corresponding iodine compounds, are suitable for both fluorine addition as well

as for the substitution of H by F atoms in organic compounds. In such an approach, contrary to work with halogen fluorides, only inert by-products such as RBr or RI are formed.Hydrophobic polyolefin surfaces with grafted alkyleneoxy side chains can be switched to hydrophilic properties by treating with diluted fluorine gas. In this process, the side chains are preferentially fluorinated. In this manner, the contact angle with water can be lowered by around 70 °. In the absence of alkyleneoxy side chains, the treatment of smooth PP surfaces with diluted fluorine gas allows morphological changes on the surface with significantly bet-ter properties for imprinting and adherence than non-fluorinated PP and perfluorinated PTFE or FEP.

Fluoroorganic compounds of non-metalsMethodical studies for the introduction

of fluorine and fluoroorgano groupsSurface modification by fluorination

and fluoro alkylation

CURRiCUlUM ViTAE

DOB: 19441965-1969 Degree Course in Chemistry, RWTH Aachen1969 Springorum Commemorative Medal of the RWTH Aachen1971 PhD (Inorganic Chemistry), RWTH Aachen (P. Sartori)1971 Wilhelm Borchers Medal of the RWTH Aachen1986 Habilitation (Inorganic Chemistry), University of Duisburg-EssenSince 1992 Professor, University of Duisburg-Essen; Periods of Research in Novosibirsk (Russia), Thessaloniki (Greece) and Ljubljana (Slovenia)2004 Honorary Doctorate of the N.N. Vorozhtsov Institute of Organic Chemistry, Sib. Branch of the Russian Academy of Sciences, Novosibirsk

SElECTED PUBliCATionS

n H.-J. Frohn, N. LeBlond, K. Lutar; B. Žemva: “The first organoxenon(IV)compound: pentafluorophenyldifluoroxenonium(IV)-tetrafluoroborate”, Angew. Chem. Int. Ed. Engl. 2000, 39, 391-393.

n H.-J. Frohn, M. Theißen: “C6F5XeF, a key substrate in xenon-carbon chemistry: synthesis of symmetric und asymmetric pentafluorophenyl-xenon(II)derivatives”, Angew. Chem. Int. Ed. Engl. 2000, 39, 4591-4593.

n H.-J. Frohn, N.Y. Adonin, V.V. Bardin, V.F. Starichenko: “(Fluoroorgano)fluoroboranes and -borates. 9 Highly efficient cross-coupling reactions with the perfluoroorganotrifluoroborate salts K [RFBF3] (RF = C6F5, CF2=CF)”, Tetrahedron Lett. 2002, 43, 8111-8114.

n M. Ochiai, Y. Nishi, T. Mori, N. Tada, T. Suefuji, H.-J. Frohn: “Synthesis and characterization of β-haloalkenyl-λ3-bromanes: stereoselective Markovnikov addition of difluoro(aryl)-λ3-bromane to terminal acety-lenes”, J. Am. Chem. Soc. 2005, 127, 10460 - 10461.

n H.-J. Frohn, V.V. Bardin: “Organoethynylxenon(II) tetrafluoroborates [RC≡CXe] [BF4] – the first examples of isolated alkynylxenon(II) salts: preparation and multi-NMR characterisation”, Eur. J. Inorg. Chem. 2006, 3948-3953.

n

n

n [C6F�XeF2][BF4]:

The electrophilic

xenonium cation

displays a signifi-

cant contact with

the weakly

nucleophilic anion.

Page 13: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

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www.uni-due.de/akhaberhauer

Prof. Dr. Gebhard HaberhauerO rg a n i c Ch e m i s t r y

Research Interests: The research interests of this study group focus on contributions to stereochemical fundamental research. Cyclic (pseudo)peptide platforms have proven to be particularly interesting and efficient in this field.

For example, new organocatalysts can be designed on the basis of these com-pounds. Acting as the central structural principle is a platform of three different oxazoles, which are distinguished by three different substituents at the chiral centres: One of these constitutes the catalytically active centre, the two other arms are used for influencing the enan-tioselectivity.However, cyclic pseudopeptides not only act as organocatalysts, but can also represent an interesting basic scaffold for the synthesis of molecular receptors. Arbitrary substituents, which are attached to the pseudopeptide platform by simple modification, are pre-organised by sterile switching. If they exhibit groups for molecu-lar recognition, the basic conditions for the synthesis of molecular receptors have been met; their functionality has already been documented in the group’s own studies.

Pre-organisation of the arms is also the central characteristic of further pseudopep-tidic platforms. Their remarkable characteristics are the object of another of the study group’s research projects. Consequently some of the representatives of this compound class, whose arms are pre-organised in a triple-helix manner, are suitable as C

3-symmet-

rical templates for the induction of a preferred configuration. In the fixation of the three arms by an arbitrary centre – perhaps a metal – the configuration on this is definitively and predictably determined by the platform scaffold. However, the study group does not only carry out fundamental stereochemical research, but is also active in the field of natural materials chemistry and the synthesis of synthetic materials that are analogue to natural materials, for example in the modifica-tion of heterocycles of Lissoclinum cyclopeptides. The study of their biological activity is intended to enable conclusions to be drawn regarding the way in which they work.

In addition, the modification of the basic monomeric elements gives rise to new bicyclic turn mimetica.

Molecular receptors based on cyclic pseudopeptides

Peptidic platforms as organocatalystsDipeptide mimetica based on bicyclic

imidazolesPredetermination of the chirality at metal

centres by means of cyclic pseudopeptides

CURRiCUlUM ViTAE

DOB: 1970 1988-1995 Degree Course in Chemistry, Universities of Vienna and Heidelberg1998 PhD (Chemistry), University of Heidelberg (Rolf Gleiter) 1999-2000 Postdoctoral Researcher at The Scripps Research Institute, USA (J. Rebek, Jr.) 2000-2001 Laboratory Director, BASF AG, Ludwigshafen2005 Habilitation (Organic Chemistry), University of Heidelberg Since 2006 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n G. Haberhauer, F. Rominger: “Straightforward Synthesis of a Novel Class of Rigid Bicyclic Dipeptidomimetics from Simple Dipeptides: Fused Imidazole Amino Acids”, Synlett 2003, 780-784.

n G. Haberhauer, F. Rominger: “Syntheses and Structures of Imidazole Analogues of Lissoclinum Cyclopeptides”, Eur. J. Org. Chem. 2003, 3209-3218.

n G. Haberhauer, T. Oeser, F. Rominger: “A C3-symmetric molecular scaffold for the construction of large receptors”, Chem. Commun. 2004, 2044-2045.

n G. Haberhauer, T. Oeser, F. Rominger: “A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems”, Chem. Commun. 2005, 2799-2801.

n G. Haberhauer, T. Oeser, F. Rominger: “Molecular Scaffold for the Construction of Three-Armed and Cage-Like Receptors”, Chem. Eur. J. 2005, 6718-6726.

n

n

n

n

Solid state structure of a molecular

receptor. Three bipyridine arms tightly

enclose a phloroglucine molecule.

Solid state structure of a tertiary

amine with an enforced conforma-

tion. The methylene groups bonded to

the amine are arranged clockwise by

the peptidic scaffold.

New enantioselective organocatalysts from

three different oxazoles.

Page 14: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Prof. Dr. Sjoerd HarderI n o rg a n i c Ch e m i s t r y

Organometallic chemistry of alkaline-earth metal and lanthanide metal complexes

Homogeneous catalysis Material design

CURRiCUlUM ViTAE

DOB: 19631981-1986 Degree Course in Chemistry and Physics, University of Utrecht1990 PhD (Organic Chemistry), University of Utrecht (L. Brandsma)1991 H.J. Bakker Prize (Organic Chemistry) of the Royal Netherlands Chemical Society1991 Postdoctoral Researcher, University of Erlangen- Nuremberg (P.v.R. Schleyer)1992 Postdoctoral Researcher, University of California at Berkeley (A. Streitwieser)1993-1998 Postdoctoral Researcher, University Konstanz (H.-H. Brintzinger)1998 Habilitation, University Konstanz1998-2004 Private Lecturer, University Konstanz1999, 2003 Visiting Lecturer at the University of Cape Town, Republic of South AfricaSince 2004 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n S. Harder, M.H. Prosenc: “The Simplest Metallocene Sandwich: The Lithocene Anion”, Angewandte Chemie Int. Ed. Engl. 1994, 33, 1744-1746.

n F. Feil, S. Harder, K. Knoll: “Novel Calcium Half-Sandwich Complexes for the Living and Stereoselective Polymerization of Styrene”, Angewandte Chemie Int. Ed. Engl. 2001, 40, 4261.

n S. Harder: “The Chemistry of CaII and YbII: Astoundingly Similar But Not Equal”, Angewandte Chemie Int. Ed. Engl. 2004, 43, 2714-2718.

n F. Buch, J. Brettar, S. Harder: “Hydrosilylation of Alkenes with early Main Group Metal Catalysts“, Angewandte Chemie Int. Ed. Engl. 2006, 45, 2741-2745.

n J. Brettar, S. Harder: “Rational Design of Well-Defined Soluble Calcium Hydride Complex”, Angewandte Chemie Int. Ed. Engl. 2006, 45, 3474-3478.

n

n

n

www.uni-due.de/chemie/ak_harder

Research Interests: The main research interest of the Harder group is the development of the organometallic chemistry of the heavier alkaline-earth metals (Ca, Sr and Ba) and that of the lanthanide metals. The ultimate goal of this work is the discovery of new catalysts.

More than 100 years after Victor Grignard, the organometallic chemistry of the heavier alka-line-earth metals (Ca, Sr and Ba) was still in a very primitive state. Synthetic routes to the less reactive amides and alkoxides were known and the chemistry of the rather stable cyclopen-tadienide sandwich complexes had also been thoroughly explored. The Harder group, however, has developed synthetic pathways to the much more reactive benzyl complexes of Ca, Sr and Ba. Access to such highly reactive precursors paved the way to applications of alkaline-earth metal compounds in catalysis.

Organocalcium complexes feature properties that allow for unique catalytic behaviour. For example, single-site benzylcalcium catalysts for styrene polymerisation are a cross-breed between classical organolithium initiators and half-sandwich TiIII catalysts. Consequently, they combine the advantages of both and a living anionic polymerisation with considerable tacticity control can be observed. The Harder group also found a high degree of activity of organocalcium catalysts in the hydrosilylation of alkenes. This very atom-efficient reaction (no by-products), which is of great importance in the production of silicon compounds, is usually catalysed by late tran-sition metal catalysts. The main objective for research on Ca catalysts is driven especially by the biocompatibility and conse-quently non-poisonous properties of the Ca metal.Another of the goals in the project is gaining a mechanistic insight into the catalytic cycle which, until now, has not been fully understood. In this context, the synthesis of the proposed catalytically active spe-cies, a hitherto never observed molecular calcium hydride, was actively pursued. This challenge was complicated considerably by a lack of synthetic methods and the very high insolubility of CaH

2 itself. In 2006, using a subtle choice of ligands, the group succeeded in the isolation

of a hydrocarbon-soluble calcium hydride complex. The similarity of alkaline-earth metal chemistry with that of the rare earth metals logically steered the group’s research activities in this direction as well. Although rare earth metals are not that rare, their complexes remain among the least understood. The similarity of Ca(II) and Yb(II) complexes, however, is stunning. Analogue complexes cannot only be pre-pared according to the same experimental procedures, but also show strikingly similar NMR spectra and molecular structures. Alternatively, they show a completely different behaviour in catalysis and, serendipitously, Yb(II) polymerisation catalysts have been discovered that generate polystyrene of remarkably high syndiotacticity (95%).

Benzylcalcium catalysts combine the advantages of living anionic polymerisation

with considerable tacticity control.

The first

hydrocarbon

soluble

calcium

hydride

complex.

Page 15: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

1�

www.phchem.uni-essen.de/photochem/photochem_e.shtml

Nanostructuring of surfaces for functionalisation with organic monolayers

Gas-surface dynamics in particular non-adiabatic processes at surfaces

Surface photochemistryTime-resolved dynamics of vibrations

at surfaces

CURRiCUlUM ViTAE

DOB: 19561976-1981 Degree Course in Physics, University of Göttingen1985 PhD (Physics), University of Göttingen1986-1987 Postdoctoral Researcher, Stanford University1987 Reimar-Lüst Scholarship of the Max-Planck Society1988-1997 Senior Scientist at the Fritz-Haber Institute of the Max-Planck Society1992 Karl-Scheel Prize of the Physikalische Gesellschaft zu Berlin1993 Habilitation (Physical Chemistry), Free University Berlin1994 Lecturer Scholarship by the Fonds of the Chemical Industry1997-98 Lecturer for Fysik, Odense Universitet, DenmarkSince 1998 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n D. Dahlhaus, S. Franzka, E. Hasselbrink, N. Hartmann: “1D nanofab-rication with a micrometer-sized laser spot”, Nano Lett. 2006, 6, 2358.

n O. Autzen, C. Wesenberg, E. Hasselbrink: “Photochemistry on thin metal films: Probe of electron dynamics in metal-semiconductor het-erosystems”, Phys. Rev. Lett. 2006, 96, 196807.

n K. Laß, Xu Han, E Hasselbrink: “The surprisingly short vibrational lifetime of the internal stretch of CO adsorbed on Si(100)”, J. Chem. Phys. 2005, 123, 051102.

n T. Balgar, S. Franzka, N. Hartmann, E. Hasselbrink: “Preparation of submicron-structured alkylsiloxane monolayers using prepatterned silicon substrates by laser direct writing”, Langmuir 2004, 20, 3525.

n M. Binetti, E. Hasselbrink: “Abstraction of oxygen from dioxygen on Al(111) revealed by resonant multiphoton ionization laser spectrom-etry”, J. Phys. Chem. 2004, B 108, 14677.

n

n

n

n

Prof. Dr. Eckart HasselbrinkP hy s i ca l Ch e m i s t r y

Research Interests: This research group studies elementary chemical reactions on sur-faces. The aim is to learn about the motions of the molecules during a chemical reaction, in order to find out where the energy for the reaction comes from and where the excess energy goes to.

To reach these goals, the group uses molecular beams that allow the impinging of cold molecules onto clean surfaces in an ultra-high vacuum environment. Lasers are used to initiate chemical reactions and to analyse the products of the reaction: Laser spec-troscopy not only allows the detection of minute quantities of reaction products, but also the determination of how they carry the excess energy from the reaction – in great detail, namely down to the population of individual quantum states.Recently, the group turned to a complementary question. If a reaction takes place on a metal surface, it can couple to a large density of electronic states in the solid. Variable amounts of the reactant’s energy, and of course the excess energy, can be dissipated into these degrees of freedom; so there may always be a certain amount of non-adiaba-ticity. To date, the true amount of this energy “drain” is still unknown: There is a lack of knowledge regarding systems for which this is a large amount and for which the sophis-ticated calculations of potential energy surfaces that are possible today are not safe.These questions may be answered if metal-insulator-metal systems with layers in the nm range are used as detectors. If the chemical reaction takes place on the top elec-trode, energy dissipation into the electronic system results in a tunnel current through the underlying insulating oxide layer. This current also allows spectroscopy of the electronic excitations. Initial experiments exposing transition and noble metal surfaces to atomic hydrogen show that a significant amount of energy indeed is transferred to electronic excitations of the solid. Another focus of Hasselbrink’s group is the generation of templates for chemical reac-tions with a structure width of 100 nm, using a focused Ar+ ion laser beam. The laser converts e.g. hydrogen-terminated silicon to silicon oxide. If Si surfaces treated in this manner are exposed to alkyltrichlorsilanes, these molecules form a structured organic monolayer on the sample surface by self-assembly. This monolayer is structured as the organic monolayer only “grows” where the laser has previously marked the surface. In a subsequent step these specified areas can selectively be functionalised to become chemically active. This technique combines two different approaches to obtain nanoscaled structures: Laser writing as a top-down approach and self-assembly as a bottom-up approach, where nature does the job. The result is a very versatile process: The writing procedure is fast and can treat large areas. The resulting structured monolayers may serve as a starting point for – amongst other things – studies on the properties of nanostruc-tures or kinetics in confined areas.

A line of Au clusters (diameter: 16 nm) grown on

a silicon surface, prepared by controlled laser

writing with an Ar+ ion laser into a self-

assembled organic monolayer and sub-

sequent chemical functionalisation.

Page 16: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Prof. Dr. Alfred V. HirnerEnv i ro n m e n t a l A n a l y t i c s

Elemental speciation: Method development and application

Metal(loid) organic compounds in the environment and human metabolism

Mobility and fingerprinting of contaminants in the environment

CURRiCUlUM ViTAE

DOB: 19471967-1973 Degree Course in Physics, Technical University of Munich1976 PhD, Technical University of Munich1983 Habilitation, Technical University of Munich1983 Heisenberg Award of the DFG Research Fellow at the University of Munich1986 Research Fellow at the DSIR (Lower Hutt, New Zealand) Research Fellow at the Baas Becking Geobiology Laboratory (Canberra, Australia)1988 Professor (Geochemistry), University of MainzSince 1990 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n A.V. Hirner, D. Flassbeck: “Speciation of Silicon” in: R. Cornelis et al. (Hrsg.): Handbook of elemental speciation, J. Wiley & Sons 2005, chapter 3.17.

n A.V. Hirner: “Speciation of alkylated metals and metalloids in the environment”, Anal. Bioanal. Chem., 2006, 385, 555-567.

n E. Dopp, L.M. Hartmann, A.M. Florea, A.W. Rettenmeier, A.V. Hirner: “Environmental Distribution, Analysis and Toxicity of Organometal(loid) Compounds”, Crit. Rev. Toxicol. 2004, 34, 301-333.

n M. Sulkowski, A.V. Hirner: “Element fractionation by sequential extraction in a soil with high carbonate content”, Appl. Geochem. 2006, 21, 16-28.

n S. Becker, A.V. Hirner: “Characterisation of crude oils by carbon and sulphur isotope ratio measurement as a tool for pollution control”, Isotopes Environ. Health Stud. 1998, 34, 255-264.

n

n

n

www.uni-essen.de/umweltanalytik/umweltanalytik/startseite/umweltanalytik.html

Research Interests: It is generally known in modern environmental chemistry that the behaviour and important properties (such as mobility or toxicity) of chemical elements depend on their binding form, i.e. chemical species. Thus, chemical speciation is a very powerful tool in environmental research.

To achieve this goal, the fundamental analytical prerequisite is to develop suitable methods for elemental speciation of gaseous, liquid and solid environmental and biological samples on the basis of chromatographic separation techniques monitored online by a multi-ele-ment detector (mainly ICP-MS).Based on the institute’s earlier findings regarding the distribution of alkylated metals in environmental compartments (gases, waters and solids), a research group was established in order to understand basic biomethylation processes, as well as to evaluate the genoto-xic/neurotoxic effects of chemical species exposed to man. Furthermore, efforts are made to focus on similar methylation processes occurring in the course of human metabolism and thus eventually on finding out how these processes, together with the environmental exposure of alkylated metal(loid) species, will affect human health. Another future objec-tive is the investigation of metal-protein associations and their role in metabolism and toxicology.

Environmental system simulation.

Although molecular speciation is a challenging task and the final goal of any speciation effort, the complexity of natural materials may limit the applicability of the respective analytical methods and so, in cases like contaminant mobility testing of contaminated soil and waste, less potent but practicable methods like sequential extractions or elution tests are used.Altogether, the chemical parameters described along with others, such as the distribution of stable isotopes, enable forensic applications, i.e. to discover information concerning the origin and processes accompanying the history of environmental samples.

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Prof. Dr. Georg JansenTh e o re t i ca l O rg a n i c Ch e m i s t r y

Research Interests: The development and application of quantum chemical methods for the exact calculation of the interaction energies between molecules is the focus of interest for this research group.

As a part of this, two objectives are of foremost importance: The quantum chemical methods employed should be as efficient as possible and should contribute towards a better understanding of the forces acting between the molecules. Both objectives can be achieved using a combination of density functional theory (DFT) and symmetry-adapted perturbation theory (SAPT). With a combination of both methods (DFT-SAPT), the interaction energy can be obtained as the sum of the electrostatic, induction and dispersion energies and their repulsive corrections, which take the exchange of electrons between the molecules into account. Through the introduction of density-fitting approximations, the method is so efficient that it can be used to calculate the potential energy hypersurfaces of medium-sized systems.Apart from hydrogen bonds, the research studies also extend to CH-π, CH-lone pair, π-π and stacking interactions, which are important for DNA. The list of systems studied includes the dimers acetylene-benzene, acetylene-furan and acetylene-pyridine and benzene-benzene, which are used to investigate the competition between CH-π, CH-lone pair and π-π interactions. Hydrogen-bonded and stacked structures of purine and pyrimidine bases of DNA are also studied in detail.The calculation of larger aggregates of acetylene and ammonia helped to clarify the structure of the corresponding 1:1 cocrystal. For the water dimer, it was possible to derive a potential energy hypersurface which is constructed from the individual per-turbation theory contributions to the interaction energy. In addition to this, it repro-duces very well both the results of supermolecular coupled cluster calculations and the second virial coefficient corrected for quantum effects. As demonstrated in the past on the dimer from an argon atom and a carbon monoxide molecule and on the carbon monoxide dimer, the aim is ultimately the construction of potential surfaces, which both predict the spectroscopic data of the dimer almost quantitatively and, in further calculations of larger molecular aggregates right up to liquids, polymers and solids, lead to improved predictability.Another focal point of the research group is the analysis of molecular charge distribu-tions and chemical bonding. For this, a combination of the theory of atoms in mol-ecules and the electron localisation function is employed. This also allows a detailed understanding of somewhat “more exotic” polar bonds, for example, heteropolar metal-metal bonds in two-core metal complexes.

Theory and calculation of intermolecular interactions

Analysis of molecular charge distributions and chemical bonding

CURRiCUlUM ViTAE

DOB: 19631983-1988 Degree Course in Chemistry, University of Bonn1992 PhD, University of Bonn (B.A. Heß)1993 Edmund ter-Meer Prize1993-1996 Postdoctoral Researcher, University of Nancy I, France (J.G. Ángyán und J.-L- Rivail)1994 Heinz-Maier-Leibnitz Prize1996-2000 Research Assistant, University of Düsseldorf1999 Bennigsen-Foerder Award2000 Habilitation, University of Düsseldorf2001 Visiting Professor, University of Lille I, France2001-2002 Professor, University of Lille I, FranceSince 2002 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n A. Heßelmann, G. Jansen, M. Schütz: “Density-functional theory – symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies”, J. Chem. Phys. 2005, 122, 1-17.

n A. Heßelmann und G. Jansen: “Intermolecular dispersion energies from time-dependent density functional theory”, Chem. Phys. Lett. 2003, 367, 778-784.

n G. Jansen, M. Schubart, B. Findeis, L.H. Gade, I.J. Scowen, M. McPartlin: “Unsupported Ti-Co and Zr-Co bonds in heterobimetallic complexes: A theoretical description of metal-metal bond polarity”, J. Am. Chem. Soc. 1998, 120, 7239-7251.

n G. Jansen: “The rovibrational spectrum of the ArCO complex cal-culated from a semiempirically extrapolated coupled pair functional potential energy surface”, J. Chem. Phys. 1996, 105, 89-103.

n J.G. Angyan, G. Jansen, M. Loos, C. Hättig und B.A. Heß: “Distributed polarizabilities using the topological theory of atoms in molecules”, Chem. Phys. Lett. 1994, 219, 267-273.

n

n

electrostatic

exchange

induction

exchange-induction

dispersion

exchange-dispersion

high-order induction

total

-100 -50 0 50Energy contribution [kJ/mol]

Energy contributions to the stacking interaction

between Adenine-Thymine and Cytosine-Guanine

base pairs of B-DNA.

Page 18: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Prof. Dr. Heinz-Martin KussA n a l y t i ca l Ch e m i s t r y

Sample pre-concentration and matrix separation by solid state extraction and FIA

Graphite furnace atomic absorption spectrometry

Mechanisms of simultaneous GF-AASAtomic absorption spectrometry (AAS)New sorbents for the enrichment of

heavy metals

CURRiCUlUM ViTAE

DOB: 19441963-1966 Apprenticeship in Chemistry at Electro-Steel Plant Hoffmann1966-1969 Education at the School of Engineering (Chemistry) in Jülich1969-1972 Degree Course in Chemistry, RWTH University, Aachen1974 PhD (Chemistry), RWTH University, Aachen (P. Sartori)1974 Borchers Medal of the RWTH University, Aachen1974-1996 Scientist and Lecturer at the Gerhard-Mercator University Duisburg1996 Habilitation, Duisburg1998 Gold Medal of the Technical University of Kosice (Slovakia)Since 2003 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n H.-M. Kuß, H. Mittelstädt, G. Müller: “Laser-induzierte Optische Emissionsspektrometrie für schnelle Bestimmung von Gefügestrukturen – Fast determination of grain structures in steels by Laser-induced Optical Emission Spectrometry”, Stahl u. Eisen 2005, 125, 25-27.

n H.-M. Kuss, H. Mittelstaedt, G. Müller: “Quantification of Non-metallic Inclusions in Ferrous Materials by Fast Scanning Laser-induced Optical Emission Spectrometry” J. Anal. At. Spectrom. 2005, 20, 730-735.

n H.-M. Kuss, H. Mittelstädt, G. Müller, C. Nazikkol: “Fast Scanning Laser-OES: Part II. Sample material ablation and depth profiling in met-als”, Analytical Lett. 2003, 36, 667-677.

n H.-M. Kuss, H. Mittelstädt, G. Müller, C. Nazikkol: “Fast Scanning Laser-OES: Part I. Characterisation of non-metallic inclusions in Steel”, Analytical Lett. 2003, 36, 659-665.

n H.-M. Kuß, S. Lüngen, G. Müller, U. Thurmann: “Comparison of Spark-OES for Analysis of Inclusions in the Steel Matrix”, Analytical and Bioanalytical Chemistry 2002, 374, 1242-1249.

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http://lims.uni-duisburg.de/index.htm?Forschung/Kuss/ag_kuss/Index.htm

Research Interests: The current research focal points of the group associated with Heinz-Martin Kuss lie on the improvement of spectrometric analysis methods.

So, for example, the decidedly sensitive AAS used for determining very low element con-tent has the disadvantage of highly disruptive interference due to accompanying elements and compounds in the sample. This considerably reduces the strength of evidence pro-vided by the method for many real matrices. In order to get to grips with this challenge, the study group has developed a new graphite oven for the atomic absorption spectrometry (AAS). The essence of the innovation (EFFI – Electrothermal Flow Fractionation Interface) is a T-shaped graphite atomiser: In co-operation with a chromatographic measurement tech-nique, it enables the user to measure samples with otherwise very strong matrix influences directly and without compromising the sensitivity of the verification.

Standing in contrast to the efforts made in removing the influence of interfering elements in the graphite oven AAS is the considerable interest in also using the high verification sen-sitivity of the method for simultaneous element determination. Although this is possible in principle, as a rule compromise conditions for this during heating up in the graphite oven need to be found, which are fundamentally accompanied by a loss in the verification sensi-tivity. Also, not every combination of elements is suitable for simultaneous determination. The group is therefore pursuing the objectives of minimising the verification loss and being able to make predictions, based on the physical and chemical properties of element com-pounds, as to which elements in a sample can be determined simultaneously in one run. Interest is also focused on other methods of analysis. Thus the group is working on the development of new analytical methods for inorganic parameters in aqueous solutions using automated photometric systems and is attempting to make the microwave-induced plasma emission spectroscopy usable for the characterisation of volatile compounds in gas chromatography. In co-operation with the Technical University of Kosice (Slovakia), application procedures of a new arc spectrometer with sensor-based CCD optics are being developed.Another focal point is the development of efficient methods for sample pre-concentration and matrix-separation by solid state extraction and FIA (flow injection analysis), especially for environmental related elements. For example, the group is searching for new sorbents for heavy metal enrichment with the aim of reducing the verification limits for entire analysis methods even further. These sorbents adsorb elements from the sample solution using complexing reagents, which are immobilised at the sorbent. Methods for sample enrichment by pre-concentration on PUF (poly-urethane foam) have also been developed for the veri-fication of antibiotics by solid phase spectral resonance spectrometry.

EFFI (left) vs. classical GAAS: Cadmium in undiluted urine

(EFFI temperature program: Drying 1�0°C, atomization 2000°C).

EFFI – Electrothermal Flow Fractionation Interface

(cross section of the T-type device).

1: Evaporated sample, 2: Carrier gas, �: Separation

phase, 4: Fractionation, �: Measuring zone.

Page 19: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

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www.relaxation.chemie.uni-duisburg-essen.de/mayer/mayer.html

Prof. Dr. Christian MayerP hy s i ca l Ch e m i s t r y

Research Interests: The study group’s research activity focuses on the preparation and characterisation of nanostructured soft matter. In particular, this includes nanopar-ticles from polymers or organic materials which, for instance, are used as carrier systems in pharmaceutics.

The most interesting representatives of pharmaceutically relevant organic carriers are hollow nanocapsules with liquid content. The formation of these nanocapsules is normally initiated by an emulsion, which has been prepared in advance. In the process, the surface of the dispersed droplets serves as a matrix for the formation of supramo-lecular structures, which can then be stabilised by complete or partial interlacing via covalent bonds. The diameter of the nanocapsules produced in this way can be regu-lated within a range between 100 and 1000 nm. This inhomogeneity of the samples and the relatively low concentration of the encapsulated components represent a particular challenge for analytical methods. If solid, dispersed nanoparticles are observed in a liquid phase, one can find mobile, low-molecular components in co-existence with finely-distributed solids in a mini-mum of space. This inho-mogeneity of the samples and the relatively strong dilution of the solid parts contained within them make particular demands on the experimental meth-ods.

However, nuclear magnetic resonance offers a series of good starting points for the analysis of nanoscaled systems: In addition to determining the chemical structure of each component of the system, it can simultaneously determine their molecular mobility. Therefore, as the only non-destructive process, it allows, for example, the dif-ferentiation of encapsulated and non-encapsulated components, the tracing of phase transformations, the characterisation of exchange processes on particle surfaces or through nanocapsule walls, as well as the time-resolved observation of degradation processes and the release of active ingredients. Among the multitude of NMR measurement techniques, four are particularly suited for dealing with the questions at hand: The (1H)-13C cross-polarisation, measurement under sample rotation, the use of pulsed field gradients and relaxation measure-ments. A numeric simulation process, which reproduces the respective experiments to any degree of good approximation under application of the most important system parameters (particle size and the constants of rotational diffusion and lateral diffusion, exchange constants, among others), assists the study group in the evaluation of the results of the measurements. By the systematic comparison of the data determined in experiments and simulated data, all components of the system are characterised with regard to their location and their behaviour, from which a complete picture of the structure of the nanoparticles is created step by step. At the same time, the study group is also investigating organic coatings for magnetic nanoparticles and natural gels. Biofilms, for example, come under the last-mentioned category, but so do collagens and gelatines.

Nanostructured soft matter: Nanocapsules, multilayer, gels

Structural identification and study of their formation mechanisms and reaction kinetics with the aid of magnetic resonance spectroscopy, videomicroscopy and AFM.

CURRiCUlUM ViTAE

DOB: 19581978-1986 Degree Course in Chemistry, Universities of Stuttgart and Cincinnati, USA1989 PhD (Chemistry), University of Stuttgart (G. Kothe)1990-1992 Laboratory Manager, Hoechst AG, Frankfurt 1992-1993 Laboratory Manager, Polymer Composites Inc., Winona, Minnesota, USA1993-1996 Group Manager, Hoechst AG, Frankfurt 2001 Habilitation, University of Duisburg Since 1996 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n C. Mayer, D. Hoffmann, M. Wohlgemuth: “Structural analysis of nanocapsules by nuclear magnetic resonance”, International Journal of Pharmaceutics 2002, 242, 37-46.

n M. Wohlgemuth, C. Mayer: “Pulsed field gradient NMR on polybutylcyanoacrylate nanocapsules”, J. Colloid Interface Sci. 2003, 260 (2), 324-331.

n A. Rumplecker, S. Förster, M. Zähres, C. Mayer: “Permeability of vesicle membranes: a field gradient NMR study”, J. Chem. Phys. 2004, 120 (18), 8740-8747.

n A. Terheiden, B. Rellinghaus, S. Stappert, M. Acet, C. Mayer: “Spontaneous embedment and self-organization of nanoparticles in phospholipid multilayers”, J. Chem. Phys. 2004, 121, 510.

n C. Mayer: “NMR studies of nanoparticles”, Annual Reports on Nuclear Magnetic Resonance Spectroscopy 2005, 55, 205-258. “Distributed polarizabilities using the topological theory of atoms in molecules”, Chem. Phys. Lett. 1994, 219, 267-273.

n

n

Symbolic representation

of a polyalkylcyanoacrylate

nanocapsule.

polyalkylcyanoacrylate nanocapsules

surfactant(block-copolymer)

capsule walls frompolyalkylcyanoacrylate

oil phase(e.g. triglyceride)

encapsulatedactive ingredient

200 – �00 nm

Page 20: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Prof. Dr. Karl MoltI n s t r u m e n t a l A n a l y t i c s

http://lims.uni-duisburg.de/index.htm?Forschung/Molt/ag_molt/Molt.htm

Research Interests: In chemical analysis today there is a strong cost-driven trend to transfer analytical instruments from the laboratory directly to the factory (at line) or into the process (in-line). For this purpose, analytical results have to be obtained more or less automatically, without human interaction. Nevertheless, they have to be as reliable as possible. So there is a demand for new robust measurement and evaluation techniques.

Therefore the research focus of the study group lies on the development of industrial appli-cations of optical spectroscopy in the middle and near infra-red – a spectral field in which atoms in molecules and solids are excited to make them vibrate.One of the analytical applications of vibrational spectroscopy is for example the study of thin layers applied to metals, which find use in corrosion protection, for instance. However, as it is very specific and can be applied to a broad spectrum of substances, IR/NIR spectros-copy is also well suited for the general identity and process control of chemical and pharma-ceutical products. Possible goals in the development and application of new measurement techniques are e.g. controlling the identity of PVC by diffuse reflectance resp. ATR in the middle infra-red, or analysing the active ingredients of pharmaceuticals by transmission measurements in the near infra-red. Over the years, the group has developed some process analytical methods for companies like Unichema, BASF, ROW, Milkana, Verseidag Indutex etc.

However, large amounts of data are gathered in these studies (for exam-ple, in FT-IR spectroscopy), which must be evaluated as efficiently as possible in order to achieve optimum use of their information content. An additional research focal point arises from this, namely chemometrics, which deals on the one hand with the math-ematical and numerical methods required for the evaluation of the data (for example factor, Fourier and wavelet analysis), but on the other

hand also includes aspects of statistical quality control, which today play an increasingly important role in everyday practice. The study group therefore also deals intensely with the development of new statistical and mathematical methods for evaluating the data delivered by analytical instruments.Furthermore, the group is participating in working groups and institutions promoting pro- cess analytical methods or establishing new standards (DIN) in this field.

Operational and process spectroscopy in the middle and near infra-red

Vibrational spectrometric surface analytics of steel and aluminium

Mathematical and statistical methods in chemistry (chemometrics)

CURRiCUlUM ViTAE

DOB: 19451964-1971 Degree Course in Chemistry, Technical University of Stuttgart 1974 PhD (Chemistry), University of Ulm 1974-1978 Postdoctoral Researcher, University of Ulm 1978-1984 Perkin-Elmer GmbH, Überlingen Since 1984 Professor, University-GH Duisburg

SElECTED PUBliCATionS

n K. Molt: “Aufnahme von Infrarot-Emissionsspektren dünner Schichten auf Metalloberflächen mit Hilfe eines rechnergekoppelten Gitterspektrometers”, Fresenius Z. Anal. Chem. 1981, 308, 321-328.

n K. Molt, M. Pohl, R. Seidel, B. Mayer: “IR-Spectroscopic Investigations on Phosphated Galvanized Steel”, Mikrochim. Acta, 1994, 116, 101-109.

n K. Molt: “How safe are NIR-library systems? Information-theoretical and practical aspects”, Fresenius J. Anal. Chem., 1997, 359, 67-73.

n U. Depczynski, K. Jetter, K. Molt, A. Niemöller: “Quantitative analysis of near infrared spectra by wavelet coefficient regression using a genetic algorithm”, Chemom. Intell. Lab. Syst. 1999, 47 (2), 179-187.

n K. Molt, A. Schlachter: “Identitätskontrolle von PVC und PVC-rel-evanten Hilfsstoffen mit Hilfe der IR/NIR-Spektroskopie”, VDI Berichte 2006, 1959, 3-26.

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Representation of the above shown spectra in the computer calculated

coordinate system of the first two Principal Components. Each PVC

species forms its own cluster. Thereby NIR spectrometry can be used as

a fast method of identity control of PVC.

NIR-spectra of seven different kinds of PVC powders.

The spectra were taken in diffuse reflectance.

Page 21: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

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Prof. Dr. Wolfgang SandAq ua t i c Bi o te c h n o l o g y

http://biofilmforschung.de/englisch/biotech/Mainframe.htm

Research Interests: The focal point of the Wolfgang Sand’s study group is the investiga-tion of ways in which biofilms on the surfaces of solids – or their products – can be made technically usable. Current objectives are the development of innovative, biological techniques for bioleaching of metals, for corrosion prevention methods or bioreagents for sulphide ore flotation.

Bacterial cells can attach themselves directly to the surfaces of solids. This can be exploited in technical flotation processes. At the same time, this is the most important sorting process worldwide for the preparation of close-grained raw materials such as carbon. Conventional processes for the separation of mineral sulphide inclusions, such as pyrite, are still based on the use of highly-toxic suppressor reagents, such as sodium cyanide, which adsorb selectively on the mineral sulphides and lead to a hydrophili-sation of the surface of the solid. They could be meaningfully complemented by the specific use of extracellular polymeric substances (EPS), which play an important role in the attachment to the cells. However, EPS can also specifically alter the electrochemical surface characteristics of a material and so help to inhibit corrosion. In order to develop a biological corrosion protection for metals, EPS from naturally-occurring biofilms, which display a correspondent activity, must first be identified and characterised in respect of their structure and chemical composition. The long-term objective is the development of synthetic and inexpensive analogues.EPS also have considerable potential in bioleaching. This term means the microbiologi-cally-influenced oxidation of difficultly-soluble metal sulphides, which are naturally present in the ground. Bioleaching has gained in commercial importance, in particular for the extraction of valuable metals from low-grade ores, whose preparation by con-ventional, chemical-physical methods (calcination, smelting) incurs disproportionately high costs due to the low metal content. The strongly acidophilic, chemolithoau-totrophic, ferrous ion-oxidising bacteria of the Acidithiobacillus ferrooxidans and Leptospirillum fer-rooxidans types rank high among the relevant leaching organisms. They are investigated in-depth in the study group.

BiotechnologyBiochemistry and ecology of micro-

organismsBioleaching and acid mine/rock drainageBiocorrosion of materials (MIC) Inhibition, biofilms and biofouling

CURRiCUlUM ViTAE

DOB: 19501970-1976 Degree Course in Biology, University of Hamburg1981 PhD (Microbiology), University of Hamburg1981-1991 Research Assistant, University of Hamburg (E. Bock)1991 Habilitation (Applied Microbiology), University of Hamburg1994 Private Lecturer for Applied Microbiology, University of Hamburg2000-2001 Visiting Professor, Univ. de Nord, Baia Mare, Rumania2004-2005 Visiting Professor, Univ. Nacional la Plata, ArgentinaSince 2004 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n W. Sand: “Importance of hydrogen sulfide, thiosulfate, and meth-ylmercaptan for growth of thiobacilli during simulation of concrete corrosion”, Appl. Environ. Microbiol. 1987, 53, 1645-1648.

n T. Gehrke, J. Telegdi, D. Thierry, W. Sand: “Importance of extracellu-lar polymeric substances from Thiobacillus ferrooxidans for bioleach-ing”, Appl. Environ. Microbiol. 1998, 64, 2743-2747.

n W. Sand (2001): “Microbial Corrosion and its inhibition”, in: H.J. Rehm, G. Reed, A. Pühler, P.J.W. Stadler (eds.): Biotechnology, Vol. 10, 2nd edition, Wiley-VCH, Weinheim 2001, 265-318.

n T. Rohwerder, T. Gehrke, K. Kinzler, W. Sand: “Bioleaching Review Part A: Progress in bioleaching: fundamentals and mechanisms of bacterial metal sulfide oxidation”, Appl. Microbiol. Biotechnol. 2003, 63, 239-248.

n W. Sand, T. Gehrke: “Extracellular polymeric substances medi-ate bioleaching/ biocorrosion via interfacial processes involving iron(III)ions and acidophilic bacteria”, Res. Microbiol. 2006, 157, 49-56.

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The group has found another field of study in the development of a rubber seal on the basis of elastomer-fibre mixtures that has the ability to swell up. The objective is the provision of a self-repairing sealing system for waste-water drainage pipes, which is designed to help prevent leaks and the associated discharge into the ground water table or leakage of waste water. The starting point is the idea of a seal element that uses fibres that can swell up and rubber elastomers, which swells up homogenously in the event of damage and brings about self-repair. Various decomposition tests are carried out in order to test the microbiological stability of the fibres and the findings are visualised using modern microscopy methods (AFM, CLSM).

AFM image of a bacterial cell

with cell-free EPS (arrows) on a pyrite surface.

Page 22: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

www.uni-duisburg-essen.de/iac/schmidt

Prof. Dr. Torsten C. SchmidtA n a l y t i ca l Ch e m i s t r y

Research Interests: The research interests of the Chair of Instrumental Analysis are based in two fields: Analytical Chemistry and Environmental Chemistry.

In the field of analytical chemistry, the group’s work mostly involves the development of new separation techniques. In gas chromatography the group is focusing on the use of a variety of solventless extraction/enrichment techniques, such as solid phase micro-extrac-tion (SPME) and in-needle trap techniques. These allow the sensitive and automated analy-sis of volatile and semi-volatile organic compounds in aqueous matrices, with the emphasis on polar non-ionic compounds that are well soluble in water. In HPLC the group develops and utilises online extraction systems and subcritical water chromatography. In both areas an additional research interest lies in an increase of separation efficiency by multidimen-sional chromatography. A special area of interest is the hyphenation of compound-specific isotope analysis (CSIA) with GC and HPLC separations. Furthermore, Schmidt develops applications for real-world problems. Quite often this is related to his interest in the fast-growing area of environmental chemistry. Here, the focus of the research activities is on sources, behaviour and fate of organic contaminants in the environmental compartments soil and water. This includes the identification and quanti-fication of organic trace compounds in environmental matrices as a direct application of the above-mentioned new analytical methods. The focus is on phase-transfer processes at aqueous interfaces. In order to study these processes, the group combines experimental work and modelling, in particular using chemical probe concepts and linear free energy relationships (LFERs), respectively. Further areas of research consist of source apportion-ment and differentiation of immission pathways (e.g., diffuse vs. point sources), and abiotic and biotic transformations in water, e.g., dehydrochlorination vs. reductive dechlorination of highly chlorinated ethanes. Finally, the group is active in fundamental studies of water treatment methods, including sorptive and oxidative technologies. The processes and transformations described are studied to a large extent by applying compound-specific stable isotope analysis (CSIA) for carbon, hydrogen, nitrogen and oxygen. Amongst the compounds that have been intensively studied by the group are fuel oxygena-tees such as methyl tert-butyl ether (MTBE). Other compound classes currently of special interest include halogenated alkanes and other volatile organic compounds, perfluorinated compounds, heterocyclic nitrogen compounds, and amines.The transfer of research results into practice is facilitated by Schmidt’s involvement as one of the scientific directors at the IWW water research institute, a private, non-profit making company affiliated with the University of Duisburg-Essen.

Process-oriented environmental chemistryEnvironmental forensicsCompound-specific isotope analysis:

Method development and applicationsSolventless methods for extraction and

separation in chromatography

CURRiCUlUM ViTAE

DOB: 19681994-1994 Degree Course in Chemistry, Universities of Marburg, Germany, and Edinburgh, UK. 1997 PhD (Analytical Chemistry), University of Marburg (G. Stork)1998-2002 Postdoctoral Researcher/Research Scientist, EAWAG (Duebendorf)/ETH Zurich, Switzerland (S. Haderlein and R. Schwarzenbach)2002-2006 Group leader Environmental and Analytical Chemistry, University of Tuebingen2006 Habilitation (Hydrogeochemistry and Environmental Analysis), University of Tuebingensince 2006 Professor, University of Duisburg-Essen and Scientific Director at the IWW Water Research Institute

SElECTED PUBliCATionS

n M.A. Jochmann, M.P. Kmiecik, T.C. Schmidt: “Solid-phase Dynamic Extraction – A New Enrichment Technique for Polar Volatile Organic Compounds in Water”, J. Chromatogr. 2006, 1115, 208-216.

n S. Endo, T.C. Schmidt: “Prediction of Partitioning between Complex Organic Mixtures and Water: Application of Polyparameter Linear Free Energy Relationships”, Environ. Sci. Technol. 2006, 40, 536-545.

n L. Zwank, M. Berg, M. Elsner, T.C. Schmidt, R.P. Schwarzenbach, S.B. Haderlein: “A New Evaluation Scheme for Two-Dimensional Isotope Analysis to Decipher Biodegradation Processes: Application to Groundwater Contamination by MTBE”, Environ. Sci. Technol. 2005, 39, 1018-1029.

n T. Zimmermann, W. Ensinger, T.C. Schmidt: “In Situ Derivatization/Solid-Phase Microextraction: Determination of Polar Aromatic Amines”, Anal. Chem. 2004, 76, 1028-1038.

n L. Zwank, M. Berg, T.C. Schmidt, S.B. Haderlein: “Compound-specific Carbon Isotope Analysis of Volatile Organic Compounds in the Low µg/L-Range”, Anal. Chem. 2003, 75, 5575-5583.

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Analysis of urine

samples for

aromatic amines

with GCxGC.

Page 23: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

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Prof. Dr. Axel SchönbucherTe c h n i ca l Ch e m i s t r y

www.uni-due.de/tech1chem

Research Interests: The study group surrounding Axel Schönbucher deals with reactive and non-reactive flows and the risk assessment in the process industries. This does not only include the unit operations in the chemical industry; event sequences caused by accidents also play an important role.

In the process industries, accidental releases occur, however relatively seldom, in which spilling toxic and/or flammable substances can cause explosions or fire to break out.In order to deal with these risks appropriately, it is important that the probability of occurrence and the potential results (consequences) of such dangerous phenomena are calculated in as much detail as possible or assessed using models. A probabilistic risk assessment comprises the following four steps: Selection of potential sequences of events; determination of their characteristics (initial and boundary con-

ditions), calculation of exposition processes and assessment of the (individual) risks, for example using iso-risk lines. In order to arrive at well-founded statements, which con-tribute not least to the creation of new tech-nological processes and the evaluation of exist-

ing ones, the study group carries out experimental research of reactive and non-reac-tive flows. In doing so, the entire range of magnitude of potential damage events is considered: Both small and large-scale pool fires and tank fires are studied using com-plicated experimental and CFD methods. The underlying kinetics of all relevant reac-tions of the fire as well as the ensuing flow processes are considered and, in addition, detailed CFD simulations with a high mathematical processing complexity are carried out; as a rule, the agreement between simulated and observed sequences of events is remarkable as well. The most complete mixture of reactive substances as possible is also the basis for important processing steps in the chemical industry. One of the unit operations most underestimated with regard to its complexity is, e.g. the mixing of liquids of different densities and viscosities in stirred vessels and chemical reactors. These processes are also considered by the study group with the aid of CFD simulations and experimental research. The objective is to work out the influence of these mixing processes on the quality and yield of the products, which has often not been taken into account as yet. One application is, for example, the polymerisa-tion of monomers in a solution or dispersion. These reactions – the synthesis of methacrylic acid methylesters acts as a model, for example – are carried out by the study group in an active reaction calorimeter with a semi-batch reactor. An additional focus of the study group is the fluid-dynamic study of non-reactive flows (e.g. of helium gas).

Reactive flows (flames) and non-reactive flowsSafety technology and risk assessment in the

process industriesMixing of liquids in the batch (BR) and

semi-batch reactor (SBR)Chemical reaction engineering

CURRiCUlUM ViTAE

DOB: 19451965-1970 Degree Course in Chemistry, University of Stuttgart1973 PhD (Physical Chemistry), University of Stuttgart (Th. Förster)1980 Habilitation in Technical Chemistry, University of Stuttgart (W. Brötz)1982 Professor, University of Stuttgart1983 DECHEMA Prize of the Max Buchner Research Foundation, Frankfurt1988-1989 University of Dortmund1989-1990 Hüls AG, Marl1990-1992 Battelle Europe, Frankfurt1992-2002 Professor, University of DuisburgSince 2002 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n C. Kuhr, S. Staus, A. Schönbucher: “Modelling of the thermal radia-tion of pool fires”, Progress in Computational Fluid Dynamics 2003, 3 (2-4), 151-156.

n I. Vela, C. Kuhr, A. Schönbucher: “CFD-Modelling of Large-Scale Kerosene Pool Fires”; Proceeding of the “11th International Symposium on Loss Prevention and Safety Promotion in the Process Industries”, 2004, 3143 – 3147.

n K.-D. Paul, A. Schönbucher: “Deterministische und probabilis-tische Vorgehensweisen zur sicherheitstechnischen Beurteilung von Industrieanlagen”, in: Praxis der Sicherheitstechnik, Vol. 7, “Quantitative Risikoanalyse – Quo vadis?”, DECHEMA, Frankfurt 2006, 175-206.

n I. Vela, M. Gawlowski, C. Kuhr, A. Schönbucher: “CFD Simulation of large hydrocarbon pool fires”, in: “Abstracts of Work-In-Progress Posters”, 31st Symposium (International) on Combustion 2006, 177, The Combustion Institute, Pittsburgh.

n M. Gawlowski, H. Michel, A. Schönbucher: “Large-Eddy-Simulation eines turbulenten n-Heptan-Poolfeuers”, Chem.Ing.Tech. 2006, 78 (9), 1259-1260.

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The dynamic mixing of two liquids

of different densities and viscosi-

ties in an experiment (above) and

in the CFD simulation (below).

CFD-simulated instationary temperature fields

of a methane pool flame (d = 1 m)

Page 24: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

www.uni-due.de/chemie/ak_schrader

Prof. Dr. Thomas SchraderO rg a n i c Ch e m i s t r y

Research Interests: Our group develops small, tailor-made artificial binding sites for biomol-ecules and studies the interplay of non-covalent interactions in their host-guest complexes. Insights gained from this are channelled into the design of functional receptors, which can interfere with central biological recognition processes. If these are pathological, new poten-tial therapy strategies may evolve targeting life-threatening illnesses such as Alzheimer’s, CJD, AIDS, tumors, heart diseases, osteoporosis, thromboses and AMD.

One example for this approach are aggregation inhibitors for β−sheets. Aminopyrazoles, which are linked with natural amino acids into hybrid compounds, cannot only prevent the de novo aggregation of the Alzheimer’s peptide, but also dissolve existing assemblies (cooperation with D. Riesner & D. Willbold, Düsseldorf). In addition, the onset phase of the Alzheimer’s aggregation, is elucidated by means of lysine-specific molecular tweezers. These are concavely-formed, aromatic clip molecules with phosphonate groups, which

draw electron-poor cofactor molecules into their cavities and thus block essential enzyme pathways (cooperation with F. Klärner & H. de Groot, Essen).Employing combinatorial optimisation and the “molecular imprinting” tech-nique, our group also aims at synthe-sizing artificial antibodies. To this end we created a set of monomer building blocks, based on methacrylamide, which carry binding sites for all essential amino acid residues; these are copolymerised under well-defined conditions. Protein receptors with exquisite affinity and specificity are obtained which can act as tailor-made polymers to switch on and off protein functions in a reversible manner. In addition, they can be used for the ordered assembly of proteins on surfaces and for protein purification with Arg tags. Molecular recognition is also the focus of two other research projects with cal-ixarene dimers and boron acid bisphos-phonates. Certain calixarene dimers

Asymmetric synthesis (organocatalysis)Supramolecular chemistry (molecular

recognition)Bio-organic chemistry (selective artificial

receptors)

CURRiCUlUM ViTAE

DOB 19581985 Diploma (Chemistry), University of Bonn1988 Ph.D. (Chemistry), University of Bonn1989 Postdoctoral Researcher, Princeton University (AvH-Fellowship)1991 Assistant Professor, University of Düsseldorf1998 Habilitation (Organic Chemistry), University of Düsseldorf2000 Associate Professor (Organic Chemistry) University of Marburg2001 Award in Bioorganic Chemistry (Bredereck-Symposium)Since 2006 Full Professor (Organic Chemistry) University of Duisburg-Essen

SElECTED PUBliCATionS

n C. Renner, J. Piehler, T. Schrader: “Arginine- and Lysine-Specific Polymers for Protein Recognition and Immobilization”, J. Am. Chem. Soc. 2006, 128, 620-628.

n R. Zadmard, T. Schrader: “DNA Recognition by Large Calixarene Dimers”, Angew. Chem. Int. Ed. 2006, 45, 2703-2706.

n M. Maue, T. Schrader: “A Color Sensor for Catecholamines”, Angew. Chem. Int. Ed. 2005, 44, 2265-2270.

n P. Rzepecki, L. Nagel-Steger, S. Feuerstein, U. Linne, O. Molt, R. Zadmard, K. Aschermann, M. Wehner, T. Schrader, D. Riesner: “Prevention of Alzheimer’s associated Aß aggregation by rationally designed nonpeptidic ß-sheet ligands”, J. Biol. Chem. 2004, 279, 47479-47505.

n T. Pfretzschner, L. Kleemann, B. Janza, K. Harms, T. Schrader: “On the Role of Phosphoramidite Ligands in the Conjugate Addition of Diorganozincs to Enones”, Chem. Eur. J. 2004, 10, 6048-6057.

n

n

n Aminopyrazole

amino acid

hybrids prevent

the de novo

aggregation of

the Alzheimer’s

peptide.

Copolymers with bind-

ing sites for amino

acid residues can act

as high-affinity protein

receptors.

strongly bind to DNA and especially to RNA and, in doing so, cling tightly to the wall of the major groove. By varying the bridging parts between both calixarenes, our group is striving for sequence-selective nucleic acid recogni-tion with the aim of directing gene expression. Boron acid bisphosphonates, on the other hand, allow quantitative detection of catecho-lamines such as adrenaline in body fluids, with high selectivity. Detection limits are drastically reduced by embedding them in chromatic vesicles. From this concept, synthetic trans-membrane units are derived, which perform, for the first time, a completely artificial signal transduction via a membrane.

Calixarene dimers cling to the wall

of DNA’s major groove.

Page 25: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

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Prof. Dr. Heinz Wilhelm SieslerP hy s i ca l Ch e m i s t r y

www.nir-spektroskopie.de/indexe.htm

Research Interests: The focus of this research group is directed towards the application of vibrational spectroscopic techniques (mid-infrared, near-infrared and Raman spec-troscopy) for quality control and process monitoring in combination with chemometric evaluation algorithms.

Possible applications for these techniques range from raw material control to the monitoring of complex polymerisation reactions. Basically it has been shown that a broad variety of materials, ranging from contaminated soil to pharmaceutical active ingredients and polymers, can be investigated and characterised in detail. Coupling the spectrometer with light fibres and specific probes makes it possible to separate the instruments over large distances (> 100m) from the position of measurement, thereby facilitating the implementation as a routine industrial tool. Another area of interest is the characterisation of deformation and relaxation phenom-ena in polymers by using rheo-optical Fourier-Transform mid-infrared and near-infrared (FTIR and FTNIR) spectroscopy. The experimental principle behind these techniques is based on the simultaneous acquisition of polarisation spectra and stress–strain

Vibrational spectroscopy (NIR, MIR, Raman) for quality, reaction and process control

Rheo-optical FTIR/FTNIR spectroscopyFTIR/NIR spectroscopic imagingPhysical-chemical characterization of biopolymers

CURRiCUlUM ViTAE

DOB 19431961-1967 Degree Course in Chemistry, University of Vienna1970 PhD in Chemistry, University of Vienna, Austria 1971/1972 Postdoctoral Researcher, University of Cologne, Germany1972 -1974 Postdoctoral Researcher/Lecturer, University of the Witwatersrand, Johannesburg, South Africa 1974 -1987 Group Leader in the Corporate R & D, Bayer AG, Dormagen, GermanySince 1987 Professor in Physical Chemistry, Department of Chemistry, University of Duisburg-Essen 1988 Habilitation (Physical Chemistry)1992 Visiting Professor at the Ecole Superieure de Physique et de Chimie Industrielle de la Ville de Paris (ESPCI), France1994 Eastern Analytical Symposium Award in NIR Spectroscopy, USA2000 Visiting Professor at the Kwansei Gakuin University, Nishinomiya, Japan Tomas Hirschfeld Award in NIR Spectroscopy, USA2003 Büchi Award in NIR Spectroscopy (shared with S. Tsuchikawa, University of Nagoya, Japan), Germany

SElECTED PUBliCATionS

n H. W. Siesler, I. Zebger, Ch. Kulinna, S. Okretic, S. Shilov and U. Hoffmann: “Segmental mobility of liquid crystals and liquid-crystal-line polymers under external fields: Characterization by Fourier-Transform infrared polarization spectroscopy”, In: G. Zerbi (Hrsg.): Modern Polymer Spectroscopy, VCH, Weinheim 1999, 33-85.

n F. Bandermann, I. Tausendfreund, S. Sasic, Y. Ozaki, M. Kleimann, J. Westerhuis, H.W. Siesler: “Fourier-transform Raman spectroscopic on-line monitoring of the anionic dispersion blockcopolymerisation of styrene and 1,3-butadiene”, Macromol. Rapid Commun. 2001, 22, 690-693.

n F. Yeh, B.S. Hsiao, B.B. Sauer, S. Michel, H.W. Siesler: “In-situ studies of structure development during deformation of a segmented poly-urethaneurea elastomer”, Macromolecules 2003, 36, 1940-1954.

n H.W. Siesler, Y. Ozaki, S. Kawata, H.M. Heise (Hrsg.): “Near-Infrared Spectroscopy”, Wiley-VCH, Weinheim 2002.

n

n

n

n

The principle of rheo-optical

FTIR/FTNIR spectroscopy with

polarised radiation.

In close co-operation with other institutions, the research group is involved in the recently-developed techniques of FTIR and NIR imaging. Here, focal plane arrays con-sisting of 64x64 (FTIR) or 320x256 detectors (NIR) provide up to 81,920 spectra, ena-bling a spatial characterisation of an investigated sample area with a lateral resolution down to ~ 5µm. Possible applications range from characterising phase separations in polymer blends via the distribution of pharmaceutical active ingredients in a tablet, to the detection of malignant tissues.Last, but not least, the group is co-operating with a Japanese research group on the characterisation of biodegradable polymers such as poly(hydroxyalkanoate) (PHA). These polymers are already used as packaging material for fruit and vegetables and as mulching film in the agricultural industry. Due to their safe degradation in the human body they are also used for implants and operation materials in medical applications. The contribution of the Siesler group focuses on the investigation of the thermal and mechanical properties of this new class of polymers and their blends with commercial polymers, as well as on their thermal degradation behaviour studied by combined FTIR/DSC/TGA measurements – in close co-operation with Matthias Epple’s group at the University of Duisburg-Essen

diagrams during defor-mation and recovery or stress relaxation of the polymer film sample. From these investigations, detailed information can be derived regarding the orientation, crystallisa-tion and phase transition of the polymer as a func-tion of the mechanical treatment.

Page 26: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Learner

Media

Study

Trials

Theoretical BackgroundResearch Questions

Treatment

Context

Methods

Teacher

Theory Practical Experience

SocialInteractions

Instruction

www.uni-duisburg-essen.de/chemiedidaktik/

Prof. Dr. Karin StachelscheidCh e m i s t r y Ed u ca t i o n

Research Interests:

Efficient environmental education in school can only be realised if the students’ current environmental awareness is known. In order to obtain sustainable results, the concept of environmental awareness is subdivided into three categories: environmental knowledge, environmental attitude and environmental behaviour. Both data on the students’ cognitive abilities as well as their attitudes are collected as a control variable. These attributes are cru-cial as environmentally conscious behaviour is shaped by knowledge as well as attitude.Research methods have been developed and evaluated for all three categories. The devel-oped test instruments focus on visual presentations: particularly films and image tests have been developed by the research group associated with Karin Stachelscheid which comple-ment other established test instruments. Based on these findings, interdisciplinary teaching models have been developed and evaluated in pilot studies. Apart from chemical content biological topics are taken into consideration.Another focal research interest of the group is health education. The general health consciousness of young people was investigated specifically focussing on the effects of excessive sun exposure. A comparative study with Australian and German students was conducted on this topic. It was carried out in co-operation with David Treagust (University of Perth, Australia).The construction of multimedia learning programmes constitutes a consistent advance-ment of the teaching concepts in environmental education. New teaching possibilities are offered by combining different media in one learning environment where the different mul-timedia presenatations are simultaneously available to the student. Before suitable multi-media teaching software is developed, however, the influence of the individual multimedia presentations on the individual learning process has to be investigated. The required tests are based both on results from cognitive psychology as well as the group’s own studies on the learning efficacy of audio-visual media. Multimedia learning environments have already been developed for some topics (e.g. Particle Movement, Ozone in the Stratosphere, Sun and Solar Protection) and evaluated in case studies.

Environmental and health educationMultimedia learning in chemistryDesign research

CURRiCUlUM ViTAE

DOB: 19601979-1986 Degree Course in Chemistry/Biology (Teacher Training), University of Essen1985/1986 First State Examination for Teaching for Secondary School Level II / I, Chemistry / Biology1990 PhD (Chemical Education), University of Essen (E. Sumfleth)1991 Second State Examination (Teaching for Secondary School Level I/II)1992-1997 Research Assistant/Academic Councillor, University of Essen1997 Johann Friedrich Gmelin Prize of the Chemical Education Working Group of the German Chemical Society (GDCh)1998 Habilitation (Chemical Education), University of Essen1998 Senior Academic Councillor, University of Essen2001 First Literature Prize of the Association of Austrian Chemistry Teachers Since 2004 Apl. Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n K. Stachelscheid, T. Kummer: “Zum Verstehen naturwissenschaftli-cher Phänomene – Ein Unterrichtskonzept zur Ozonproblematik in der Stratosphäre”, in: Institut für Didaktik der Chemie, Univ. Essen (Hrsg.): Der naturwissenschaftliche Unterricht an der Schwelle zum 3. Jahrtausend. Commemorative Publication Prof. Dr. Helmut Lindemann. Staccato Verlag, Düsseldorf 2000, 26-46.

n K. Stachelscheid, E. Klenzendorf, F. Sprünken: “Lernen mit Multimedia – Eine Untersuchung zum Thema ‘Ozon der Troposphäre’”, Chemie & Schule, 2001, 3, 5-9.

n K. Stachelscheid, B. Luse: “Sonnenschutz – Gesundheitsbewusstsein in Australien und Deutschland”, Chemie & Schule, 2004, 5-10.

n K. Stachelscheid, A. Dziewas: “Einstellung und Verhalten von Kindern und Jugendlichen im Umweltbereich”, Mathematisch-natur-wissenschaftlicher Unterricht 2004, 57 (5), 296-303.

n K. Stachelscheid, M. Kohnen: “Fit for Sunshine? – Studien zum Sonnenschutzbewusstsein von Kindern”, Naturwissenschaften im Unterricht – Chemie 2006, accepted for publication.

n

n

n

School teaching is a highly complex system depending on several variables which influence the students’ learning process. In order to capture this system and to maintain its complexity, the method of design research provides a good basis. As many variables as pos-sible are observed and described in real world classroom settings.The data from both qualitative and quantitative observations and measurement instru-ments can be combined to gain new insights. The research process is cir-cular: interaction takes place between the individual research phases as well as between theory and practice. The result is a gradual adaptation of the research process to the object of the study – an important prerequisite for the description of the complexity. Design research provides a good basis in order to achieve a high degree of practicability for lessons, e.g. if mul-timedia learning environments are designed.

Process sequence of design research.

Page 27: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

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Prof. Dr. Elke SumflethCh e m i s t r y Ed u ca t i o n

www.uni-duisburg-essen.de/chemiedidaktik/

Research Interests: Professor Elke Sumfleth and her research group are concerned with the enhancement of successful learning in the field of chemistry education

An important research focus of the group is the investigation of collaborative small group work in an experimental setting. Learning aids which structure the learning proc-ess and elaborated feedback are evaluated in this context. In earlier research, the prob-lem of operational errors which occur because of the non-invasive nature of teacher intervention in the experimental setting was focussed on. Currently, however, errors in the process of scientific inquiry are increasingly taken into consideration. The learning outcome of collaborative working is measured by achievement tests on the background of the students’ cognitive abilities as well as their social background. The analysis of the processes taking place during experimental work is carried out using category-driven video analysis.Another research focus of the group is to clarify the extent to which a lack of the cumulative acquisition of knowl-edge can be ascribed to missing vertical linkage in chemistry classes. As it is still widely unknown how vertical linkage is currently implemented in chemistry classes, the research group aims at mak-ing successful linkage visible with the aid of concept maps. Hence, concept maps resulting from a subject-structure analysis of the topic are compared with those reconstructing the course of the actual lesson as well as concept maps generated by the individual student. The results of these visualisations are correlated in order to shed light on cumulative learning in general.In the case of hypermedial learning environments – both linear and non-linear (hyper-text) – the degree of linkage also has an influence on the learning success. The students’ previous knowledge plays a decisive role in this. It was shown that students with low previous knowledge achieve significantly higher learning gains in a non-linear learning environment as in a linear one.In addition to this, the group examines the effect of visualisations in connection with natural science texts. The question here is whether visualisations should only be presented to the learners or even generated by the learners themselves. On the basis of teaching and learning experiments, it is investigated to which extent the learning effectiveness of such visualisations can be explained by a more integrated model of language and visual information processing as well as storage. Thus it is examined under which conditions visualisations are particularly effective.Further fields of study include both the development and the evaluation of teacher training material for teaching natural sciences as well as the subject-specific analysis of the homework practices in the teaching of chemistry. An intervention study is planned

Empirical research in teaching and learning of chemistry

Development and evaluation of learning material in chemistry education

CURRiCUlUM ViTAE

DOB: 19521971-1976 Degree Course in Chemistry, University of Hamburg1979 PhD (Chemistry), University of Hamburg1987 Habilitation, University of Essen1990 Professor, University of EssenSince 2004 Professor, University of Duisburg-Essen

SElECTED PUBliCATionS

n H.E. Fischer, K. Klemm, D. Leutner, E. Sumfleth, R. Tiemann, J. Wirth: “Research on Science Teaching and Learning: Deficits and Desiderata”, Journal of Science Teacher Education 2005, 16, 309-349.

n E. Sumfleth, A. Hollstein: “Lernen mit selbstkonstruierten Simulationen im Themenbereich Kugelteilchenmodell”, Der mathe-matische und naturwissenschaftliche Unterricht 2005, 58 (6), 350-357.

n E. Sumfleth: “Investigation Designs and Methods in Descriptive and Prescriptive Research in Science Education - Laboratory and Field Studies”, in: E.K. Henriksen, M. Ødegaard (Hrsg.): Naturfagenes didaktikk - en disiplin I forandring?, Norwegian Academic Press, Kristiansand 2004, 247-271.

n E. Sumfleth, S. Rumann und N. Nicolai: “Schulische und häusliche Kooperation im Chemieanfangsunterricht”, in: J. Doll und M. Prenzel (Hrsg.): Bildungsqualität von Schule: Lehrerprofessionalisierung, Unterrichtsentwicklung und Schülerförderung als Strategien der Qualitätsverbesserung, Waxmann, Münster, New York, München, Berlin 2004, 284-302.

n I. Melle, I. Parchmann und E. Sumfleth: “Kerncurriculum Chemie – Ziele, Rahmenbedingungen und Ansatzpunkte”, in: H.-E. Tenorth (Hrsg.): Kerncurriculum Oberstufe II – Biologie, Chemie, Physik, Geschichte, Politik, Beltz, Weinheim und Basel 2004, 85-147.

n

n

which attempts to improve learning results in this field.However, learning environments have not always been the only research interests of the group; concepts for learning based on already worked-out examples have been developed for the chemistry foundation course. These worked-out examples lead the learner to solutions via expert-generated steps. Especially novices with a low degree of previous knowledge profit from this method. The deciding factor, however, is how actively the student examines the worked-out example. Learning success, transfer performance and acceptance have been investigated using a computer-based learn-ing module specifically designed for this purpose.

Interaction box with working materials

for the acid-base subject area.

Page 28: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

www.orgchem.uni-essen.de/AK_Sustmann.html

Prof. Dr. Dr. h.c. Reiner SustmannO rg a n i c Ch e m i s t r y

Research Interests: The focal points of the current research carried out by this study group cross the boundaries between organic and biological chemistry and medicine, and alterna-tively deal with mechanistic questions in pericyclic reactions.

In co-operation with the Institute of Physiological Chemistry at the University Clinic, the study group is studying cell damage caused by reactive oxygen species, which arise from the iron-dependent degradation of hydrogen peroxide (Fenton reaction). The objective is the development of cell organelle-specific fluorescence probes for the quantitative determination of the chelatable iron pool, which is responsible for the formation of cell-damaging OH radicals. One example of the successful endeavours is the mitochondria-specific fluorescence dye RDA. Here, the complexing of iron leads to the extinguishing of the fluorescence, which can however be restored with a large excess of a non-fluorescent chelator. For example, the concentration of chelatable Fe in mitochondria can be quantita-tively determined from the difference in intensity of the fluorescence. Currently, probes are being developed which are especially suitable for determining the chelatable iron pool in cytosol and in lysosomes.

The detection of other sub-stances in living cells is also a surprisingly large challenge. Nitrogen monoxide, for example, performs important functions in the organisms of mammals but the detection of its formation is difficult. Fluorescence measure-ments can help in this case as well: Hence the o-quinoid sys-tem of a fluorescent nitric oxide cheletropic trap (FNOCT) inter-cepts NO molecules in a reac-

tion discovered by the study group. Following the reduction of the nitroxide radical to hydroxylamine, the fluorescence of the methoxy-substituted phenanthrene formed can be established. With this, the spatial and temporal resolution of the NO formation in living cells can be observed. In addition, the study group occupies itself with the development of enzyme mimetica, in particular those of peroxidases and catalases. In this way, a catalase mimeticum based on a non-heme Fe3+ complex was successfully developed. This is the first compound of this type which, under physiological conditions, i.e. in micromolar concentrations of mimeticum and hydrogen peroxide and at pH 7 in an aqueous solution, decomposes hydrogen peroxide to oxygen and water. Both the compound itself and the iron-free ligand afforded protection against iron damage in the cell experiment.A completely different challenge confronting the study group is the study of the mecha-nisms of pericyclic reactions. With the aid of ab initio calculations, attempts are made to comprehend the influ-ence of substituents on the course of the reaction in the case of 1.3-dipolar cycload-ditions of thiocarbonyl S-

ylides.

Sensors for reactive oxygen species in biological systems

Cheletropic traps for nitric oxideDevelopment and applications of

non-heme catalase MimicsComputational studies of mechanisms of

cycloaddition reactions

CURRiCUlUM ViTAE

DOB: 19391958-1964 Degree Course in Chemistry, Universities of Bonn and Munich1965 PhD (Organic Chemistry), University of Munich (R. Huisgen)1967-1968 Research Associate, University of Texas (M.J.S. Dewar)1968-1969 Research Associate, Princeton University (P.v.R. Schleyer)1971 Habilitation in Organic Chemistry, University of Münster1975 Apl. Professor, University of Münster1977 Winnacker Scholarship1978-1979 Visiting Professor, University of Utah, Salt Lake City, USASince 1978 Full Professor, University of Duisburg-Essen1986 Fellowship of the Japan Society for the Promotion of Science1988 Visiting Professor, Université Catholique de Louvain, Belgium1990 Visiting Professor, Université d’Aix-Marseille1991 Member of the Academia Scientiarum et Artium Europaea1996 Dr. h.c., Université d’Aix-Marseille

SElECTED PUBliCATionS

n J. Paschke, M. Kirsch, H.-G. Korth, H. de Groot, R. Sustmann: “Catalase-Like Activity of a Non-Heme Dibenzotetraaza[14]annulene-Fe(III)Complex under Physiological Conditions”, J. Am Chem. Soc. 2001, 123, 11099-11100.

n R. Sustmann, H. de Groot, U. Rauen, F. Petrat, D. Weisheit: “Selektive Bestimmung redox-aktiven Eisens in Mitochondrien vitaler Zellen”, BIOforum 2003, 6, 372-373.

n U. Rauen, T. Li, Sustmann, H. de Groot: “Protection against Iron- and Hydrogen Peroxide-dependent Cell Injuries by a Novel Synthetic Catalase Mimic and its Precursor, the Iron Free Ligand”, Free Rad. Biol. Med. 2004, 37, 1369-1383.

n R. Sustmann, W. Sicking, R. Huisgen: “Cycloaddition and Methylene Transfer in Reactions of Substituted Thiocarbonyl S-Methylides with Thiobenzophenone: A Computational Study”, Eur. J. Org. Chem. 2005, 1505-1518.

n H. de Groot, O. Auferkamp, T. Bramey, K. de Groot, M. Kirsch, H.-G. Korth, F. Petrat, R. Sustmann: “Non-Oxygen-Forming Pathways of Hydrogen Peroxide Degradation by Bovine Liver Catalase at Low Hydrogen Peroxide Fluxes”, Free Radical Research 2006, 40, 67-74.

n

n

n

n

This non-heme Fe�+complex is the first compound

of this type to decompose H2O2 under physiological

conditions to O2 and water.

In the fluorescent dye RDA,

the fluorophore rhodamine is

linked to a chelator.

Page 29: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

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Prof. Dr. Mathias UlbrichtTe c h n i ca l Ch e m i s t r y

www.uni-due.de/tech2chem

Research Interests: Separation using membrane adsorbers (membrane chromatography, solid phase extraction) is a rapidly growing field of application for functional macroporous membranes. The key advantages compared to conventional porous adsorbers result from the pore structure of the membrane, which allows a directional (convective) flow through the majority of the pores. Thus, the characteristic times for pore diffusion are drastically reduced.

The separation of substances using this technology is based on their reversible bind-ing on the functionalised pore walls. Therefore, the internal surface area of the mem-brane and its accessibility are most important for the (dynamic) binding capacity. Consequently, the development of high-performance membrane adsorbers proceeds via an independent optimisation of pore structure and surface layer functionality. Several approaches for surface functionalisations – including molec-ular imprinting yielding substance-specific membrane adsorbers – are investigated by Mathias Ulbricht’s study group. One example, which has also relevance for cell and tissue compatibil-ity, is the utilisation of self-assembled grafted polyethylene glycols (PEGs) for the size-selective protein adsorption to hydrophobic poly-mer surfaces, where the group focused on an incomplete coverage of the base material. PEGs with a small hydrophobic and photoreactive head group serving as an “anchor” for the attachment (ABMPEGs) form ordered surface structures, leaving significant fractions of the hydrophobic polystyrene uncovered. These arrays of “end-on” grafted PEGs effectively control the adsorption of proteins based on size (“two-dimensional molecular sieving”). Another example is the development of functionalised capillary pore membranes as versatile tools for the investigation of stimuli-responsive polymers that could be utilised to create novel (“smart”) valves in microfluidic channels. Interesting candidates are tempera-ture-responsive polymer systems based on N-isopropyl acrylamide (NIPAAm) “grafted” in the pores of poly(ethylene terephthalate) (PET) track-etched membranes. Variations of surface initiation and polym-erisation conditions, such as UV-irradiation or reaction time as well as monomer concentration, could be used to vary the polymer mass per pore volume as well as the grafted polymer density and flexibility. The resulting PET films with PNIPAAm-functionalised pores could effectively block water flow at temperatures < 32°C while the pores “open up” above this temperature. Analogous results are obtained in diffusion experiments: Macromolecules are either rejected or hin-dered by the extended grafted polymer “screen” at low temperature while almost unhindered diffusion is possible at high temperature.

Surface functionalisation of materialsMolecularly-imprinted and stimuli-

responsive polymersSynthetic membranes and membrane

technologies

CURRiCUlUM ViTAE

DOB: 19581979-1984 Degree Course in Chemistry, Humboldt University, Berlin1987 PhD (Organic Photochemistry), Humboldt University, Berlin (G. Tomaschewski)1992-1993 Visiting Scientist, Rensselaer Polytechnic Institute, Troy, New York, USA (G. Belfort)1997 Habilitation (Organic Chemistry), Humboldt University, Berlin 1997-1999 GKSS Research Centre, Teltow 1999-2003 Founder and CEO of ELIPSA Inc., BerlinSince 2001 Full Professor at the University Duisburg-Essen

SElECTED PUBliCATionS

n S.A. Piletsky, H. Matuschewski, U. Schedler, A. Wilpert, E.V. Piletskaya, T.A. Thiele, M. Ulbricht: “Surface functionalization of porous polypropylene membranes with molecularly imprinted polymers by photografting polymerization in water”, Macromolecules 2000, 33, 3092-3098.

n M. Ulbricht, R. Malaisamy: “Insights into the mechanism of molecu-lar imprinting by immersion precipitation phase inversion of polymer blends via a detailed morphology analysis of porous membranes”, J. Mater. Chem. 2005, 15, 1487-1497.

n M. Ulbricht, H. Yang: “Porous polypropylene membranes with different carboxyl polymer brush layers for reversible protein binding via surface initiated graft-copolymerization”, Chem. Mater. 2005, 17, 2622-2631.

n D. Lazos, S. Franzka, M. Ulbricht: “Size-selective protein adsorption to polystyrene surfaces by self-assembled grafted polyethylene gly-cols with varied chain lengths”, Langmuir 2005, 21, 8774-8784.

n M. Ulbricht: “Feature - Advanced functional polymer membranes”, Polymer 2006, 47, 2217-2262.

n

n

n

T < 32° C

T > 32° C

SEM micrograph of a track-etched membrane from PET, here with nominal pore diam-

eter of 200 µm (left) and schematic depiction of the switching of membrane pore diam-

eter through grafted temperature-responsive (“smart”) polymer brushes (right).

The effect of PEG size

on hydrophobic poly-

mer surfaces modified

with self-assembled

ABMPEGs: Proteins are

sterically excluded from

a surface made from

PEGs with lower molec-

ular weight (MW), but

they can bind – and are

stabilised – on a surface

made from PEGs with

higher MW.

Page 30: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

www.relaxation.chemie.uni-duisburg-essen.de/Veeman/veeman.html

Prof. Dr. Wiebren S. VeemanP hy s i ca l Ch e m i s t r y

Research Interests: Besides a continuing interest in the development of nuclear magnetic resonance techniques in general (e.g. application of NMR to the development of quantum computers), in recent years the research of this study group focused especially on shedding light on the interactions between guest molecules or atoms and their hosts, in particular solid, non-metallic materials. These interactions have a profound impact on diffusion processes within these materials.

To clarify which interactions govern these processes in detail, the group tracks the diffu-sion behaviour of xenon atoms, water or drug molecules in organic polymer matrices and nano-composite materials using NMR techniques. Examples for practical outcomes of this research work are e.g. a more refined understanding of the – usually unwanted – diffusion of fuel through non-metallic car tanks or of the migration of oxygen through plastic food wrappings. An example of a small but defined cavity or host are long narrow carbon nanotubes with an average diameter of 1 nm. The proton NMR spectrum of water absorbed in this mate-rial shows that two or even three different water resonances can be detected, depending upon the amount of water. From NMR investigations of the freezing behaviour of this water, the group was able to determine that the signal at about 1.3 ppm is due to water inside the nanotubes and the resonance at close to 4.8 ppm is due to water molecules being adsorbed at the outer sur-faces of the tubes. The amazing conclusion is that the water is first absorbed by the inner regions of the narrow tubes; adsorption at the outer surfaces takes place only after the inner regions of the tubes are filled by water molecules.However, guest molecules in hosts can also be quite large, for instance drug molecules. Veeman’s group investigates drug-matrix interactions for compounds eluted from the coating of cardio-vascular stents. It is believed that in the future, 50% of all people will need stents to solve arterial problems. This means that there will be a large demand for materials that can slowly release a drug, but stay adhered to the stent frame when the stent is mechanically expanded in the artery. A good coating therefore should have elastomeric properties. So the group studies the mobility of drug molecules in certain elastomeric matrices: These interactions determine how fast the drug is released. In another project, the structure of the nanocom-posite material itself is the subject of the group’s research. The primary focus is on organic-inorganic hybrid materials containing nanosized metal oxide particles. The properties of these materials strongly depend on the interaction between the organic matrix and the surface of the inorganic particles. Nuclear magnetic resonance is a suitable – and probably the only – technique able to provide information about the nature of the chemical bond-ing between the organic matrix and the inorganic

surface of the nanoparticles in the bulk material.

NMR spectroscopy of materialsXe-NMR spectroscopy of porous materialsDrug release from cross-linked polymers

(DSM)Interaction between metal oxide

nanoparticles and organic polymers

CURRiCUlUM ViTAE

DOB: 19421960-1967 Degree Course in Technical Physics, Technical University of Delft1972 PhD, University of Leiden (J. H. van der Waals)1973-1974 Postdoctoral Researcher, IBM Research Laboratory, San Jose, California1974-1986 Lecturer in Physical Chemistry, University of Nijmegen 1986-1991 Professor, University of NijmegenSince 1991 Professor, University of Duisburg-Essen2001 Visiting Professor, Department of Nuclear Engineering, Massachusetts Institute of Technology, Boston, USA

SElECTED PUBliCATionS

n W.S. Veeman: “129Xe NMR of elastomers in blends and composites”, in: V.M. Litvinov and P.P. De (Hrsg.): Spectroscopy of rubbers and rubbery materials, Rapra Technolgy, Shawbury, UK 2002.

n M. Horstmann, M. Urbani, W.S. Veeman: “Self-diffusion of water in block copoly(ether-ester) polymers: an NMR study”, Macromolecules 2003, 36, 6797.

n H. Kampermann, W.S. Veeman: “Characterization of quantum algorithms by quantum process tomography using quadrupolar spins in solid-state nuclear magnetic resonance”, Journal of Chemical Physics 2005, 122, 214108.

n M. Kotecha, W.S. Veeman, B. Rohe, M. Tausch: “NMR investiga-tions of silane-coated nano-sized ZnO particles”, Microporous and Mesoporous Materials 2006, 95, 66.

n W. Sekhaneh, M. Kotecha, U. Dettlaff, W.S. Veeman: “High resolution NMR of water absorbed in single wall carbon nano tubes”, Chemical Physics Letters 2006, 428, 143.

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TEM picture of carbon nanotubes

with an average diameter of 1 nm.

The proton NMR spectrum of water

absorbed in carbon nanotubes.

Page 31: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

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Prof. Dr. Dr. h.c. Reinhard ZellnerP hy s i ca l Ch e m i s t r y

www.uni-due.de/iptc-zellner/

Research Interests: The study group associated with Reinhard Zellner focuses on the eluci-dation of microscale processes in atmospheric chemistry. These take place in the gas phase and at phase boundaries of liquid and solid aerosol particles thus altering the large-scale and superordinate properties of the atmosphere (hole in the ozone layer, climate change, air quality). Another emerging field of research in the study group is the interaction of nanoparticles with phase boundaries, membranes and proteins.

The Earth’s atmosphere is an enormous photochemical reactor in which trace sub-stances such as ozone, NOx, hydrocarbons and aerosols are formed, transformed and finally removed again under the influence of sun and wind. Chemical transformations in the atmosphere take place in the gas phase under partici-pation of photochemically-formed radicals (OH, HO2, NO3) as well as on aerosol surfaces (ice particles, mineral dust, soot) and in droplets (clouds and mist). The mechanisms and rates of these reactions are determined in laboratory experiments and tested in model simulations. A series of methods was developed for utilisation in these experiments and is applied in the study group. These techniques include UV laser long path absorption, TDLA (tuneable diode laser absorption), DRIFTS (diffuse reflecting infra-red Fourier transform spectroscopy), FTIR (Fourier transform infra-red spectroscopy), CWFT/MS (coated wall flow tube / mass spectrometry), optical levitation/ Mie scattering, Raman-spectroscopy and molecular beam scattering. In suitable combination, both chemical and photochemical elementary reactions, as well as microphysical processes, can be studied using these methods. Stopped flow measurements and PFM (photonic force microscopy) can be employed in a combination with SERS (surface enhanced Raman spectroscopy) and fluorescence techniques to discover the fundamental steps in the interaction of NPs (nanoparticles) with phase boundaries, membranes and proteins.

Examples of questions currently being investigated are:n Which are the specific contributions of individual hydrocarbons to the formation of ozone in the near-ground boundary layer and how large is their specific ozone formation potential?n How do simple carbonyl compounds like acetone dissociate? What role does the inter- nal excitation of the acetyl radical play for the quantum yield from the CO formation?n How do partially oxidised hydrocarbons behave towards ice surfaces? How does the lattice structure of the ice influence the adsorption and the diffusion into the ice layers?

Kinetics of fast elementary gas phase reactionsKinetics and dynamics of gas/surface interactionsGas exchange and phase transitions of optically

levitated micro-dropletsTheory of elementary gas phase reactions Atmospheric and aerosol chemistryInteractions of nanoparticles with phase

boundaries, membranes and proteins

CURRiCUlUM ViTAE

DOB: 19441965-1969 Degree Course in Chemistry and Physics, University of Göttingen1971 PhD, University of Göttingen1972-1973 Postdoctoral Researcher, University of Cambridge/UK1980 Habilitation, University of Göttingen1981 Visiting Associate Professor, University of Austin, Texas, USA1985-1987 Professor, University of Göttingen1987-1991 Professor, University of HannoverSince 1991 Professor, University of Duisburg-Essen1999 Offer of Appointment from the TU Clausthal-Zellerfeld, rejected

SElECTED PUBliCATionS

n P. Behr, A. Terziyski, R. Zellner: “Acetone adsorption on ice surfaces in the temperature range T=190–220 K. Evidence for ageing effects due to crystallographic changes of the adsorption site”, J. Phys. Chem. 2006, in press.

n H. Somnitz, M. Fida, T. Ufer, R. Zellner: “Pressure dependence for the CO quantum yield in the photolysis of acetone at 248 nm: A combined experimental and theoretical study”, Phys. Chem. Chem. Phys. 2005, 7, 3342.

n S. Seisel, A. Pashkova, Y. Lian, R. Zellner: “Water Uptake on Mineral Dust and Soot: A Fundamental View on the Hydrophilicity of Atmospheric Particles?”, Faraday Discuss. 2005, 130, 437.

n C. Mund, R. Zellner: “Optical Levitation of Single Micro-Droplets at Temperatures down to 180 K”, ChemPhysChem 2003, 4, 630.

n H. Somnitz, R. Zellner: “Theoretical Studies of Unimolecular Reactions of C2-C5 Alkoxy Radicals, Part. I. Ab initio Molecular Orbital Calculations”, Phys. Chem. Chem. Phys. 2000, 2, 1899.

n

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n How quickly do trace gases such as H2O, NOx and SO2 react with mineral dust and soot surfaces? How and under which conditions are soot aerosols oxidised?n How long do noble gases and protic molecules adhere to acidic surfaces? What proportion is reflected and what proportion goes into solution?n How do solutions of salts and organic trace substances such as dicarboxylic acids relax when the surrounding humidity is altered (deliquescence and efflorescence)?n What are the factors governing the interactions of nanoparticles with phase boundaries, membranes and proteins?

LLPA/LIF experiment for

simultaneous detection

of NO2 and OH.

Optical levitation of microdroplets.

Page 32: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

The range of teaching on offer in the Bachelor and Master degree courses and the teacher training courses are modu-larly-structured, i.e. the content is presented in the form of related lectures, practicals and exercises. Each is followed by a written or oral examination. The degree grade is comprised of the weighted individual grades. The Bachelor thesis (dura-tion: half a semester) is prepared at the end of the Bachelor course, the Master thesis (one semester) at the end of the Master course. With the M.Sc., a doctorate in the subject chemistry or a related subject can be aspired to; this route is also open to especially qualified Bachelor degree holders fol-lowing appropriate preparatory studies. Typically, between 2.5 and 4 years are estimated for the doctorate.A speciality of the Master course in chemistry at the University of Duisburg-Essen is the “Medical-Biological Chemistry” branch of study: Here, aspiring Bachelors and Masters can acquire knowledge from the subjects of biochemistry and physiology – together with medical students. An additional focal point of medical-biological chemistry lies upon organic synthesis. Master degree holders in this branch of study can therefore refer to extensive competences both in classic chemistry subjects as well as in their medicine-relevant appli-cation and can position themselves as sought-after interdisci-plinary experts in the employment market.

Studying at the Department

of Chemistry

Bachelor Course in Chemistry (qualification B.Sc., 6 semesters)

Master Course in Chemistry (qualification M.Sc., 4 semesters)

Bachelor Course in Water Sciences (qualification B.Sc., 6 semesters)

Master Course in Water Sciences (qualification M.Sc., 4 semesters; in the English language)

Chemistry for Teaching at Secondary and Comprehensive Schools (9 semesters)

Chemistry for Teaching at Elementary, Extended Elementary and Secondary Schools and the Corresponding Years at Comprehensive Schools (7 semesters)

Chemistry for Teaching Chemistry, Chemical Technology and Biotechnology at Technical Colleges (9 semesters)

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Currently (early 2007), the Department of Chemistry at the University of Duisburg-Essen is offering the following courses:

top: Students are integrated into

research early on.

below: Dedicated training even across

the borders of subjects.

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Mentor ProgrammeIn order to facilitate entering into the course of studies, groups of ten to fifteen students are each assigned to a university lec-turer as a mentor at the start of the course. Each of these groups meets twice per semester, typically late in the afternoon in an atmosphere as informal as possible, to exchange important tips and information about potential trip hazards. These circles are retained throughout the entire course of studies and are refreshed by new first semester students in the following years; in this way, not only do the students get to know each other better as the semester pass by – the exchange of information also takes place so effectively that each of the new students can inform themselves at first hand of the approaching hurdles and the best strategies for mastering them successfully. The mentors are also available for discussion with individual students, part of the group or the whole group outside of this arrangement.However, not only the students profit from this structured and regular exchange of information: The lecturers can also adapt their courses to the specific requirements of the changing student generations and ultimately also raise the quality of the degrees: Problems with the content and organisation of courses are quickly identified and resolved. Last but not least, in this way the foun-dation is laid for the necessary trust required as a basis for the individual, goal-orientated counselling of the students – on the one hand, particularly gifted and motivated students are to be shown ways to use the opportunities offered by the study course as effectively as possible; on the other hand, students who are not competent or motivated enough for the study course can be shown individual, feasible alternatives without losing face.

A special feature of the Master course in Chemistry at

the University of Duisburg-Essen:

The “Medical-Biological Chemistry” branch of study.

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Teacher Training at

Elementary, Extended

Elementary and

Secondary Schools

Teacher Training for Secondary

and Compre-hensive Schools

Teacher Training for

Technical Colleges

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PROMOTION IN THE SUBJECT CHEMISTRY OR ANOTHER SUBJECT

Chemistry focal point:

Advanced classes in chemistry

subjects

Medical-biological chemistry focal point:

Advanced classes in organic chemistry, physiology and bio-

chemistry, in addition to the chemistry subjects

Foundation classes with a large choice of electives;

Bachelor thesis in the 6th semester

Basic classes in chemistry, biochemistry,mathematics and physics

Advanced classes in chemistry, analytics,

microbiology, hygiene and process engineering

Foundation classes with a large choice of electives;

Bachelor thesis in the 6th semester

Basic classes in chemistry, biochemistry, mathematics, physics and microbiology

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An overview of the study courses on offer.

Page 34: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

A Region Waiting to be

Explored!The University of Duisburg-Essen is nestled in a landscape so diverse that it can hardly be equalled anywhere in the world. Situated in the middle of the greater urban area of the Ruhr district, it profits from an urban environment which has grown together out of numerous individual towns over the last 150 years. The cities of Oberhausen, Gelsenkirchen, Bochum and Mülheim an der Ruhr which are located around Essen, and the places to be found further to the east, Herne, Witten and Dortmund, all border each other in many areas and often even merge seamlessly into one another: The result is a conurbation that combines the advantages of a metropolis with the charm of many individually-developed city centres. Consequently, the population of around five million people living in the Ruhr district do not only share an unusually diverse range of consumer goods, but also numerous concert and theatre stages, such as the Aalto-Oper in Essen and the Bochumer Schauspielhaus, as well as endless cultural sites from the large Arena Oberhausen to small show stages for audiences of only a few dozen. Added to this, the cosmopolitan Ruhr district has also become a melting pot of cultures over the past decades due to a comparatively high proportion of the population having a migratory background. Thus, in the region, mosques can sometimes be found alongside Christian churches; of course, this is also reflected in the broad cul-tural palette of the region. The spectrum of events on offer ranges from experimental poetry readings, for instance in the trendy Hundertmeister bar in Duisburg, to all facets of established high culture, for example within the framework of the Ruhr-Triennale, which is also of national significance and uses outstanding indus-trial monuments of the Ruhr district as venues for the events: There is something here for everyone! On the subject of industrial monuments! Cultural events in the Ruhr district often actually take place in buildings that stand for the industrial heritage of the metropolis: In old collieries, coking plants and smelting works that have been carefully restored and made accessible to the public as part of the transformation from the German coal-mining district to a modern service-providing region. Often – as in the case of the former Zeche Zollverein in Essen, ennobled to World Cultural Heritage status since 2006 – the old winding towers are still standing and are waiting with their surrounding parks for people to visit. Many of the buildings have been single-handedly renovated by artists and play host to changing exhibitions – such as the Künstlerzeche Unser Fritz in Herne. In the former industrial ambience it is not only dining that becomes a special culinary experience (for example in the Casino Zollverein); strolling alongside abandoned steel giants has its own very special appeal – for example through the grounds of the Landschaftpark Duisburg-Nord; a former smelting works which at night is bathed in the light of inspiring illumination.Needless to say, the history of the Ruhr district as a former focal point of German heavy industry should not mislead you into see-

Inform yourself !http://www.zeche-zollverein.de/Englische%20Version/index2.html

http://www.ruhrgebiettouristik.de/index.php?LA=en

http://www.route-industriekultur.de/menue/menue.html&lang=2

http://www.landschaftspark.de/en/home/index.php

http://www.ruhrtriennale.de/en/

http://en.kulturhauptstadt-europas.de/start.php

ing the conurbation merely as a grey city. The opposite is actually the case! Generous green landscapes, such as the Grugapark in Essen, invite you to take a walk, almost everywhere you are only a few steps away from green islands in which you can linger. And it is thanks to the fact that the Ruhr District is a more elongated urban formation along the three “lifelines” – in other words motorways – the A40, A42 and A2, that worthwhile recreational areas such as the Baldeneysee, the romantic Auenlandschaft in Mülheim an der Ruhr and expansive woods with an extensive network of walking routes such as the Haard are only a few minutes away by car; to the north there is the beautiful Münsterland suitable for cycling, to the west lies the Lower Rhine, to the east and the south the countryside becomes more mountainous: Here you are invited to take advantage of numerous viewing points. Even the Dutch North Sea coast is not far away. And a large number of castles, palaces and monasteries – some of which have been lovingly restored – reminds people of the fact that the region had a lively and rich history even before coal was discovered.Even those interested in sports will find the necessary challenges all around the University of Duisburg-Essen. Skiing is even possible in summer: In the Alpincenter in Bottrop, the longest indoor skiing slope in the world – it almost goes without saying that it is not located on a natural peak, but on a former slag heap. Take us up on our invitation to the Ruhr district! You will not only find world-class research, but an exciting and multifaceted region to be explored as well.

The former smelting works in Duisburg-Meiderich

in the Landschaftspark Duisburg-Nord has been

equipped with an architectural lighting installation

by the British artist Jonathan Park.

Street cafe in the centre of Duisburg.

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Inform yourself !http://www.zeche-zollverein.de/Englische%20Version/index2.html

http://www.ruhrgebiettouristik.de/index.php?LA=en

http://www.route-industriekultur.de/menue/menue.html&lang=2

http://www.landschaftspark.de/en/home/index.php

http://www.ruhrtriennale.de/en/

http://en.kulturhauptstadt-europas.de/start.php

The Zeche Zollverein:

Once the most modern colliery in the world,

now part of the World Cultural Heritage.

The Baldeneysee:

Recreation area in the south of Essen.

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Page 36: Chemistry - Willkommen an der Universit¤t Duisburg-Essen

Imprint/Impressum:

Publisher/Herausgeber:

Fachbereich Chemie, Universität

Duisburg-Essen

Universitätsstr. 5, 45117 Essen

Dekanatssekretariat Essen

Tel.: 0201 / 183 - 31 94

Fax: 0201 / 183 2449

EMail:

[email protected]

Text:

Dr. Stefan Albus

Landwehrweg 44, 44627 Herne

Tel.: 02323 / 49 13 95

EMail: [email protected]

Translation/Übersetzung:

Brian Greatorex

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Tel.: 02163 / 57 57 672

EMail: [email protected]

Layout/Gestaltung:

Birgit Sieckmann

Sieckmann. Design für Print & Screen

Hörsterholz 1d, 44879 Bochum

Tel.: 0234 / 94 42 86 72

EMail: [email protected]

Photography/Fotografie:

Ruth Albus

Mr. Magic Pressedienst GbR

Landwehrweg 44, 44627 Herne

Tel.: 02323 / 49 13 95

EMail: [email protected]

Print/Druck:

Druckzentrum Hußmann

Kantstr. 5 - 13, 44867 Bochum

Tel.: 02327 / 307 - 0

EMail: [email protected]

AREA

AREA

Chemistry at the University of Duisburg-Essen: http://www.uni-duisburg-essen.de/chemie/index.shtml

International Information: http://www.uni-duisburg-essen.de/internationales/index_en.shtml

Contact:

Dekanat Chemie Universitätsstraße 5 D-45117 EssenGermany Mail: [email protected] Phone: +49 201 183 – 31 94