Book of Abstracts 6. Berliner Chemie Symposium 2. Chemie in Praxis

Transkript

1 Book of Abstracts 6. Berliner Chemie Symposium 2. Chemie in Praxis Technische Universität Berlin, TC Building Straße des 17. Juni 124, Berlin

2 We thank all our Sponsors and Supporters

3 Impressum Copyright 2017 JungChemikerForum Berlin & Junge WirtschaftschemikerInnen juwichem.de 1

4 2

5 Contents Greetings from JCF Berlin and JuWiChem 5 Program 6 Berliner Chemie Symposium 9 Plenary Lecture Talks Session :00 11:20 : Pietro Dallabernardina :20 11:40 : Nina S. Genz Session :30 14:50 : Matthew Plutschack :50 15:10 : Ulrike Warzok :10 15:30 : Felix Rösicke Session :45 16:05 : Kathrin Voigtländer :05 16:25 : Max Bartetzko :25 16:45 : Tilmann Neubert Poster Advances in Organic and Inorganic Chemistry Analysis, Manipulation and Simulation Catalysis Innovative Materials Molecular Life Sciences Supramolecular Systems Surfaces and Interfaces Other Chemie in Praxis 45 Chancengleichheit - Einblicke & Status quo :30 10:00 : Prof. Thisbe Lindhorst (GDCh-Präsidentin/Uni Kiel) 48 10:00 10:25 : Dr. Torsten Glinke (VAA) :25 10:50 : Marion Hackenthal (Gewerkschaft IG BCE) :50 11:15 : Ilka Paulus (DFG) Ist Karriere chancengleich? :30 11:50 : Dr. Christine Anders (Evonik) :50 12:10 : Prof. Dorothea Fiedler (FMP Berlin) :10 12:30 : Sonja Jost (DexLeChem) Familie und/oder Karriere? :00 14:25 : Dr. Annette Brüne (ALTANA Group) :25 14:50 : Prof. Axel Jacobi von Wangelin (Uni Regensburg).. 56 Index 57 Index ChiP Poster Talks Program Greetings 3

6 Greetings Program Talks Poster ChiP Index 4

7 Greetings from JCF Berlin and JuWiChem Dear Guests, Greetings it is a pleasure to welcome you to the 6 th Berliner Chemie Symposium (BCS) and 2 nd Chemie in Praxis (ChiP). The JCF Berlin (JungChemikerForum Berlin) is proud to arrange both events in cooperation with JuWiChem (Junge WirtschaftschemikerInnen) bringing together young students, PhDs researchers, graduates and entrepreneurs from chemistry and related fields of science. We invite all participants to the 6 th BCS to get inspired by exchanging research ideas with other scientists from the local and national scientific community. Starting off with a plenary talk given by Prof. Dr. Axel Kleemann, the day continues with selected short talks presented by young researchers. A scientific poster session provides valuable opportunities for scientific discussions and networking with fellow researchers. We are also very happy to welcome you to the 2 nd ChiP, which is a great opportunity to take a look at important questions concerning the future career. Invited practitioners from industry, academia and other bodies address the diverse topic equality of chances in science and business. You will hear different insides regarding trends and challenges in career paths and options to balance career and family. We are happy to welcome our GDCh president Prof. Dr. Thisbe Lindhorst as key speaker and are looking forward to fruitful discussions. Both events take place at the internationally renowned Technische Universität of Berlin, which is located in the heart of Germany s capital. We are grateful for the generous support of our host enabling this two-day event and also for financial support of our sponsors. We thank you for your active participation and wish you an inspiring and enjoyable stay. Best wishes JCF Berlin and JuWiChem 5

8 Program BCS - Thursday, 6 th April 2017 Program 09:30 09:45 Opening Session 09:45 10:45 Plenary Talk Prof. Axel Kleemann 10:45 11:00 Coffee Break 11:00 11:40 Session 1 11:00 11:20 : Pietro Dallabernardina (Max-Planck-Institut für Kolloid- und Grenzflächenforschung) 11:20 11:40 : Nina S. Genz (Technische Universität Berlin) 11:40 14:30 Lunch Break & Poster Session 14:30 15:30 Session 2 15:30 15:45 Coffee Break 15:45 16:45 Session 3 14:30 14:50 : Matthew Plutschack (Max-Planck-Institut für Kolloid- und Grenzflächenforschung) 14:50 15:10 : Ulrike Warzok (Freie Universität Berlin) 15:10 15:30 : Felix Rösicke (Helmholtz-Zentrum Berlin für Materialien und Energie GmbH) 15:45 16:05 : Kathrin Voigtländer (Technische Universität Berlin) 16:05 16:25 : Max Bartetzko (Max-Planck-Institut für Kolloidund Grenzflächenforschung) 16:25 16:45 : Tilmann Neubert (Helmholtz-Zentrum Berlin für Materialien und Energie GmbH) 17:00 Talk/Poster Prices & Closing 6

9 ChiP - Friday, 7 th April :15 09:30 Begrüßung duch Bianca Schmid (JCF-Berlin) & Katharina Uebele (JuWiChem) 09:30 11:15 Chancengleichheit - Einblicke & Status quo 09:30 10:00 : Prof. Thisbe Lindhorst (GDCh-Präsidentin / Universität Kiel) Program 11:15 11:30 Pause 10:00 10:25 : Dr. Torsten Glinke (VAA Führungskräfte Chemie) 10:25 10:50 : Marion Hackenthal (Gewerkschaft IG BCE) 10:50 11:15 : Dr. Ilka Paulus (Deutsche Forschungsgemeinschaft) 10:30 12:30 Ist Karriere chancengleich? 11:30 11:50 : Dr. Christine Anders (Evonik) 11:50 12:10 : Prof. Dorothea Fiedler (Leibniz-Institut für Molekulare Pharmakologie (FMP)) 12:10 12:30 : Sonja Jost (DexLeChem) 12:30 14:00 Mittagspause & Netzwerken 14:00 14:50 Familie und/oder Karriere? 14:50 15:15 Pause 14:00 14:25 : Dr. Anette Brüne (ALTANA) 14:25 14:50 : Prof. Axel Jacobi von Wangelin (Universität Regensburg) 15:15 16:15 Podiumsdiskussion 16:15 16:30 Abschluss Moderation: Dr. Hildegard Nimmesgern 7

10 Program 8

11 Berliner Chemie Symposium Program

12 Plenary Speaker Prof. Dr. Axel Kleemann Program D Hanau-Hohe Tanne, Amselstrasse 2 aklee60032 [at] aol.com Pharmaceutical Industry in Change After many decades of healthy growth rates of sales and earnings as well as organic organizational growth, the leading multinational pharmaceutical companies ( Big Pharma ) face diverse great challenges in their business since about 10 years. The reasons are different causes that happened and still happen at nearly the same time: patent expiries of big blockbuster drugs, lack of innovative new drugs due to a decline in R&D productivity and efficiency, worldwide economy crisis, and health care reforms in many countries with cost and price pressures and shift to cheap generic drugs. Big Pharma s countermeasures in order to keep not only sales and high profitability but also their shareholders satisfied, are M&A (Mergers and Acquisitions), outsourcing of non-core activities like manufacturing and even parts of R&D as well as increasing collaborations with academia. Concrete examples will be given and the consequences for the companies, societies, patients, and employees will be discussed in detail. In spite of these transformations, the worldwide pharmaceutical market (currently > 1 trillion US-$ ex-works sales) will continuously grow as a consequence of the demographic developments, improving economic conditions in emerging countries and also of progress in biomedical research and last but not least because of innovative new drugs :45 10:45

13 Talks Talks

14 Advances in Organic and Inorganic Chemistry Automated Glycan Assembly of Plant Cell Wall Oligosaccharides Pietro Dallabernardina, Peter H. Seeberger and Fabian Pfrengle Max-Planck-Institut für Kolloid- und Grenzflächenforschung, Am Mühlenberg 1 OT Golm, 14476, Potsdam, GER pietro.dallabernardina [at] mpikg.mpg.de Talks Plant cell wall polysaccharides are highly relevant for human economy and play an important role in the human diet. Xyloglucan and mixed linkage glucans are important classes of hemicelluloses in the cell wall of higher plants. [1] Xyloglucans are constructed from a cellulosic backbone consisting of β-(1 4)-linked D-glucopyranoses highly substituted with α-d-xylopyranose residues in position six of the glucose units. [2] Further monosaccharides such as galactose and fucose may be attached to the xylose substituents. [1] Mixed linkage glucans are unsubstituted glucose-based oligosaccharide, which contain randomly β-1,4-linked cellotriosyl and cellotetraosyl units connected by β-1,3 linkages. [3] A major drawback for studying plant carbohydrates is the low availability of pure poly- and oligosaccharide samples. Therefore homogeneous, well-defined oligosaccharide samples obtained by chemical synthesis are essential molecular tools for investigating the structure and function. Automated solid phase synthesis has emerged as a powerful tool for the facile and expedient generation of plant carbohydrate libraries. We obtained a number of cellulose, xyloglucan and mixed linkage glucan fragments by iterative addition of monosaccharide and disaccharide building blocks to a solid support followed by cleavage of the oligosaccharides from the resin and final deprotection steps. [4][5] These glycans will be used as molecular probes to investigate the specificities of xyloglucan-modifying enzymes and cell wall glycan-directed antibodies on microarray chips. Automated glycan assembly of plant cell wall oligosaccharides used as molecular probes to investigate cell wall glycan-directed antibodies on microarray chips. [1] A. Ebringerova, Z. Hromadkova, T. Heinze, Adv. Polym. Sci. 2005, 186, 1, 1, 1-10 [2] M. Pauly, P. Albersheim, A. Darvill, W. S. York, Plant J. 1999, 20, 629, 1, 1-10 [3] R. A. Burton, M. J. Gidley, G. B. Fincher, Nat. Chem. Biol. 2010, 6, , 1, 1-10 [4] P. Dallabernardina, F. Schumacher, P. H. Seeberger, F. Pfrengle, Org. Biomol. Chem. 2016, 14, , 1, 1-10 [5] P. Dallabernardina, F. Schumacher, P. H. Seeberger, F. Pfrengle, Chem. Eur. J., 2017, DOI: /chem , 1, :00 11:20 No. 1

15 Catalysis Influence of precursors on structural and kinetic properties of Fe x O y /SBA-15 model catalysts Nina S. Genz and Thorsten Ressler Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni, 10623, Berlin, GER n.genz [at] tu-berlin.de Motivation Understanding structure-activity correlations of functional materials is an important subject in catalysis research. Therefore, many studies aim at synthesizing and characterizing suitable model systems with reduced chemical and structural complexity. In heterogeneous catalysis, catalytic reactions occur on the surface of catalysts with the surface structure differing significantly from that of the bulk. Hence, dispersing metal oxides on well-defined support materials is a promising approach towards model systems. Nanostructured silica materials, such as SBA-15, represent suitable supports for metal oxide catalysts. Currently, various different synthesis procedures are used for dispersing active iron sites on support materials. Nevertheless, achieving well-dispersed and small iron species is still challenging. [1] Here, the influence of both varying precursor and varying iron loading on structural and solid-state kinetic properties of Fe xo y/sba-15 model catalysts is reported. Experimental Mesoporous support material, SBA-15, was obtained according to procedures described by Zhao et al.. [2] Fe xo y/sba-15 samples were prepared by the incipient wetness technique. Therefore, aqueous solutions of two different iron(iii) precursors were used. Structural characterization was conducted by XRD, N 2 physisorption, and DR-UV-Vis measurements. In situ characterization of reduction of Fe xo y/sba-15 was performed in 5 % H 2 in 95 % Ar atmosphere. Talks Results Structural and kinetic properties of a series of Fe xo y/sba-15 catalysts showed both precursor-dependent and precursor-independent variations. Sizes of supported iron species were influenced by both varying iron loading and varying precursor. An increasing size of the supported iron species correlated with an increasing iron loading. Fe(III)-nitrate precursor induced Fe xo y sizes larger than those obtained from Fe(III)- citrate precursor, but smaller than those of α-fe 2 O 3 in a mechanical mixture of Fe 2 O 3 and SBA-15. Additionally, Fe xo y/sba-15 samples exhibited significant differences in reducibility and reduction mechanism. These differences were also attributed to both precursor effects and effect of iron loading. In situ characterization of reduction of supported iron species obtained from nitrate precursors revealed an increasing reducibility and decreasing apparent activation energy of the rate-determining step with increasing iron loading. Moreover, non-isothermal reduction kinetics revealed a correlation between apparent activation energy of the rate-determining step in reduction and iron species size. Our results demonstrated significant changes in non-isothermal reduction kinetics of Fe xo y/sba-15 samples obtained from different precursors. Hence, not only structural but also solid-state kinetic properties of Fe xo y/sba-15 catalysts can be employed to advance our understanding of structure-activity correlations of these systems. [1] Z. Gabelica et al., J Therm Anal Calorim [2] D. Zhao, Science , 5350, No. 2 11:20 11:40 13

16 Catalysis Visible-Light-Mediated Achmatowicz Rearrangement Matthew Plutschack Biomolecular Systems, Max-Planck-Institut für Kolloid- und Grenzflächenforschung, Am Mühlenberg 1, 14476, Potsdam, GER Matthew.Plutschack [at] mpikg.mpg.de Visible-light-mediated photoredox catalysis is a viable method to access highly reactive intermediates from cheap, readily available, and shelf-stable reagents to perform clean chemical transformations. Here, we report the first photoredox-catalyzed Achmatowicz reaction of furfuryl alcohol derivatives to produce functionalized dihydropyranones while only forming easily separable NaHSO 4 as a byproduct. The water solubility of the byproduct facilitates direct Boc-protection of the resulting hemi-acetal without the need for column purification. The reaction is very robust and permits the use of various aqueous solutions and light sources including sunlight. Talks Two-step method for the conversion of furans to dihydropyranones :30 14:50 No. 3

17 Supramolecular Systems Investigation of Dimeric and Hexameric Halogen-Bonded Supramolecular Capsules by Electrospray Ionization Mass Spectrometry and Ion Mobility-Mass Spectrometry Ulrike Warzok 1, Lotta Turunen 2, Kari Rissanen 2 and Christoph A. Schalley 1 1 Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195, Berlin, GER 2 Department of Chemistry, NanoScience Center, University of Jyvaskyla, P.O. Box 35, FI-40014, Jyvaskyla, FIN u.warzok [at] schalley-lab.de Supramolecular chemistry focusses on the formation of complex molecular assemblies on the basis of non-covalent interactions in order to achieve functionality similar to natural processes. Within this framework, supramolecular capsules have been of particular interest since Rebek published the tennis ball capsule [1] in Numerous examples were introduced which make use of diverse binding motives involving hydrogen bonding, metal coordination, ion pair interaction or recently also halogen bonding. [2] Hereby, the scope is expanded of both, fundamental understanding and aspired application e.g. as supramolecular catalysts [3] or as nano-containers. We herein present the formation of dimeric [4] and hexameric supramolecular capsules based on the interaction of pyridyl-substituted resorcin[4]arene cavitands with positively charged halonium ions by three-center halogen bonds. Electrospray ionization mass spectrometry (ESI-MS) and ion mobility-mass spectrometry (IM-MS) proved to be powerful tools in the analysis of these large non-covalent assemblies. The formation and high stability of the complexes as well as their well-defined capsular gas-phase structures with the proposed [N I + N] binding mode could be confirmed using these techniques. Their gas-phase reactivity and the resulting fragmentation mechanism give valuable information on intrinsic properties and even on the encapsulation behavior of guest molecules. Additionally, the solvent-dependent dynamic behavior of the hexameric halogen-bonded capsules in solution was investigated. Further characterization of the capsules includes NMR investigation in solution and single crystal X-ray analysis. Talks Dimeric and Hexameric Halogen-Bonded Supramolecular Capsules [1] R. Wyler, J. de Mendoza, J. Rebek, Jr., Angew. Chem. Int. Ed. Engl. 1993, 32, [2] a) M. Fujita, S. Nagao, K. Ogura, J. Am. Chem. Soc. 1995, 117, ; b) G. V. Oshovsky, D. N. Reinhoudt, W. Verboom, J. Am. Chem. Soc. 2006, 128, ; c) N. K. Beyeh, F. Pan, K Rissanen, Angew. Chem. Int. Ed. 2015, 54, [3] Q. Zhang, K. Tiefenbacher, Nature Chem. 2015, 7, [4] L. Turunen, U. Warzok, R. Puttreddy, N. K. Beyeh, C. A. Schalley, K. Rissanen, Angew. Chem. Int. Ed. 2016, 55, No. 4 14:50 15:10 15

18 Surfaces and Interfaces How to forge a DNA-sensor out of (almost) every surface Felix Rösicke1, Victor Brus1, Timur Shaykhutdinov2, Karsten Hinrichs2 and Jörg Rappich1 1 Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Kekuléstr. 5, 12489, Berlin, GER 2 Leibniz-Institut für Analytische Wissenschaften - ISAS - e.v., Schwarzschildstr. 8, 12489, Berlin, GER felix.roesicke [at] helmholtz-berlin.de Talks We report, a new, impressively simple pathway [1] for the functionalization of arbitrary substrates. The substrates are functionalized by the transfer of a nm-thin graphene layer, covalently functionalized by the reduction of p-(n-maleimido)benzenediazonium cations [2]. Even flexible substrates like PTFE tape were functionalized. Infrared Ellipsometry measurements and Raman backscattering confirm both the presence of the desired functionalization on the graphene prior to and after transfer, as well as the covalent nature of the bonds. Furthermore, optical simulations, as well as infrared atomic force microscopy (IR-AFM) were applied to determine the thickness and chemical composition of the functional layer prior and after transfer. The transfer procedure was shown to have almost no influence on the thickness of the functionalization. Consequently, PNA probe strands were immobilized on the graphene as previously explained, and transferred to a FET substrate. The resulting resistive DNA sensor shows good selectivity towards complementary ssdna. 1bp-mismatch ssdna was shown not to evoke a similar response. (a) Morphology of a pre-transfer PNA modified graphene layer. (b) IR-Map of the Amide I vibration. (c) IR-Map of the C=O vibration, resulting from the Maleimido anchor layer. (d) Control spectra of the designated areas in (b). [1] [2] F. Rösicke et al. - submitted Rösicke, F., Gluba M.A., et al., Electrochemistry Communications, 57(1), (2015) 16 15:10 15:30 No. 5

19 Supramolecular Systems Layer-by-Layer Modification of Self-Assembled Nanotubes from Amino Acid Amphiphiles in Solution Kathrin Voigtländer 1, Inbal Abutbul-Ionita 2, Dganit Danino 2 and Michael Gradzielski 1 1 Institut für Chemie, Technische Universität Berlin, Straße des 17. Juni 124, 10623, Berlin, GER 2 Department of Biotechnology and Food Engineering, Technion Israel Institute of Technology, , Haifa, ISR kathrin.voigtlaender [at] tu-berlin.de Nanotubes with a well-defined radius can be formed by self-assembly of amino acid amphiphiles (AAAs, short synthetic peptides generated from amino acids and fatty acids). The AAA K:C 12 -β 12 (N-α-lauryl-lysyl-aminolauryl-lysyl-amide) self-assembles into stable nanotubes of great length (up to several µm) and a diameter of nm by progressing from long thin fibers via twisted and helically coiled ribbons to nanotubes. This has been studied to some extent previously [1],[2]. Recent experiments have shown that such AAA nanotubes, which are naturally charged depending on ph, can be used as templates to produce multi-layered nanotubes. These can be produced by subsequent deposition of oppositely charged materials, e.g. polyelectrolytes, on the nanotube surface by applying the layer-by-layer (LbL) technique [3]. Thus, we study the structural details of AAA nanotubes modified by the addition of different polyelectrolytes and for an increasing number of deposition steps in aqueous solution. By combining different techniques like scattering methods (SLS/DLS, SANS, SAXS), AFM and direct-imaging methods (cryo- and dry TEM, SEM) a comprehensive understanding of structural details of the modified nanotubes can be gained with ph and surface charge as the expected major control parameters. The polyelectrolyte modification yields hybrid nanotubes with potentially adjustable properties rendering these systems much more versatile for employment in future applications, e.g. in delivery systems and as smart materials. Talks Figure 1. A: Schematic illustration of the self-assembly route of K:C 12 -β 12 [from 2], B: ph-dependent self-assembly of K:C 12 -β 12, C: Multi-layered nanotube produced by layer-by-layer (LbL) deposition on nanotubes of K:C 12 -β 12, D: Neutron scattering curves of LbL-modified nanotubes of K:C 12 -β 12. [1] L. Ziserman, A. Mor, D. Harries, D. Danino, Phys. Rev. Lett. (2011), 106, p [2] L. Ziserman, H.Y. Lee, S.R. Raghavan, A. Mor, D. Danino, J. Am. Chem. Soc. (2011), 33, p [3] G. Decher and J.-D. Hong, Makromol. Chem., Macromol. Symp. (1991), 46, p. 321 No. 6 15:45 16:05 17

20 Advances in Organic and Inorganic Chemistry Automated Glycan Assembly of Plant Cell Wall-Derived Arabinogalactan Oligosaccharides for Epitope Mapping of Cell Wall Glycan-Directed Antibodies and Investigation of Substrate Specificities of β1,4-endo-galactanases Max Bartetzko, Peter Seeberger and Fabian Pfrengle Biomolecular Systems, Max-Planck-Institut für Kolloid- und Grenzflächenforschung, Am Mühlenberg 1 OT Golm, 14476, Potsdam, GER max.bartetzko [at] mpikg.mpg.de Talks Arabinogalactan glycan structures of different connectivities are found in plant cell wall pectin polysaccharides and as glycan moieties of cell wall embedded arabinogalactan proteins (AGPs). Despite the great biological relevance of these arabinogalactan structures, [1] experiments investigating the exact function and occurrence of arabinogalactans often suffer from the lack of defined arabinogalactan oligosaccharide probes. Automated solid-phase synthesis provided access to 24 well-defined arabinogalactan oligosaccharides, resembling naturally occurring structural motifs. Rapid assembly of the oligosaccharides on solid support was enabled by iterative glycosylation and deprotection reactions using only seven monosaccharide building blocks equipped with a sophisticated pattern of protecting groups. [2] After cleavage from the solid support and global deprotection highly pure and well-defined oligosaccharide structures were obtained and printed as microarray for the epitope mapping of cell wall glycan-directed monoclonal antibodies. Furthermore parts of the library were used to determine substrate specificities of β1,4-endo-galactanases. Automated Glycan Assembly of Plant Arabinogalactans as Probes for Microarray Epitope Mapping [1] A. M. Pereira, L. G. Pereira, S. Coimbra, Plant Reprod. 2015, 28, 1-15, 1, 1-10 [2] (a) M. P. Bartetzko, F. Schuhmacher, H. S. Hahm, P. H. Seeberger, F. Pfrengle, Org. Lett. 2015, 17, (b) M. P. Bartetzko, F. Schuhmacher, P. H. Seeberger, F. Pfrengle, J. Org.Chem. 2017, 82, , 1, :05 16:25 No. 7

21 Surfaces and Interfaces Sulfhydryl-functionalized gold and graphene surfaces towards (bio-)sensing applications Tilmann J. Neubert 1, Felix Rösicke 1,2, Guoguang Sun 3, Norbert H. Nickel 1 and Jörg Rappich 1 1 Institut für Silizium-Photovoltaik, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Kekuléstrasse 5, 12489, Berlin, GER 2 School of Analytical Sciences Adlershof (SALSA), Humboldt-Universität zu Berlin, Unter den Linden 6, 10099, Berlin, GER 3 ISAS-Berlin, Leibniz-Institut für Analytische Wissenschaften ISAS e.v., Schwarzschildstraße 8, 12489, Berlin, GER tilmann.neubert [at] helmholtz-berlin.de The modification of electrode surfaces with aryl compounds via the electrochemical reduction of diazonium compounds is a prominent route towards detection systems based on electronic measurements. A broad variety of functional groups in fewto monolayer structures is achievable by this electrografting process on e.g. gold surfaces. These functional groups include amino, maleimide, nitro, carboxyl, and hydroxyl [1]. However, some functional groups like the sulfhydryl group are less accessible. Achieving a sulfhydryl functionalization on gold surfaces is problematic since sulfhydryl groups themselves are attracted and adsorbed to gold easily by forming self-assembled monolayers. An approach found in literature [2] addresses this problem by the electrochemical deposition of a disulfide and a subsequent electrochemical cleavage. Upon reproduction of this method, it was found not to yield the expected sulfhydryl groups, but undefinable residues. Therefore, we propose a new path to modify metal and graphene surfaces by the electrodeposition of the symmetrical 4,4 -Bis(diazoniumphenyl)disulfide via the respective diazonium cation. The grafted disulfides are then reduced wet-chemically. The obtained free sulfhydryl groups are detected by IR spectroscopic ellipsometry and XPS. The reactivity of the functionalized surfaces is proven by the immobilization of maleimide group carrying molecules. The deposition and modifications on the electrode surfaces are furthermore investigated by micro-gravimetric electrochemical quartz crystal microbalance (EQCM) measurements. This technique allows the on-line monitoring of mass changes on the sample substrates and thereby yields information on the layer thickness, as well as its Faradaic efficiency. Additionally, hints on the deposition and the reaction mechanism can be drawn. Talks [1] D. Belanger & J. Pinson, Chem. Soc. Rev. (2011), 40, [2] L. T. Nielsen (et.al.), J. Am. Chem. Soc. (2007), 129, No. 8 16:25 16:45 19

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24 Advances in Organic and Inorganic Chemistry INVESTIGATING THE SYNTHESIS OF 5-PHOSPHASEMIBULLVALENES: AN EXPERIMENTAL AND THEORETICAL STUDY Massimo Rigo and Christian Müller Institut für Chemie und Biochemie, Freie Universität Berlin, Fabeckstrasse 34-36, 14195, Berlin, GER mrigo [at] zedat.fu-berlin.de During our intensive research on phosphinines and the related phosphabarrelenes, we recently discovered that phosphabarrelenes can undergo a quantitative photochemical di-π-methane rearrangement towards 5-phosphasemibullvalenes. This hitherto unknown conversion of unsaturated phosphorus compounds leads to configurationally stable, chiral products as proven by means of HPLC analysis and X-ray diffraction. The proposed mechanism for the di-π-methane rearrangement and the selectivity of the reaction were confirmed experimentally and by means of DFT calculations, and we were able to structurally characterize a number of 5-phosphasemibullvalene derivatives, extending the substrate scope of this reaction to differently substituted phosphabarrelenes. Some of the obtained derivatives present interesting optical properties. Moreover several derivatives have been tested as ligands in the gold-catalyzed cycloisomerization of propargyl amide. These preliminary investigations pave the way for the use of these compounds as ligands in (asymmetric) homogeneous catalysis and for phosphorus-containing molecular materials. Poster Photoisomerization of phosphabarrelenes to phosphasemibullvalenes 22 No. 1

25 Analysis, Manipulation and Simulation Laser ablation ICP-MS of polyacrylamide gels - A new internal standard approach René Becker, Jule Heimerl, Ahmed El-Khatib and Michael W. Linscheid Institut für Chemie, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, 12489, Berlin, GER rene.becker [at] hu-berlin.de Laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) in bio analysis has proven to be a versatile technique providing images with both high sensitivity and spatial resolution [1]. One potential application is the quantification of element-containing or labelled proteins separated with gel electrophoresis directly from the gel. However, one challenge that still needs to be solved is the normalization and calibration of the signal to account for plasma fluctuations or inhomogeneities of the ablated surface. Up until now, normalization is based either on using the 13 C isotope signal [2] or thin layers of elements applied as standard on top of the gel [3][4]. Here, we present a new approach for internal calibration, incorporating elemental standards into the gel matrix. Therefore, a stable complex of the metal used as internal standard is incorporated covalently into the gel matrix of polyacrylamide gels. Mixtures of defined ratios of standard proteins bovine serum albumin and α-lactalbumine are labelled with MeCAT [5] and subsequently separated with gel electrophoresis. Gels can be processed as usual, including staining with Coomassie brilliant blue. Protein bands are excised, dried and then analysed by LA-ICP-MS. As internal standards mainly lanthanide ions were used, due to their high sensitivity and few interferences in ICP-MS. Homogeneous distribution of the standard inside the gel could be verified both by LA-ICP-MS and direct infusion ICP-MS of mineralized gel spots. Normalization significantly increased the quality of the images especially regarding local deterioration of the laser focus when measuring large areas and regarding comparability of different measurements also on different days. Poster [1] Pozebon et al., J. Anal. At. Spectrom. (2014), 29, 2204 [2] Konz et al., Anal. Bioanal. Chem. (2012), 403, 2113 [3] Warnken et al., Anal. Chem. (2004), 76, 6077 [4] Hoesl et al., J. Anal. At. Spectrom. (2014), 29, 1282 [5] Schwarz et al., Anal. Bioanal. Chem. (2011), 401, 1203 No. 2 23

26 Analysis, Manipulation and Simulation Collision Specific Fragmentation of Oligonucleotides in Tandem Mass Spectrometry Experiments Stefanie Ickert 1,2, Jens Riedel 2, Sebastian Beck 1 and Michael W. Linscheid 1 1 Institut für Chemie, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, 12489, Berlin, GER 2 Bundesanstalt für Materialforschung und -prüfung, Richard-Willstätter-Str. 11, 12489, Berlin, GER stefanie.ickert [at] bam.de Poster Tandem MS experiments allow the fast acquisition of spectral datasets with enormous size and unprecedented content of information. As a consequence of the vast information content obtained in short time, more and more automated machine based algorithms are being used for analysis of the spectral databases. Throughout MS/MS experiments several different fragmentation methodologies are established in routine analysis. The most commonly used method is undoubtedly collision induced dissociation (CID). Here in between the individual MS discrimination steps the ions pass a collision cell in which fragmentation occurs via different (competitive) dissociation pathways. The relatively young technical adaptation of CID to modern day Orbitrap experiments needs a higher confinement voltage and has accordingly been named higher-energy collisional dissociation, HE CID or shorter HCD. Despite the name the absolute value of transferred energy per collision in HCD is lower than in CID. Since for many proteins CID and HCD result in comparable fragmentation patterns the two techniques are often treated as interchangeable. This approach is, however, not without pitfalls as other classes of biomolecules often exhibit strongly pronounced fragmentation specificity. As an example, MS/MS experiments on several 4-mer oligonucleotides were conducted employing both collision methods and the results were thoroughly compared. It is apparent that not only the total fragment yield but also the identity of the observed fragments differ significantly between the two methods. The results indicate that in future studies CID and HCD should no longer be treated synonymously, but as two individual techniques resulting in different product channels delivering sometimes orthogonal structural information. 24 No. 3

27 Analysis, Manipulation and Simulation Mass Spectrometry Imaging of MRI Contrast Agents in Biological Tissues Sabrina Trog 1, Ahmed El-Khatib 1, Hee-Jin Lee 1, Marcus R. Makowski 2, Boris Neumann 3, Sebastian Beck 1, Norbert Jakubowski 4 and Michael W. Linscheid 1 1 Institut für Chemie, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, 12489, Berlin, GER 2 Department of Radiology, Charité, Charitéplatz 1, 10117, Berlin, GER 3 Proteome Factory AG, Magnusstraße 11, 12489, Berlin, GER 4 Federal Institue for Materials Research and Testing, Richard-Willstätter-Straße 11, 12489, Berlin, GER sabrina.trog [at] gmail.com The introduction of the first gadolinium-based contrast agent (GBCA) was followed by several other compounds that are quite similar from the safety, efficacy, bio distribution, mechanism of action, and pharmacokinetic point of view. Because of their high-stability, these contrast agents are considered as safe and well-tolerated. However, more and more little secondary effects have been appeared in recent years. Imaging in mass spectrometry (MSI) stands for a powerful tool in investigation of distribution of drug compounds in biological tissue sections and thus, can provide exceptional insights into the fate of contrast agents in biological samples. The combined application of molecular and elemental mass spectrometry (MS) can complement each other and thus, confirm analytical results or even provide additional information. This work includes a strategy to detect and localize gadolinium-based contrast agents (GBCA) in biologically and medically relevant samples implementing mass spectrometry imaging (MSI) techniques in particular matrix-assisted laser desorption ionization mass spectrometry imaging (MALDI-MSI) as well as laser ablation inductively coupled plasma mass spectrometry imaging (LA-ICP-MSI). Sample preparation was performed prudently to sustain localization of these highly hydrophilic GBCA and keep spatial information of the respective tissue sample. The samples analyzed by MALDI-MSI were also measured using LA-ICP-MSI. Due to fluctuations and instrumental drifts during long time measurements a matrix matched internal standard (IS) was introduced. In conclusion, both methods MALDI- and LA-ICP-MSI are in good agreement. LA-ICP-MS as elemental MS technique could confirm the results obtained by molecular MS. Poster No. 4 25

28 Analysis, Manipulation and Simulation APPLICATION OF NEAR-INFRARED SPECTROSCOPY FOR SPORT SUPPLEMENTS IDENTIFICATION Krzysztof Wójcicki Poznań University of Economics and Business, al. Niepodległości 10, , Poznań, POL krzysztof.wojcicki [at] ue.poznan.pl People are continually searching for supplements to help them build muscle, boost energy and lose weight. There are some supplements which are commonly use. Protein is the most important nutrient to boost athletic performance. Whey provide antioxidant benefits, boost immune function and enhance muscle recovery and growth. The branched-chain amino acids (BCAAs) are unique because they are the only amino acids used directly by muscle as energy during exercise. Thus, they can become depleted quickly. Creatine is a supplement which is consumed to ensure maximum intensity workouts and optimal gains in muscle size and strength. Carbonium (Carbo) is a specialized nutritive concentrate for supplementation of carbohydrates in athletes doing intense trainings. The use of a special combination of maltodextrins, dextrose, innovative isomaltulose, taurine and branched-chain amino acids makes the product very efficient in replenishing energy losses. Carbonium increases water absorption during physical exercise, since besides carbohydrates it also contains necessary electrolytic elements. It makes carbonium contribute to maintaining maximum efficiency even during many hours of endurance training. Because of increase in consumption of sport supplements there is a need to find the quick and precision method for quality evaluation of these products. Poster The aim of this study was to apply the near-infrared spectroscopy (NIR) for the analysis of various kinds of sport supplements. We studied several muscle-building supplements including: whey, creatine, carbo and BCAA. The near infrared (NIR) spectra were performed on a MPA FT-NIR spectrometer (Bruker) using reflected light. Single beam spectra of the samples were collected and rationed against a background of air. For each sample, the NIR spectra were recorded from to 4000 cm-1 by co-adding 16 interferograms at a resolution of 4 cm-1. NIR spectra differ in the shape and intensity of the bands depending upon the type of supplement. It was easy to distinguish samples based on measured spectra. For better visualization the chemometric analysis was performed. The principal component analysis (PCA) was used to cluster the near infrared spectra obtained from different types of samples. After performing PCA, the data was plotted in a graph of first principal component (PC1) vs. second principal component (PC2). It was found that PCA allowed to define four groups of sport supplements: (1) whey, (2) creatine, (3) carbo and (4) BCAA. The results presented demonstrate the capability of the near-infrared spectroscopy to characterize and differentiate body-building supplements. Key words: NIR, supplements, spectroscopy 26 No. 5

29 Catalysis The catalytic activity of SBA-16 mesoporous materials containing Pt atoms in the hydrodeoxygenation reaction of 1,3-dimethoxybenzene Paulina Dębek, Agnieszka Feliczak-Guzik and Izabela Nowak Faculty of Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, , Poznań, POL nowakiza [at] amu.edu.pl SBA-16 (Santa Barbara Amorphous-16) is mesoporous silica material with 3D Im3m caged structure, high pore volume, large surface area and high hydrothermal stability. Such characteristics make SBA-16 a promising support for the catalytic applications [1]. This type of material modified with various metal atoms is widely tested in hydrodeoxygenation (HDO) reaction [2]. Hydrodeoxygenation reaction is a promising route to convert bio-oils (produced from lignocellulosic biomass via pyrolysis) into biofuels. Typical process conditions for HDO include temperatures in the range of C and hydrogen pressure between bar [3]. Challenge is to operate the HDO process at lower pressures and temperatures with simultaneous high catalyst efficiency. Therefore, our studies were focused on the use of SBA-16 materials modified with platinum atoms (1 and 3 wt.%) as catalyst in HDO process of 1,3-dimethoxybenzene (1,3-DMB; model compound for pyrolysis oil) with the assumption of minimizing energy consumption. Mesoporous support SBA-16 was prepared using triblock copolymer F127 as the structure directing agent and tetraethyl orthosilicate (TEOS) as the silica source. The synthesized material was modified with H 2 PtCl 6 6H 2 O by wet impregnation method and followed by hydrogen reduction to obtain pure metallic species. Textural and structural properties of the catalysts were characterized by using N 2 sorption, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). Poster HDO of 1,3-DMB was performed in a high-pressure reactor varying two different reaction factors: temperature ( C) and hydrogen pressure (25-60 bar). The products of reaction were identified by gas chromatograph equipped with mass detector and analyzed by using gas chromatograph equipped with FID detector. The main product of the HDO reaction was methoxycyclohexane. The catalytic activity of examined catalysts decreased with increasing reaction temperature and hydrogen pressure. National Science Centre is kindly acknowledged for the financial support (project no: DEC-2013/10/M/ST5/00652). [1] Z. Cao, P. Du, A. Duan, R. Guo, Z. Zhao, H. Zhang. P. Zheng, C. Xu, Z. Chen, Chem. Eng. Sci. (2016), 155, , 1, 1-10 [2] X. Li, G. Chen, C. Liu, W. Ma, B. Yan, J. Zhang, Renew. Sust. Energ. Rev. (2017), 71, , 2, 1-10 [3] A. Sanna, T.P. Vispute, G.W. Huber, Appl. Catal. B-Environ. (2015), 165, , 3, 1-10 No. 6 27

30 Catalysis Formation of methyl lactate from dihydroxyacetone over hierarchical zeolites containing tin Agnieszka Feliczak-Guzik 1, Myroslav Sprynskyy 1, Izabela Nowak 2 and Boguslaw Buszewski 1 1 Department of Chemistry, Nicolaus Copernicus University in Toruń, 7 Gagarin St., , Toruń, POL 2 Department of Chemistry, Adam Mickiewicz University, Umultowska 89b, , Poznań, POL agaguzik [at] amu.edu.pl Poster In recent decade, the synthesis of lactate esters has attracted much attention because they can be prepared from renewable sources. These compounds are obtained via the reaction of lactic acid with alcohols, e.g. methanol, ethanol, butanol by using various catalysts. Alkyl lactates take part in cosmetic and herbicidal formulations and are used as skin whitening products. They are also utilized as solvents and plasticizers for cellulose plastics or vinyl resins[1]. This work focuses on the synthesis of methyl lactate derivatives from isomerisation of dihydroxyacetone (DHA) by using hierarchical zeolites containing tin. Zeolites are a large group of microporous crystalline aluminosilicate materials that are usually used in fine-chemical industry. These materials are characterised by large surface area, high adsorption capacity, hydrothermal/thermal stabilities and shape-selectivity in catalysis [2-3]. Nonetheless, the mass transfer are significantly limited in zeolites containing in their structure only micropores, which result in reduced catalytic efficiency. Therefore, the materials which possess additional porosity in the mesopore size region, such as hierarchical zeolites have attracted significant attention of scientists. For the synthesis of mesoporous zeolites, 0.5g of HY or Naβ zeolite was dispersed in a mixture containing water, CTABr, ethanol and ammonia under an ultrasonic treatment for 30 minutes. After that, TEOS and tin(iv) chloride pentahydrate (silicon and tin sources, respectively) were added and the suspension was stirred for 4 h. The synthesis of mesoporous hierarchical zeolites was carried out at 65 C. The solid was then recovered by filtration and washed with water and ethanol, the template was removed by calcination at 550 C for 5 h in air. The reaction of dihydroxyacetone with methanol was carried out at 80 C for 5h. Main reaction products were pyruvic aldehyde (PA), methyl lactate (ML) and pyruvic aldehyde diethyl acetal (PADA). Acknowledgements National Science Centre is kindly acknowledged for financial support (project FUGA- 5 no: 2016/20/S/ST4/00547). References 1. Pighin E., Díez V.K., Di Cosimo J.I., Applied Catalysis A: General 517 (2016) Davis M.E., Nature 471 (2002), Cundy, C. S., Cox, P.A., Chem. Rev. 103 (2003) No. 7

31 Catalysis Synthesis of KIT-5 mesoporous silica materials containing sulfonic groups and their application in the acid-catalyzed reactions Sylwia Jarmolińska, Agata Wawrzyńczak and Izabela Nowak Faculty of Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, , Poznań, POL sylwia.jarmolinska [at] amu.edu.pl Various acid-catalyzed reactions can be effectively promoted by solid acid catalysts. Especially, mesoporous materials functionalized with sulfonic groups can be used as efficient catalyst in the acid catalyzed reactions [1]. Mesoporous silicas of KIT-5 type possess easily modifiable external and internal surfaces, where different organic functional groups can be incorporated. The sources of functional groups are mostly organosilanes, which can be introduced by two different approaches, namely postfunctionalization of the synthesized mesoporous silica or co-condensation of the primary building blocks during the synthesis step. Thus, the purpose of the presented studies was to obtain KIT-5 mesoporous materials modified with sulfonic groups and apply them in the acid catalyzed reactions, viz. Friedel-Crafts alkylation and esterification of myristic acid. The above mentioned processes are of high importance due to the great practical importance in the chemical, pharmaceutical or cosmetic industry [2], [3]. KIT-5 mesoporous materials were synthesized with tetraethyl orthosilicate (TEOS) as a silica source and triblock copolymer Pluronic F127 as a structure directing agent (template). In order to synthesize sulfur-containing materials, 3-mercaptopropyltrimethoxysilane (MPTMS) was used. The molar ratio between TEOS and MPTMS was set to or Thiol-modified KIT-5 materials were oxidized with H 2 O 2, so that materials containing sulfonic groups could be obtained. Before using in catalytic reactions, physicochemical properties of the synthesized mesoporous materials were characterized. Structural parameters were determined by small-angle X-ray diffraction (XRD) and transmission electron microscopy (TEM). Textural parameters were calculated on the basis of the low-temperature N 2 sorption measurements. FT-IR spectroscopy was applied in order to confirm the template removal, whereas the amount of sulfur introduced into the siliceous matrix was calculated by virtue of elemental analysis. Poster Synthesized materials were tested in two different acid-catalyzed reactions: Friedel- Crafts alkylation of anisole with benzyl alcohol and esterification of myristic acid with a number of aliphatic alcohols. The obtained results confirmed that KIT-5 materials modified with sulfonic groups contain active centers that can be utilized as acid catalyst in several catalytic reactions. National Science Centre is kindly acknowledged for the financial support (project no: DEC-2013/10/M/ST5/00652). [1] T. Kamegawa, A. Mizuno, H. Yamashita, Catal. Today, (2015), 243, [2] T.F. Parangi, R.M. Patel, U.V. Chudasama, Bull. Mater. Sci., (2014), 37, [3] S. Samutsri, J. Panpranot, D.N. Tungasmita, Micropor. Mesopor. Mater., (2017), 239, No. 8 29

32 Innovative Materials Synthesis and structural characterization of platinum-incorporated SBA-16 mesoporous materials Paulina Dębek, Agnieszka Feliczak-Guzik and Izabela Nowak Faculty of Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, , Poznań, POL nowakiza [at] amu.edu.pl Since the new family of ordered mesoporous materials were firstly synthesized by Mobil Oil Company in 1992 by utilizing surfactants as structure-directing templates, many scientists have been interested in such strategy [1]. SBA-16 (Santa Barbara Amorphous-16) molecular sieve is an environmental friendly material that possesses 3D cubic Im3m structure with large surface area, pore diameter and dual-porosity system consisting of micropores and mesopores. These unique properties make these materials potentially used in adsorption and catalysis [2]. The aim of our work was the synthesis of SBA-16 materials containing platinum atoms (1 and 3 wt.%) and to determine their physicochemical properties. Mesoporous molecular sieves of SBA-16 were synthesized by hydrothermal method. Tetraethyl orthosilicate (TEOS) was used as a silica source, whereas triblock copolymer (Pluronic F127) served as a structure directing agent. Platinum was incorporated into the siliceous matrix using an impregnation technique with hydrated H 2 PtCl 6 as a metal source and followed by hydrogen reduction to obtain pure metallic species. The physicochemical properties of the catalysts were characterized by using X-ray diffraction (XRD), low-temperature N 2 adsorption-desorption measurements, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). Poster The small-angle XRD patterns exhibited diffraction peak that can be associated with the body-centered cubic Im3m symmetry of 3D mesoporous structure of SBA-16. The wide-angle XRD patterns showed typical diffraction peaks, which are characteristic of platinum atoms. The nitrogen physisorption measurements have shown that materials possesses high surface area. Isotherms of SBA-16/Pt illustrated, that materials exhibits IVa isotherm type (according to IUPAC classification) with H2 hysteresis loop and a narrow pore size distribution curve which is characteristic of SBA-16 type materials. Fourier transform infrared spectroscopy showed the presence of bands typical for silica materials. The SEM images of samples showed that their morphology is not disturbed during incorporation of platinum into SBA-16 framework. Additionally, TEM results revealed that platinum was successfully incorporated into silica without affecting their structural morphology. National Science Centre is kindly acknowledged for the financial support (project no: DEC-2013/10/M/ST5/00652). [1] Y. Dong, X. Zhan, X. Niu, J. Li, F. Yuan, Y. Zhu, H. Fu, Micropor. Mesopor. Mat. (2014), 185, , 1, 1-10 [2] A.T. Shah, M.I. Din, F.N. Kanwal, M.L. Mirza, Arab. J. Chem. (2015), 8, , 1, No. 9

33 Innovative Materials Preparation of hierarchical zeolites containing niobium Agnieszka Feliczak-Guzik 1, Myroslav Sprynskyy, Izabela Nowak and Boguslaw Buszewski 2 Department of Chemistry, Adam Mickiewicz University, Umultowska 89b, , Poznań, POL 1 Department of Chemistry, Nicolaus Copernicus University in Toruń, 7 Gagarina Street, , Toruń, POL agaguzik [at] amu.edu.pl Zeolites (microporous materials) are broadly used in industry because of their distinct pore dimensions and connectivity (topology), multidimensional framework and chemical composition. The microporous crystalline structures of these materials offer good hydrothermal stability and molecular sieving capability for different catalytic reactions. Nevertheless, the catalytic performance of zeolite can be restricted by molecular diffusion in microporous structures. Hierarchical zeolites consisting of mesoscale porosity imposed on microporous structures are an original class of porous materials exhibiting both molecular sieving ability and fast mass transport. The latter allows molecules of substrates to access the active sites that are located within micropores and reduce the removal time of product molecules from catalysts, leading to increase reaction rates and catalyst life-time (slower deactivation) [1-3]. This work focuses on the synthesis and characteristics of hierarchical zeolites containing niobium. Zeolite HY or Naβ was dispersed in a mixture containing cetyltrimethylammonium bromide, water, ethanol and ammonia solution under ultrasonic treatment for 30 minutes. Next, sources of silicon and niobium were added and stirred for 4 h. Synthesis of these materials was carried out at 338K. Then, the solid product was recovered by filtration and washed with water and ethanol. The template was removed by calcination at 873K for 5 h in air. All of obtained materials were characterized by using: X-ray diffraction (XRD), transition electron microscopy (TEM), scanning electron microscopy (SEM), SEM/EDX, elementary analysis, N2 physisorption, FTIR and UV-Vis spectroscopies. The crystal structure is one of the first characteristics assessed in the preparation of hierarchical mesoporous zeolites. It was confirmed by low-angle XRD patterns that all materials show characteristic diffraction peaks at a 2 theta value of approximately 2.5 with corresponding d spacing of 3.7 nm, indexed as the mesoporous structure. Additionally, wide-angle XRD patterns proved the Y or β zeolite structure retention. Hierarchical mesoporous zeolites containing niobium are a new class of materials that can be used as catalysts in different chemical reactions, for example: isomerization, oxidation or hydrogenation. Poster Acknowledgements National Science Centre is kindly acknowledged for financial support (project FUGA- 5 no: 2016/20/S/ST4/00547). References 1. Davis M.E., Nature, 471(6891), 813 (2002) 2. Cundy C. S. and Cox P. A., Chem. Rev., 103(3), 663 (2003) 3. Holm M.S., Taarning E., Egeblada K. and Christensen C.H., Catal. Today, 168, 3 (2011) No

34 Innovative Materials Coiled-coil-based synthetic extracellular matrix for stem cell differentiation Katharina Hagen 1, Nan Ma 2 and Beate Koksch 1 1 Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195, Berlin, GER 2 Abteilung Biokompatibilität, Institut für Biomaterialforschung, HZG Teltow, Kantstraße 55, 14513, Teltow, GER K.Hagen [at] fu-berlin.de Biomaterials have numerous applications in the fields of tissue engineering and regenerative medicine, which rely on the use of stem cells or progenitor cells. Coiled-coil peptides have been increasingly investigated as highly suitable scaffolds for cell culture applications due to their self-assembly properties [1], which allow multivalent ligand presentation. [2] Furthermore, temperature-responsive hydrogels have been shown to promote growth and differentiation of rat adrenal pheochromocytoma cells. [1] To date, however, very few examples of 2D and 3D coiled-coil based scaffolds that influence stem cell behavior exist. Poster Figure 1. Concept of coiled-coil peptide scaffold bearing all information for self-assembly into networks of α-helical fibers and carrying a recognition sequence to direct stem cell differentiation. Here we present a well-defined coiled-coil system that assembles into α-helical fibers under physiological conditions. [2] Recognition motifs are attached in the solvent exposed domain of the scaffold to direct stem cell differentiation into a specific lineage. [1] E. F. Banwell; E. S. Abelardo, D. J. Adamy, A.M. Birchall, A. Corrigan, A. M. Donald, M. Kirkland, L. C. Serpell, M. F. Butler, D. N. Woolfson, Nat. Mater. 2009, 8, [2] E. Zacco, C. Anish, C. E. Martin, H. v. Berlepsch, E. Brandenburg, P. H. Seeberger, B. Koksch, Biomacromolecules 2015, 16, No. 11

35 Innovative Materials Natural alkaloids: classical dopaminergic agonists formulated in new drug delivery systems Irina Pereira 1,2,3, Aleksandra Zielińska 1,4, Ana Cláudia Santos 1,5, Elena Sanchez-Lopez 6,7, Amélia M. Silva 2,8, Maria L. Garcia 6,7, Izabela Nowak 4 and Eliana B. Souto 1,3 1 Department of Pharmaceutical Technology, Faculty of Pharmacy, University of Coimbra, Pólo da Saúde (III), , Coimbra, POR 2 Department of Biology and Environment, School of Life and Environmental Sciences (ECVA, UTAD), University of Trás-os-Montes and Alto Douro, Quinta de Prados, , Vila Real, POR 3 REQUIMTE/LAQV, Group of Pharmaceutical Technology, Faculty of Pharmacy, University of Coimbra, Pólo da Saúde (III), , Coimbra, POR 4 Laboratory of Applied Chemistry, Faculty of Chemistry, Adam Mickiewicz University in Poznań, ul. Umultowska 89b, , Poznań, POL 5 Institute for Innovation and Health Research, Group Genetics of Cognitive Dysfunction, Institute for Molecular and Cell Biology, Rua do Campo Alegre, 823, , Porto, POR 6 Department of Physical Chemistry, Faculty of Pharmacy, University of Barcelona, Gran Via de les Corts Catalanes, 585, 08007, Barcelona, ESP 7 Institute of Nanoscience and nanotechnology (IN2UB), Faculty of Pharmacy, University of Barcelona, Gran Via de les Corts Catalanes, 585, 08007, Barcelona, ESP 8 Centre for Research and Technology of Agro-Environmental and Biological Sciences (CITAB-UTAD), University of Trás-os-Montes and Alto Douro, Quinta de Prados, , Vila Real, POR ebsouto [at] ff.uc.pt Plant-extracted alkaloids have a complex cyclic structure, mainly composed of a nitrogen-containing heterocyclic ring. Bromocriptine (BC), lergotrile, pergolide and cianergoline are natural ergot alkaloids, and are known examples of potent dopaminergic agonists [1]. An imbalance in the dopaminergic neurotransmitter is associated with several neurological conditions, such as Parkinson disease (PD). Thereby, current efforts have been made worldwide to take advantages of natural alkaloids properties, mainly BC, towards the treatment of PD. Drug delivery systems, such as polymeric and lipid nanoparticles, are recognized as potential approaches for the treatment of several central nervous conditions, since they are able to circumvent P-glycoprotein and surpass the blood-brain barrier (BBB) [2]. Recent studies have proven that it is possible to encapsulate BC in nanostructured lipid carriers (NLC) composed of a tristearin/tricaprin mixture [3], monoolein aqueous dispersions (MAD) and cubosomes [4]. Another strategy to surpass the BBB consists of selecting a different administration route. According to the literature, intranasal administration of chitosan-coated nanoparticles loaded with BC has been successfully developed, promoting an efficient drug release [2]. As such, the use of natural alkaloids loaded in physiological lipid nanoparticles combined with a non-invasive administration route can be potentially beneficial for the treatment of central nervous conditions. Poster [1] G. Puras, et.al., Graefe s Archive for Clinical and Experimental Ophthalmology (2002), 240, [2] S. Md, et.al., European Journal of Pharmaceutical Sciences (2013), 48, [3] E. Esposito, et.al., Pharmaceutical Research (2008), 25, [4] E. Esposito, et.al., European Journal of Pharmaceutics and Biopharmaceutics (2012), 80, No

36 Innovative Materials Ordered mesoporous silica of different structures modified with Pt or Ir species synthesis and characterization Agata Wawrzyńczak and Izabela Nowak Faculty of Chemistry, Adam Mickiewicz University in Poznań, Wieniawskiego 1, , Poznań, POL agata.wawrzynczak [at] amu.edu.pl Poster Since 1992, when materials of M41S family were discovered [1], a significant interest in the ordered mesoporous materials has been noticed. Ordered mesoporous silicas (OMS) can be synthesized on the basis of a synergistic self-assembling which occurs between structure-directing agents and silica species and leads to the ordered materials with a strictly definite structure. In order to enhance catalytic activity of siliceous materials, heteroatoms can be incorporated into or onto their structure, either during synthesis or by the post-synthesis modifications [2]. Therefore, the aim of this work was to develop synthesis procedures for obtaining ordered mesoporous materials, namely 2D hexagonal silicas (SBA-15, MCM-41) and their 3D cubic counterparts (SBA-16, MCM-48) modified with heteroatoms like Pt or Ir. 2D hexagonal and 3D cubic silicas were synthesized via a typical hydrothermal method, where tetraethyl orthosilicate and the aqueous solutions of H 2 PtCl 6 6H 2 O and IrCl 3 were applied as a source of Si, Pt and Ir ions, respectively. Triblock copolymers, i.e. Pluronic F127 and Pluronic P123 were used as structure-directing agents in the case of SBA-15 and SBA-16, whereas the ionic surfactant (CTABr) was applied during the synthesis of MCM-41 and MCM-48 materials. The obtained materials were calcined in air under static conditions at 823K for 6h. A comprehensive characterization of all products was done by the means of lowtemperature N 2 sorption measurements, as well as XRD, TEM/SEM and H 2 -TPR analysis. Catalytic activity of the obtained materials was preliminarily evaluated in oxidation of α-pinene with H 2 O 2. On the basis of N 2 sorption measurements and XRD analysis, it can be concluded that mesoporous silicas with highly ordered hexagonal and cubic structures were synthesized. Moreover, a successful modification with heteroatoms was also performed. National Science Centre is kindly acknowledged for the financial support (project no: DEC-2013/10/M/ST5/00652). [1] C.T. Kresge, et.al., Nature (1992), 359, [2] N. Linares et.al., Chem. Commun., (2011), 47, No. 13

37 Molecular Life Sciences Towards gating current measurements Characterization of G402S and G404S mutants in HCN2 channels Dominik Lenz, Ralf Schmauder, Thomas Zimmer and Klaus Benndorf Institut für Physiologie II, Universitätsklinikum Jena, Kollegiengasse 9, 07743, Jena, GER dominik.lenz [at] med.uni-jena.de HCN channels are nonspecific cation channels that are activated by hyperpolarizing voltages and modulated by camp. They are expressed in both sinoatrial node and in brain pacemaker cells and evoke rhythmic electrical activity in these tissues. While modulation of HCN2 channels by camp is well understood and detailed kinetic models have been determined by studying ligand binding and activation gating in parallel [1], similarly detailed models of voltage activation would benefit from studying the movement of the voltage sensor domain containing as central element the positively charged S4 helix. Similar to other voltage-gated channels, the movement of the voltage sensor domain should cause a small and transient current, the gating current. As the gating current in the slowly activating HCN channels is presumably exceptionally small, its measurement requires highly optimized conditions, in particular the complete absence of the ionic current. We use Xenopus laevis oocytes as heterologous expression system and the cut-open voltage-clamp technique to record the current from a big portion of the oocyte membrane with a high signal-to-noise ratio. Neither use of internal (ZD7288) or external blockers (Cs + ), nor non-conducting cations such as NMG, were able to totally abolish the ionic current. Surprisingly, pore mutants such as G402S or G404S did not only still conduct, but showed an interesting two-phasic activation kinetics: While the first phase is similar to normal sigmoidal HCN kinetics, the second phase develops after ms of activation and does not reach a steady-state even after activation for 90 seconds. We investigated whether this second component is a direct effect of a pore dilatation or an indirect activation of endogenous channels as the Ca 2+ -dependent or hyperpolarization-activated chloride channels. Using different blockers such as Gd 3+, La 3+, Ba 2+ and Cs + two components of the current could be differentiated: One HCN-like and one probably resulting from endogenous chloride channels. Moreover, using fast ramp protocols, rectification of HCN2wt and pore mutants is shown to be significantly different. Poster [1] J. Kusch, S. Thon, et.al., Nat. Chem. Biol (2012), 8, No

38 Supramolecular Systems Presentation of Multivalent Mannose Conjugates on Supramolecular Cyclodextrin Vesicles and the Influence of Surface Carbohydrate Density on Lectin Binding Svenja Ehrmann 1, Chih-Wei Chu 2, Christian Kühne 3, Kim Silberreis 3, Jens Dernedde 3, Bart Jan Ravoo 2 and Rainer Haag 1 1 Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195, Berlin, GER 2 Institut für organische Chemie, Westfälische Wilhelms-Universität Münster, Correnstr. 40, 48149, Münster, GER 3 Insitut für Labormedizin, Klinische Chemie und Pathobiochemie, Charité Universitätsmedizin Berlin, Campus Virchow Klinikum, Augustenburger Platz 1, 13353, Berlin, GER svenja.ehrmann [at] fu-berlin.de Poster Understanding lectin-carbohydrate recognition at cell surfaces during bacterial adhesion processes is of high relevance for the development of artificial cell systems. Different factors and their specific influences inlcuding valency, topology, carbohydrateligand density and glyco-cluster effects are currently under investigation. Experimentally, non-ionic bilayer vesicles based on amphiphilic β-cyclodextrin are often used as model compounds for biological membranes. By decoration with carbohydrate ligands, these vesicles are suitable as mimic of an artificial glycocalix. [1] In this work, we synthesized and investigated three different mannose-adamantyl conjugates, including mono-, tri-, and octavalent mannose, which can bind to cyclodextrin vesicles through the formation of cyclodextrin-adamantyl inclusion complexes. Thus, we were able to adjust the carbohydrate density on the surface of cyclodextrin vesicles and to form local clusters of mannose. The synthesis of the octavalent mannose-adamantyl conjugate was realized by using glycerol-based dendrons. In the following, we performed Surface Plasmon Resonance (SPR) measurements to analyze the lectin binding affinity to Concanavalin A (ConA). Comparing the binding affinity of the bare mannose-adamantyl conjugates and conjugates bound to the vesicle, we observe an increasing binding affinity by a factor of around five due to multivalent presentation of the ligands on the vesicles. Furthermore, we investigated ConA-induced agglutination of ligand-decorated vesicles by OD400 experiments. Here, we studied the influence of mannose-density on the vesicle surface on the agglutination process. Dynamic Light Scattering (DLS) and Cryogenic Transmission Electron Microscopy (Cryo-TEM) measurements were performed for shape and size analysis of the vesicles. Isothermal Titration Calorimetry (ITC) provided insights in the stability of the cyclodextrin-adamantyl complexes. Future experiments will focus on in-vitro investigations and the multivalent binding of our carbohydrate-vesicle systems to E.coli bacteria. [2] [1] U. Kauscher, B. J. Ravoo, Beilstein J Org Chem, 2012, 8, [2] Z. Qi, P. Bharate, C.-H. Lai, B. Ziem, C. Böttcher, A. Schulz, F. Beckert, B. Hatting, R. Mülhaupt, P. H. Seeberger and R. Haag., Nano Lett, 2015, 15, No. 15

39 Supramolecular Systems Planar Chiral Crown Ammonium Rotaxanes: New Directions for Mechanically Interlocked Molecules Marius Gaedke, Henrik Hupatz, Hendrik V. Schröder and Christoph A. Schalley Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195, Berlin, GER m.gaedke [at] schalley-lab.de Supramolecular systems, which are designed to act as molecular switches or even molecular machines constantly attract attention in the scientific community. Not only since last years Nobel Prize in Chemistry, researchers try to mimic nature s molecular machinery, which are abundant protagonists in biological processes. [1] The major goal in this field is the directed and controlled motion of these machines on the nanoscale. This requires a set of boundary conditions: (i) an energy gradient, (ii) a confined space, (iii) an element of chirality. [2] So far, only few examples are described, which incorporate an element of chirality in order to give directionality to a supramolecular system. [3] Here, we present the synthesis and characterization of chiral [2] and [3]rotaxanes based on the crown ammonium motif. A modular tool box approach thereby allows the preparation of a chiral rotaxane library from few building blocks. The rotaxanes are characterized by mass spectrometry, NMR and circular dichroism spectroscopy to unravel the interplay of planar chirality and mechanical bonding. Poster Planar chiral rotaxanes through directional macrocycles [1] S. Erbas-Cakmak, D. A. Leigh, C. T. McTernan, A. L. Nussbaumer, Chem. Rev. 2015, 115, [2] C. A. Schalley, K. Beizai, F. Vögtle, Acc. Chem. Res. 2001, 34, [3] R. J. Bordoli, S. M. Goldup, J. Am. Chem. Soc. 2014, 136, No

40 Surfaces and Interfaces Revealing binding secrets of mussel-inspired adhesive peptide on nanoparticle surfaces by using solution NMR spectroscopy Narendra L.Venkatareddy Institut für Chemie, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, 12489, Berlin, GER narendralv2 [at] gmail.com Bio-inspired peptides of mussel adhesive protein s (MAP s) can show strong and selective adhesion to inorganic surfaces under ambient conditions and outperform technical wet-glues for potential biomedical applications. One of the key chemical components behind the strong mussel adhesion is L-DOPA (3, 4-dihydroxy L- phenylalanine).furthermore, neighboring residues contribute considerably in the binding mechanism.however, the molecular basis of peptide interactions toward inorganic surfaces is not yet entirely understood. Using Phage Display (PD) technique, we identified Al2O3 binding enzyme activated peptides. In the present contribution, we report a solution NMR spectroscopy study revealing insights into interactions of bio-inspired peptides, showing sequence-specific and strong adhesion onto Al2O3 nanoparticle (NP) surfaces.nuclear Overhauser Effect (NOE) based ligand-receptor screening methods such as Saturation Transfer Difference (STD) and NOESY experiments were applied to understand the orientation and bound structure of the peptide on the surface. The orientation of the peptide on the surface was determined by transferring magnetization from nanoparticle surface to the nearby proton of the peptide. In-depth insights of the aqueous peptide-al2o3 interfaces binding via either entropically or enthalpically driven mechanisms have been revealed by molecular dynamic simulation studies. Poster 38 No. 17

41 Other Synthesis of hybrid inorganic/organic homopolymers via ATRP and RAFT: A practical comparison Sebastian Czarnecki 1,2, Sebastian Hackelbusch 1 and Annabelle Bertin 1, PolyNanotechBiomed, Bundesanstalt für Materialforschung und -prüfung, Unter den Eichen 87, 12205, Berlin, GER 2 Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195, Berlin, GER sebastian.czarnecki [at] bam.de The synthesis of hybrid inorganic/organic copolymers, using reversible deactivation radical polymerization (RDRP) techniques, has been an intensively studied research topic over recent years. A plethora of hybrid inorganic/organic copolymers were demonstrated, including hybrid inorganic/organic block copolymers as well as inorganic/organic random copolymers, and their great potential in fabricating hybrid (nano)materials with tailored properties. Two widely employed RDRP techniques to prepare such hybrid inorganic/organic copolymers are atom transfer radical polymerization (ATRP) and reversible addition-fragmentation chain transfer (RAFT) polymerization. In order, to afford hybrid inorganic/organic copolymers with narrow dispersities, high conversions and precise structures, it is required to choose proper reaction conditions. Due to the importance of both ATRP and RAFT in the preparation of such hybrid polymers, we aim to compare both RDRP techniques by preparing 2-acetoxyethyl methacrylate (AcEMA) and 3-(triethoxysilyl)propyl methacrylate (TESPMA) based homopolymers. For this purpose, AcEMA and TESPMA were polymerized in 1,4-dioxane at 60 C mediated by CuBr/N,N,N,N -pentamethyldiethylenetriamine (PMDETA) and 2-(2-carboxylethylsulfanylthiocarbonyl-sufanyl) propionic acid (TTC) as well as cumyl dithiobenzoate (CDB) to evaluate the suitability of ATRP and RAFT. Poster No

42 Other The use of laser diffraction technique in determination of stability of cosmetic formulations containing catalpol Marta Dąbrowska and Izabela Nowak Faculty of Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, , Poznań, POL marta.dabrowska [at] amu.edu.pl Introduction Catalpol is one of the most common irydoids, which influences the acceleration of the wound healing process through the synergistic anti-inflammatory and antioxidative action [1][2]. Therefore, it is of great interest for cosmetic industry as an effective active ingredient in anti-aging skin care products. The cosmetic base must be safe and stable in a certain period of time and under storage conditions. It is also important to determine if an active substance does not cause the instability of formulation. The aim of this study was to estimate the stability of different cosmetic formulations containing catalpol. Methods The research was performed using a laser diffraction (Mastersizer 2000, Malvern, UK). Using this technique, the change of particle size distribution of cosmetic formulations in time can be measured. In order to study the stability of formulations containing catalpol, macroemulsion o/w and microemulsion were prepared. These formulations contained catalpol (0.5 wt.%) and were stored in different temperature conditions (4, 25 and 40 C). The measurement was performed at the day of preparation and after 30, 60 and 90 days. Poster Results The results showed that the addition of catalpol did not influence the stability of investigated cosmetic formulations. In the case of macroemulsion o/w, it was observed that the most stable were formulations stored at 4 C, whereas the less stable were those stored at 40 C. Moreover, it was concluded, that the temperature did not cause significant difference in microemulsion stability. Conclusion The use of laser diffraction technique in stability studies is very important for the development of cosmetic formulations with new active ingredients. The research showed that the addition of catalpol did not have an influence on formulations stability, so catalpol may be an active substance of stable cosmetic/pharmaceutical formulations. [1] M. Dąbrowska, I. Nowak, Pol J Cosmetol (2016), 2, [2] PJ. Houghton, et.al., Phytochemistry (2003), 64, No. 19

43 Other Determination of alkaloids contained in Chelidonium Majus L. by high performance liquid chromatography (HPLC) Aleksandra Glowka 1, Matylda Resztak 2 and Izabela Nowak 1 1 Department of Chemistry, Adam Mickiewicz University in Poznan, Umultowska 89b, , Poznan, POL 2 Department of Physical Pharmacy and Pharmacokinetics, Poznan University of Medical Sciences, Swiecickiego 6, , Poznan, POL aleksandra.glowka [at] amu.edu.pl The world of plants is one of the main sources of raw materials used in many areas of our lives. To a large extent, this is due to its diversity. In nature, there are currently about 2,000 species of plants considered to be medicinal, which can be a potential source of raw materials for the pharmaceutical industry [1]. Chelidonium majus L., also known as greater celandine, is a plant naturally occurring in Europe, Asia and South America, known in folk medicine for centuries [2]. Its biological activity is mainly due to the presence of alkaloids contained therein. So far, more than 30 have been identified including alkaloids such as: benzophenanthridine (chelidonine, chelerythrine, sanguinarine), protoberberine (coptisine, berberine), porphine (magnoflorine) and protopine (protopine) type. This plant shows a wide spectrum of biological activity including antitumor activity, cytotoxic, fungicidal, anti-inflammatory, and many others. In this study, the determination of chelidonine, allocryptopine, chelerythrine and sanguinarine in the serum by HPLC method was conducted and methodology including validation process was elaborated. (1) S.M.K. Rates, Plants as source of drugs, Toxicon 39 (2001) (2) A. Ostrzenski Gynecology: Integrating Conventional, Complementary and Natural Alternative Therapy Poster No

44 Other Evaluation of Flow-through Dialysis Probes for Sampling and Sample Preparation of Complex Samples: Hyphenation to Flow Analysis and Ion Chromatography Inga Markeviciute and Wolfgang Frenzel Institute of Environmental Engineering, Technische Universität Berlin, Straße des 17. Juni, 10623, Berlin, GER i.markeviciute [at] tu-berlin.de Sampling of liquids is generally performed using containers which at the measuring site are filled with a (representative) parent sample. After having been transferred to the laboratory the liquid samples are often subjected to further pretreatment before they are eventually submitted to the analytical instrument. The sampling and sample pretreatment steps involved are laborious and have been identified as a serious source of error introduction due to contamination or analyte losses. Poster In the present paper we report the development and evaluation of dialysis probes which are capable at the same time to act as a sampling unit for liquids and as an efficient filter for particulate matter and high molecular-weight substances. The probe is immersed in the laboratory into the liquid sub-sample contained in a beaker or alternatively at-site (without taking a sub-sample) directly into the sample medium being this a process stream, an effluent or any kind of water body. The analyte is transferred across the semipermeable membrane by diffusion to a perfusion stream separated from the sample by a suitable dialysis membrane. The perfusion liquid containing only a representative portion of dialyzable compounds can be collected in a fraction sampler, directly submitted to a detector, admitted to a continuous flow analyzer system or used to feed the injection loop of a flow injection analyzer or liquid chromatograph. The performance characteristics of the dialysis probes have been investigated with respect to operating parameters effecting the dialysis efficiency (i.e., flow rate of the perfusion stream, kind of membrane, convective analyte transport in the exterior sample solution) and susceptibility to membrane fouling. Particular emphasis was paid to potential variability of dialysis rate in dependence of sample composition (e.g., ionic strength, viscosity, presence of particulates and adsorbable polymeric constituents) which is a critical point as far as reliable operation and the calibration procedure is concerned. Studies on the separation of various inorganic analytes (including chloride, nitrate, phosphate, sulfate and selected metal cations) have been conducted in the absence and presence of typical matrix constituents occurring in complex environmental samples. In almost any case the dialysis probe has proven to be a robust and reliable device applicable (without sample pre-filtration and/or other clean-up) to the analysis of surface and waste waters, any kind of beverages and extracts of soil, filter-collected particulate matter, plant material and food products. 42 No. 21

45 Other Spectrophotometric determination of phosphorus in salmon and cod using UV-VIS microplate reader Iga Rybicka, Anna Czapiewska and Anna Gliszczyńska-Świgło Faculty of Commodity Science, Poznań University of Economics and Business, al. Niepodległości 10, , Poznań, POL iga.rybicka [at] ue.poznan.pl Phosphorus is an important macroelement in human diet. One of the method of its determination is spectrophotometric molybdenum blue method. It is based on the formation of molybdophosphoric acid from orthophosphate and molybdate under acidic conditions followed by reduction to molybdenum blue. The intensity of the blue color is proportional to the amount of phosphorus present in the sample solution. In the present study, we used 48-microwell plate to determine the content of phosphorus in mineralized fish samples (cod and salmon). Fishes were heated with 65% nitric acid at 40 C until tissue dissolved and then at 90 C for 3 h. After cooling, samples were transferred to 50 ml volumetric flasks, and used for spectrophotometric determination of phosphorus using UV-VIS microplate spectrophotometer (BioTek). Before spectrophotometric determinations, all samples were diluted 20-fold. Each well contained 160 ul of sample solution or blank, 80 ul of 5% ammonium molybdate (molybdate-sulfuric (VI) acid solution), 80 ul of 0.5% hydroquinone (benzene-1,4- diol), and 80 ul of 20% sodium sulfite. The plate was left in the dark for 30 minutes and the absorbance was measured at 823 nm. Dipotassium phosphate was used as the standard. It was found that the linearity of calibration curve was to at least 14 ug/ml (final concentration in well). The method is rapid, because it allows determination of several samples at the same time. The content of phosphorus in different cods ranged from 150 to 161 mg/100 of dry weight, whereas for salmon samples from 176 to 262 mg/100 g of d.w. and it was in agreement with literature data. It is worth to notice that the determination of phosphorus in tested sample was impossible using flame atomic absorption spectrometry, because of its high limit of detection (>400 ug/ml). Poster No

46 Other Ranibizumab - Efficient Remedy for Neovascular Age-Related Macular Degeneration Aleksandra Zielińska 1, Irina Pereira 2,3,4, Ana Cláudia Santos 2,5, Amélia M. Silva 3,6, Izabela Nowak 1 and Eliana B. Souto 2,4 1 Faculty of Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, , Poznań, POL 2 Faculty of Pharmacy, University of Coimbra, Azinhaga de Santa Comba, Pólo da Saúde (III), , Coimbra, POR 3 Department of Biology and Environment, School of Life and Environmental Sciences, (ECVA, UTAD), University of Trás-os-Montes and Alto Douro, P.O. Box 1013, , Vila Real, POR 4 REQUIMTE/LAQV, Group of Pharmaceutical Technology, Faculty of Pharmacy, University of Coimbra, Azinhaga de Santa Comba, Pólo da Saúde (III), , Coimbra, POR 5 Group Genetics of Cognitive Dysfunction, Institute for Molecular and Cell Biology, Institute for Innovation and Health Research, Rua do Campo Alegre 823, , Porto, POR 6 Centre for the Research and Technology of Agro-Environmental and Biological Sciences, University of Trás-os-Montes and Alto Douro (CITAB-UTAD), P.O. Box 1013, , Vila-Real, POR ola.zielinska [at] amu.edu.pl Poster Macular degeneration is one of the leading causes of vision loss among humans worldwide [1]. This health problem increased significantly during the last decades due to the aging of world population and the number of people affected by age-related macular degeneration (AMD) [2]. Nowadays, particular attention is given to the development of effective systems for ophthalmic drug therapy. The neovascular form of the disease mainly causes heavy vision loss and is characterized by the abnormal growth of new blood vessels under or within the macula, the central portion of the retina responsible for high-resolution vision. Neovascularization in this disease is classified by fluorescein angiography into major angiographic patterns termed classic and occult, which may be associated with various degrees of aggressiveness of disease, vision loss, and response to various treatment options [3]. Ranibizumab (RBZ), a humanized monoclonal IgG1 antibody [2],[4], is one of the most promising molecular inhibitors against vascular endothelial growth factor (VEGF) type A, being, therefore, useful in the treatment of AMD [4]. RBZ has been approved by the Food and Drug Administration for the treatment of all angiographic subtypes of subfoveal neovascular AMD [3]. Ranibizumab was developed by Genentech and is marketed in the United States by Genentech and elsewhere by Novartis, under the brand name Lucentis injections of RBZ [5]. A review of the current literature mentions that intravitreal administration of RBZ for 2 years prevented vision loss and improved mean visual acuity, with low rates of serious adverse events, in patients with minimally classic or occult (with no classic lesions) choroidal neovascularization secondary to AMD [2],[3],[4]. In this work, we provide a thorough analysis about new therapeutic systems suitable for the delivery of the VEGF inhibitor to posterior segment of the eye for the treatment of AMD. [1] Weng Y., et al., Acta Pharmaceutica Sinica B. (2016) [2] Osswald C.R., Kang-Mieler J.J., Current Eye Research (2016) [3] Rosenfeld P.J., et al., The New England Journal of Medicine (2016), 355(14): [4] Kourlas H., Abrams P., Clinical Therapeutics (2007), 29(9): [5] Lucentis Fact Sheet. Genentech. 44 No. 23

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48 Chemie in Praxis Chancengleichheit in Wissenschaft und Wirtschaft Friday, 7th April 2017 Block 1 Chancengleichheit Einblicke und Status quo Im ersten Teil des Programms soll den TeilnehmerInnen ein größeres Bild dazu vermittelt werden, wie es in den Bereichen Wissenschaft und Wirtschaft um die Chancengleichheit steht. Mit Eindrücken, Zahlen und Fakten wird dabei auf folgende Leitfragen eingegangen: Was bedeutet Chancengleichheit und wie sieht diese heute aus? Was hat sich getan, nachdem erste Frauenquoten eingeführt wurden und Elternzeit stärker gefördert wird? Welche Entwicklungen sind zu erwarten und was muss in Zukunft noch passieren? Block 2 Ist Karriere chancengleich? Verdient mein männlicher Kollege bei gleicher Ausbildung genauso viel wie ich? Eine häufig gestellte Frage und leider ist die Antwort in vielen Berufen immer noch nein. Immer mehr Konzerne und wissenschaftliche Einrichtungen setzen bereits spezielle Förderungsprogramme um und führen die Frauenquote ein. Führt das schon zu den gewünschten Erfolgen oder ist es noch nicht genug? Sollten Unternehmen und Universitäten überhaupt Einfluss nehmen auf die Gleichbehandlung der Geschlechter? In diesem Themenblock geben erfolgreiche Frauen Einblick in ihre Lebenswege und berichten, wie sie sich in der oft von Männern dominierten, chemischen Industrie durchgesetzt haben. Dabei hören die TeilnehmerInnen, wie man sich strategisch erfolgreich platzieren kann, um gute Aufstiegschancen zu haben und ob eine Frauenförderung wirklich hilfreich dabei ist. Zu diesem Thema hören wir Vertreterinnen aus Industrie und Wissenschaft, welche uns von ihrem eigenen Lebensweg und ihren Berührungspunkten mit dem Thema Chancengleichheit berichten. Block 3 Familie und/oder Karrriere Aus Sicht von WissenschaftlerInnen ist Familie oft schwer zu planen, da häufig unsichere Zeitverträge im Wege stehen. In der Wirtschaft kann es oft der Karriere schaden, einige Monate auszusetzen. Diese Vereinbarkeit von Beruf und Familie, also für beides genügend Zeit zu haben, ist für die Junge Generation eine wichtige Frage, wenn es um die Jobwahl geht. Neben dieser Frage geht es in diesem Themenblock auch um die Chancengleichheit von Müttern und Vätern. Können beide gleich von Unterstützungen wie Elternzeit, Kinderbetreuung und finanzieller Unterstützung profitieren? ChiP Prof. Jacobi von Wangelin von der Universität Regensburg berichtet uns von seiner Erfahrung als Vater und Professor in Elternzeit. Welchen Einfluss hatte diese Entscheidung auf seinen beruflichen Werdegang? Wie waren Reaktionen, Koordination mit der Universität und der eigene, ganz persönliche Eindruck? VertreterInnen aus der Industrie berichten, wie sie persönlich Familie mit einer Industriekarriere vereinbaren. Dabei hören die TeilnehmerInnen, wie sie dabei von ihren Unternehmen unterstützt werden und ob Kinder für die Karriere Chance oder Risiko bedeuten. 46

49 Vorwort & Moderation Chemie in Praxis Chancengleichheit in Wissenschaft und Wirtschaft Dr. Hildegard Nimmesgern Vorstandsvorsitzende des Arbeitskreis Chancengleichheit in der Chemie (AKCC) der Gesellschaft Deutscher Chemiker (GDCh) Es ist noch gar nicht so lange her, dass Frauen studieren durften. Einige wenige Frauen haben sich darüber hinweggesetzt und sogar - um nur an Marie Curie und Lise Meitner zu erinnern - auch bedeutende wissenschaftliche Leistungen erbracht. Die öffentliche Anerkennung wurde ihnen allerdings lange verwehrt. Für junge Studierende ist das heute kaum mehr vorstellbar, und in der Chemie studieren fast gleich viele Frauen wie Männer. Chancengleichheit ist in unserem Grundgesetz verankert. Trotz vieler Fortschritte in der Gleichberechtigung von Frauen und Männern erleben viele Frauen auch heute noch Benachteiligungen, wo Vorurteile und althergebrachte Rollenmuster vorherrschen. Aktuelle Handlungsfelder zielen z.b. auf gleiche Bezahlung bei gleicher Arbeit, flexible Arbeitszeitmodelle und die Vereinbarkeit von Beruf und Familie. In der Wissenschaft werden die Arbeitsbedingungen meist nicht zentral, sondern an Lehrstühlen festgelegt, was die Umsetzung einheitlicher Maßnahmen zu mehr Familienfreundlichkeit erschwert. Hier können Anreize hilfreich sein, wie z.b. das von der Hertie-Stiftung etablierte Audit Beruf & Familie, durch das sich immer mehr Hochschulen zertifizieren lassen. Zu den weiteren Maßnahmen zählen z.b. Job-SharingModelle für Professorinnen, familiengerechte Gremientermine und Kinderbetreuung. Schließlich geht es ja darum, qualifizierte Wissenschaftlerinnen zu halten und zu gewinnen. Was Roman Herzog in seiner Ruck-Rede 1997 in Berlin gesagt hat, gilt auch heute noch: Innovationsfähigkeit fängt im Kopf an, bei unserer Einstellung zu neuen Techniken, zu neuen Arbeits- und Ausbildungsformen, bei unserer Haltung zur Veränderung schlechthin. Damit die Maßnahmen und das bisher Erreichte auch weiterhin Früchte tragen ist es wichtig, das Thema Chancengleichheit lebendig zu halten, zu sensibilisieren und wachsam zu bleiben, um nicht wieder in alte Rollenmuster und Vorurteile zurückzufallen. Chancengleichheit geht uns alle an! 47 ChiP In der chemischen Industrie bilden der Arbeitgeberverband (BAVAC) und die Gewerkschaft IG BCE eine Sozialpartnerschaft und entwickeln gemeinsam chancengerechte Arbeitsstrukturen in den Unternehmen, die Frauen wie Männern den Zugang zu Führungspositionen ermöglichen. Der Druck der Frauenquote für Aufsichtsräte hat schon Wirkung gezeigt. Frauen in Führungspositionen sind sichtbare Vorbilder und ermutigen junge Frauen zum beruflichen Aufstieg.

50 ChiP Prof. Thisbe Lindhorst GDCh-Präsidentin / Universität Kiel Gesellschaft Deutscher Chemiker: Frauen in Führungspositionen in der Chemie Thisbe K. Lindhorst hat in München und Münster Chemie studiert und wurde an der Universität Hamburg promoviert. Nach einem Postdoktorat an der UBC in Vancouver, baute sie in Hamburg ihre eigene Forschungsgruppe auf und habilitierte sich im Fach Organische Chemie. Seit dem Jahr 2000 ist die Lehrstuhlinhaberin für Organische und Biologische Chemie an der Universität und in den Jahren 2016 und 2017 im Amt der gewählten Präsidentin der Gesellschaft Deutsche Chemiker (GDCh). Wiederholt hat sie sich für das Wertedenken in Chemie und Gesellschaft eingesetzt, zu dem sie auch das Thema Chancengerechtigkeit zwischen Männern und Frauen zählt. Sie sagt, Frauen müssen in Führungspositionen genauso normal sein wie Männer, damit wir in der Zukunft zum Guten kommen. Dies ist immer noch nicht erreicht und eine gesellschaftliche Herausforderung, die uns allen eine Aufgabe stellt! ChiP 48 09:30 10:00

51 ChiP Dr. Torsten Glinke VAA Führungskräfte Chemie Chancengleichheit in der chemischen Industrie Ist die Gleichbehandlung von Frauen und Männern erreicht, oder liegt noch Arbeit vor uns? Der Verband angestellter Akademiker und leitender Angestellter der chemischen Industrie e. V. (VAA Führungskräfte Chemie) ist die Interessenvertretung der außertariflichen Mitarbeiter und leitenden Angestellten in der chemisch-pharmazeutischen Industrie in Deutschland. Bereits seit 1990 führt er alle fünf Jahre eine Umfrage zur Situation von weiblichen und männlichen Führungskräften in der Branche durch. Die letzte Umfrage fand 2015 statt. Über deren Ergebnisse sowie die nunmehr seit 25 Jahren durch den VAA beobachte Entwicklung zum Thema wird Dr. Torsten Glinke berichten. ChiP 10:00 10:25 49

52 ChiP Marion Hackenthal Gewerkschaft IG BCE Chancengleichheit in Wissenschaft und Wirtschaft Die Industriegewerkschaft Bergbau, Chemie, Energie vertritt die Interessen aller Beschäftigten der chemischen Industrie gegenüber Wirtschaft und Politik. Gemeinsam mit dem Bundesarbeitgeberverband Chemie hat die IG BCE Grundsätze zu Arbeit und Leben in Balance neue Herausforderungen in einer sich verändernden Arbeitswelt vereinbart. Mit der Charta der Gleichstellung hat die IG BCE Leitlinien und Handlungsfelder der Gleichstellungspolitik gesetzt. Doch wie sehen die konkreten Arbeitsbedingungen aus? Wie entsteht ein Entgelt? Wie die Arbeitszeit? Gibt es eine Entgeltlücke für Frauen in der chemischen Industrie? Welche Unterschiede sehen wir bezüglich der Arbeitszeit? Und welche Antworten haben wir hinsichtlich der Gestaltung chancengleicher Arbeitsbedingungen? Marion Hackenthal ist politische Sekretärin der Industriegewerkschaft Bergbau, Chemie, Energie dort in der Abteilung Frauen/Gleichstellung. Arbeitsschwerpunkte sind unter anderem die zielgruppengerechten Ansprache von Frauen und die Auswirkungen der Digitalisierung auf Frauen. ChiP 50 10:25 10:50

53 ChiP Dr. Ilka Paulus Chemie und Ingenieurwissenschaften 2 Deutsche Forschungsgemeinschaft Bonn, Kennedyallee 40 ilka.paulus [at] dfg.de Studium Promotion Postdoc derzeit Studiengang Chemie (Diplom), Universität Marburg Auslandssemester: Universidad de Concepción, Concepción (Chile) wissenschaftliche Mitarbeiterin Universität Marburg und Universität Bayreuth Promotion an der Universität Marburg (Makromolekulare Chemie, Prof. Andreas Greiner) University of California Santa Barbara (UCSB), Santa Barbara (USA) am California NanoSystems Institute (CNSI) bei Prof. Craig Hawker Referentin bei der Deutschen Forschungsgemeinschaft in der Gruppe Chemie und Ingenieurwissenschaften II für die Bereiche Polymerforschung sowie Physikalische Chemie von Festkörpern und Oberflächen Chancengleichheit in der Wissenschaft Die Deutsche Forschungsgemeinschaft setzt sich entschieden für Chancengleichheit und Gleichstellung von Wissenschaftlerinnen und Wissenschaftlern im deutschen Wissenschaftssystem ein. Die Gleichstellung von Männer und Frauen in der Wissenschaft ist daher seit 2002 in 1 der Satzung der DFG verankert. Denn Chancengleichheit und Gleichstellung zahlen sich auf mehrfache Weise aus: erst durch sie ist es möglich, das vorhandene Innovations- und Talentpotenzial voll auszuschöpfen. Zudem wirken sich divers zusammengesetzte Arbeitsgruppen aufgrund der Vielfalt der Perspektiven, Erfahrungen und Fähigkeiten ihrer Mitglieder positiv auf die Qualität der Forschung aus und erbringen somit einen beträchtlichen Mehrwert. Die Ziele der Chancengleichheitsarbeit der DFG ein ausgewogenes Verhältnis der Geschlechter im Wissenschaftssystem und die Vereinbarkeit von Familie und wissenschaftlicher Karriere dienen somit nicht nur der Förderung von Vielfalt und Chancengleichheit im Wissenschaftssystem. Sie fördern auch die Attraktivität des Wissenschaftsstandortes Deutschlands, insbesondere für den hoch qualifizierten wissenschaftlichen Nachwuchs. ChiP 10:50 11:15 51

54 ChiP Dr. Christine Anders Evonik Technology and Infrastructure GmbH christine.anders [at] evonik.com Diplom-Chemie-Studium an der Ruprecht-Carls-Universität in Heidelberg Dissertation und Diplomarbeit am Max-Planck-Institut für medizinische Forschung in Heidelberg bei H.A.Staab HÜLS AG Laborleiterin Forschung & Entwicklung Leiterin eines Controlling-Referats in einer Business Line Global Key Account Managerin für Pirelli S.p.A Produktmanagerin für eine Product Line Degussa AG, Frankfurt/Main, BU Füllstoffe und Pigmente Leiterin strategisches Marketing für eine Product Line Evonik Degussa GmbH, Frankfurt/Main, BU Füllstoffe und Pigmente Vertriebsleiterin für eine Product Line Evonik International Sales AG, Zürich Leiterin Strategisches Account Management Evonik Industries, Corp. Center Environment & Responsibility, Essen Leiterin Corporate Responsibility seit 2013 Evonik Technology and Infrastructure GmbH, Hanau, Marl, Process Technology and Engineering Abteilungsleiterin Verfahrenstechnik Production and Business Solutions ChiP 52 11:30 11:50

55 ChiP Prof. Dorothea Fiedler Leibniz-Institut für Molekulare Pharmakologie (FMP) Berlin, Robert-Rössle-Straße 10 fiedler [at] fmp-berlin.de Studienstiftung des Deutschen Volkes Bayer AG Fellowship 2001 Diplom in Chemistry, Universität Würzburg bei H. Werner und J Arnold Graduate Student, University of California at Berkeley 2005 Young Investigator Award (ACS Inorganic Division) 2005 Promotion in Chemie, University of California at Berkeley bei K.N. Raymond und R. G. Bergman Postdoctoral Fellow, University of California at San Francisco Fastrack Program Robert Bosch Stiftung Schering Stiftung Postdoctoral Fellowship NIH Pathway to Independence Award Assistant Professor, Princeton University 2012 Thieme Chemistry Journals Award 2013 NIH Director s New Innovator Award 2013 Rita Allen Scholar Award 2013 Kimmel Scholar Award seit 2015 Professor, Leibniz Institut für Molekular Pharmakologie und Humboldt-Universität zu Berlin Familie und Forschung in Deutschland und Amerika Frau Prof. Fiedler wird in ihrem Vortrag über ihre wissenschaftliche Laufbahn in den USA und Deutschland berichten. Dabei wird sie auf Höhen und Tiefen ihres Karriereweges in beiden Ländern eingehen. Außerdem wird sie ihre Erfahrungen teilen, wie parallel dazu ein Start ins Familienleben als Professorin möglich ist. ChiP 11:50 12:10 53

56 ChiP Sonja Jost DexLeChem Von der Forschung zur Gründung - wie man sich durch Startups seine eigene Karriere schaffen kann Startups im Chemiebereich haben sich als adäquates Mittel erwiesen, um Chancengleichheit zwischen den Geschlechtern auch im Chemiebereich erreichen zu können. Bereits heute werden ca. 40% aller Chemie-Startups von Frauen mit gegründet. DexLeChem Geschätfsführerin Jost wird berichten, welche Vorteile es bringt so eine Führungsposition von Anfang an einzunehmen und welche alten Strukturen (und gläserne Decken ) damit leicht umgangen werden können. ChiP 54 12:10 12:30

57 ChiP Dr. Anette Brüne Head of Strategic Business Development ALTANA Group Diplom-Chemiestudium an der Philipps-Universität, Marburg Wissenschaftliche Mitarbeiterin der Philipps-Universität, Marburg Promotion in 11/1991 in Polymerchemie Th. Goldschmidt AG, Essen: Laborleiterin F&E und Anwendungstechnik Hüls AG / Degussa-Hüls AG, Marl Leiterin Marketing des Geschäftsbereiches Neue Entwicklungen/Creavis Managerin Konzernentwicklung, Abteilung Strategien Stinnes AG, Mülheim/Ruhr Managerin Corporate Development/M&A ALTANA AG, Wesel Managerin Corporate Development/M&A seit 01/2011 BYK-Chemie GmbH, Wesel Leiterin Strategische Geschäftsentwicklung seit 2013 Mitglied des Aufsichtsrats der ALTANA AG als Vertreterin der Leitenden Angestellten Kind und Karriere, ein Erfahrungsbericht Kind UND Karriere ist möglich! Erfolgsstrategien und Empfehlungen für ein Lebenskonzept mit einem hohen Maß an Selbstverwirklichung! Dr. Anette Brüne, Leiterin der Strategischen Geschäftsentwicklung der BYK-Chemie, ein Unternehmensteil der ALTANA, wird ihren beruflichen Karriereweg in der chemischen Industrie vorstellen. Dabei wird sie insbesondere ihre persönlichen Erkenntnisse teilen, wie es möglich ist, auch als Mutter beruflich erfolgreich zu sein. Sie wird auch zeigen, wie sie mit Gleichgesinnten eine Initiative für mehr Frauen in Führungspositionen bei ALTANA (LEADING WOMEN@ALTANA) ins Leben gerufen hat und welche Erfolge dadurch erzielt wurden. ChiP 14:00 14:25 55

58 ChiP Prof. Axel Jacobi von Wangelin Universität Regensburg geboren 1974, Berlin Abitur Heinrich-Hertz-Gymnasium, Berlin-Friedrichshain Studium Chemie, Universität Erlangen-Nürnberg und University of Utah/USA Promotion Leibniz Institut für Katalyse, Rostock Postdocs Degussa AG Frankfurt, Cardiff University/UK, Stanford University/USA Nachwuchsgruppenleiter, Universität zu Köln 2010 Geburt unseres Sohnes seit 2011 Professor für Organische Chemie, Universität Regensburg 2013 Geburt unserer Tochter seit 2015 wohnhaft in Leipzig und Berufspendler Kinder während der akademischen Karriere? Eine Kosten-Nutzen-Rechnung! Unter diesem nicht ganz ernst gemeinten Titel möchte der Vortrag einen sehr persönlichen Einblick geben, wie sich zwei halbjährige Elternzeiten und mehrjährige Kindererziehung auf das Arbeitsleben des Vortragenden ausgewirkt haben. Worauf muss man verzichten? Was sagen die Kollegen? Wie bleibe ich dennoch am Ball? Rückblickend ist es vor allem der äußere Zwang und eigene Mut zur Veränderung, der der Karriere neue Impulse verleihen kann. Das Resume fällt durchaus positiv aus: Kinder und Karriere sind gut möglich; umso mehr, wenn man den Spielplatz Universität für sich zu nutzen weiss. Es mag nicht immer viel geboten werden, aber es gibt viel zu holen und zu gewinnen. ChiP 56 14:25 14:50