TY - JOUR A1 - Koch, Andreas A1 - Kleinpeter, Erich T1 - Restricted rotation about particial C, N Double Bond Y1 - 1997 ER - TY - JOUR A1 - Kleinpeter, Erich T1 - The Structure of hydantions in solution and in the solid state Y1 - 1997 ER - TY - JOUR A1 - Kleinpeter, Erich A1 - Heydenreich, Matthias A1 - Kalder, L. A1 - Koch, Andreas A1 - Henning, Dietrich A1 - Kempter, Gerhard A1 - Benassi, Rois A1 - Taddei, F. T1 - NMR spectroscopic and theoretical structural analysis of 5,5-disubstituted hydantoins in solution Y1 - 1997 ER - TY - JOUR A1 - Banße, Wolfgang A1 - Fliegner, Jana Ute A1 - Hennig, H. A1 - Lehmann, Andreas A1 - Uhlemann, Erhard A1 - Tschwatschal, F. T1 - Ligand exchange reactions of molybdenum hexacarbonyl with tridentate diacidic ligands Y1 - 1997 ER - TY - JOUR A1 - Berth, Gisela A1 - Dautzenberg, Herbert A1 - Peter, Martin G. T1 - Physica-chemical characterization of chitosans in dilute solution Y1 - 1998 SN - 2-907922-57-2 ER - TY - JOUR A1 - Yenesew, Abiy A1 - Midiwo, Jacob O. A1 - Meisner, M. A1 - Heydenreich, Matthias A1 - Peter, Martin G. T1 - Two prenylated flavanones from stem bark of erythrina burttii Y1 - 1998 ER - TY - JOUR A1 - Yenesew, Abiy A1 - Midiwo, Jacob O. A1 - Heydenreich, Matthias A1 - Peter, Martin G. T1 - Four isoflavanones from stem bark of erythrina sacleuxii Y1 - 1998 ER - TY - JOUR A1 - Koetz, Joachim A1 - Plantenberg, Thomas T1 - Self-assembled polyanion-polycation systems Y1 - 1998 SN - 0-9585708-1-7 ER - TY - JOUR A1 - Berth, Gisela A1 - Dautzenberg, Herbert A1 - Peter, Martin G. T1 - Physico-chemical characterization of chitosans varying in degree of acetylation Y1 - 1998 SN - 0144-8617 ER - TY - JOUR A1 - Struszczyk, Marcin Henryk A1 - Loth, Fritz A1 - Köhler, L. A. A1 - Peter, Martin G. T1 - Characterization of chitosan Y1 - 1998 ER - TY - JOUR A1 - Struszczyk, Marcin Henryk A1 - Loth, Fritz A1 - Peter, Martin G. T1 - Analysis of deacetylation deree in chitosans from various sources Y1 - 1998 ER - TY - JOUR A1 - Friedrich, Alwin A1 - Hefele, Heike A1 - Mickler, Wulfhard A1 - Mönner, Anke A1 - Uhlemann, Erhard A1 - Scholz, F. T1 - Voltammetric and potentiometric studies on the stability of vanadium(IV) complexes : a comparision of sulution phase voltammetry with the voltammetry of the microcrystalline solid compounds Y1 - 1998 ER - TY - THES A1 - Wu, Yuling T1 - Syntheses of defined carbohydrate surfactants and determination of their wetting behaviour under equilibrium and dynamic conditions Y1 - 1998 ER - TY - JOUR A1 - Mickler, Wulfhard A1 - Mönner, Anke A1 - Uhlemann, Erhard T1 - Electrochemical studies on the stability of copper ß-diketone chelates Y1 - 1998 ER - TY - JOUR A1 - Struszczyk, Marcin Henryk A1 - Loth, Fritz A1 - Peter, Martin G. T1 - Calibration of methods for the determination of the degree of decatetylation of chitosan Y1 - 1998 ER - TY - JOUR A1 - Mickler, Wulfhard A1 - Reich, Annett A1 - Uhlemann, Erhard T1 - Extraction of iron (II) and iron (III) with 4-acylpyrazolones in comparision with long chain 1-phenyl-1,3- (cyclo)alkanediones Y1 - 1998 ER - TY - JOUR A1 - Cierpiszewski, Ryszard A1 - Rusinska-Roszak, D. A1 - Szymanowski, Jan A1 - Mickler, Wulfhard A1 - Uhlemann, Erhard T1 - Rate of coper extraction and structure of model ß-diketones and 4-acyl-5-pyrazolones Y1 - 1998 ER - TY - JOUR A1 - Koetz, Joachim A1 - Kosmella, Sabine T1 - Polyelectrolyte complex formation with chitosan Y1 - 1998 ER - TY - JOUR A1 - Kosmella, Sabine A1 - Koetz, Joachim A1 - Shirahama, K. A1 - Liu, J. T1 - The cooperative nature of complex formation in mixed polyelectrolyte-surfactant systems Y1 - 1998 ER - TY - JOUR A1 - Streffer, Katrin A1 - Kaatz, Helvi A1 - Bauer, Christian G. A1 - Makower, Alexander A1 - Schulmeister, Thomas A1 - Scheller, Frieder W. A1 - Peter, Martin G. A1 - Wollenberger, Ursula T1 - Application of a sensitive catechol detector for determination of tyrosinase inhibitors Y1 - 1998 ER - TY - JOUR A1 - Alarcon, Julio A1 - Alderete, Joel B. A1 - Peter, Martin G. A1 - Becerra, Juan J. A1 - Silva, M. T1 - Study on synthesis of 3 alpha,4 alpha-dihydroxy-dihydro-beta-agarofuran Y1 - 1998 ER - TY - JOUR A1 - Mahapatra, Susanta A1 - Vetter, Reinhard A1 - Zuhrt, Christian A1 - Nguyen, Huu Tong A1 - Ritschel, Thomas A1 - Zülicke, Lutz T1 - Ground state potential energy surface, 3D time-dependent intramolecular dynamics and vibrational states of the N2H+ molecular ion Y1 - 1998 ER - TY - JOUR A1 - Kallies, Bernd A1 - Mitzner, Rolf T1 - Models of water-assisted hydrolyses of methyl formate, formamide, and urea from combined DFT-SCRF calculations N2 - In this work we present theoretical studies of the hydrolytic reaction of methyl formate, formamide and urea with one water molecule. The studied systems contain two additional water molecules which can act as bifunctional acid- base catalysts. These water molecules catalyze proton transfers between the primary reacting species. Our models describe the concerted transfer of two protons in every reaction step. The calculations have been carried out with the Becke3LYP/6-31G* method. Unspecific solvation effects have been included by means of a polarizable continuum model. Substrate reactivity differences as well as preferences for different reaction pathways can be discussed with the aid of these molecular systems. The studied alternative mechanisms include the common addition-elimination mechanism via a tetrahedral intermediate, and a concerted SN-like mechanism without a reaction intermediate. Our results suggest that the proved decreasing substrate reactivity in the order ester, amide, urea is caused by a rising resonance stabilization of the reaction centre, and not by a different positive partial charge of the carbonyl carbon. It is also concluded, that the probability of a concerted addition of a nucleophile and elimination of a leaving group without a tetrahedral intermediate rises in the order ester, amide, urea. The ordering of reactivity is not influenced by this behaviour. Y1 - 1998 ER - TY - JOUR A1 - Beitz, Toralf A1 - Bechmann, Wolfgang A1 - Mitzner, Rolf T1 - Investigations of reactions of selected Azaarenes with radicals in water, 2. Chlorine and Bromine radicals Y1 - 1998 ER - TY - JOUR A1 - Kallies, Bernd A1 - Mitzner, Rolf T1 - Structural Properties of Protonated Acyl Derivatives as Studied by Quantum Mechanics N2 - Basicities of 16 acyl compounds including selected aldehydes, ketones, esters, amides and ureas in the gas phase and in water were calculated with the Becke3LYP/6-31G* method. Solvent effects were modeled using a polarizable electrostatic continuum representation of the solvent. The properties of the electron densities of protonated molecules were described by localized bond orbitals. Our results suggest that the carbonyl oxygen is the preferred site of protonation for all molecules studied. Calculated pKa values in water range from -12 for aldehydes to + 1.5 for ureas. They agree well with published experimental data. We found that a high basicity of acyl compounds at the carbonyl oxygen is coupled with a large amount of additional resonance stabilization at the carbonyl group. The protonation of the leaving group of eaters, amides and ureas is less preferred, but the basicity difference between C=O and -OR or -NR2 decreases from esters to ureas. Calculated pKa values for this site range from -18 for esters to + 3 for ureas. These values are often not accessible by experiment. The structure of carboxylic acid derivatives protonated at the leaving group is determined by prefragmentation of the molecules into an acylium ion or positively charged isocyanate and an alcohol or amine. (C) 1998 Elsevier Science B.V. Y1 - 1998 ER - TY - JOUR A1 - Beitz, Toralf A1 - Bechmann, Wolfgang A1 - Mitzner, Rolf T1 - Investigations of reactions of selected Azaarenes with radicals in water, 1. Hydroxyl and sulfate radicals Y1 - 1998 ER - TY - JOUR A1 - Benassi, Rois A1 - Bregulla, Antje A1 - Friedrich, Alwin A1 - Henning, Dietrich A1 - Heydenreich, Matthias A1 - Mickler, Wulfhard A1 - Kleinpeter, Erich A1 - Kempter, Gerhard A1 - Schilde, Uwe A1 - Taddei, F. T1 - NMR spectroscopic and theoretical structural study of 5-exo-methylene-substituted hydantoins Y1 - 1998 ER - TY - JOUR A1 - Reiche, K. B. A1 - Starke, Ines A1 - Kleinpeter, Erich A1 - Holdt, Hans-Jürgen T1 - Host-guest complexation of imine-type meta-bridged bis(benzo crown ether)s with alkali cations in the gas phase under FAB conditions Y1 - 1998 ER - TY - JOUR A1 - Kleinpeter, Erich A1 - Heydenreich, Matthias A1 - Woller, Jochen A1 - Wolf, Gunter A1 - Koch, Andreas A1 - Kempter, Gerhard A1 - Pihlaja, Kalevi T1 - Configuration and stereodynamics of exo/endoisomeric push-pull alkenes of pentadiene structure Y1 - 1998 ER - TY - JOUR A1 - Hilfert, Liane A1 - Sarodnick, Gerhard A1 - Kempter, Gerhard A1 - Kleinpeter, Erich T1 - 1H, 13C and 15 N NMR study and molecular modelling of 2,3- disubstituted quinoxalines with sterically hinderered aromatic and heteroaromatic substituents Y1 - 1998 ER - TY - JOUR A1 - Kleinpeter, Erich T1 - Conformational analysis of saturated six-membered oxygen-containing heterocyclic rings Y1 - 1998 ER - TY - JOUR A1 - Heydenreich, Matthias A1 - Koch, Andreas A1 - Ristau, Thomas A1 - Knoll, Susanne A1 - Heinicke, Jochen A1 - Sieler, Joachim A1 - Niemitz, Matthias A1 - Mühlstädt, Manfred A1 - Kleinpeter, Erich T1 - Conformational analysis of sulfur-containing heterocycles ; part I: synthesis and structural determination of diastereomerically pure 4,6-bis(phenoxymethyl)-1,2,5-trithiepanes Y1 - 1998 ER - TY - JOUR A1 - Bechthold, Nina A1 - Tiersch, Brigitte A1 - Koetz, Joachim A1 - Friberg, Stig E. T1 - Structure Formation in polymer-modified liquid crystals Y1 - 1999 ER - TY - JOUR A1 - Koetz, Joachim A1 - Beitz, Toralf A1 - Tiersch, Brigitte T1 - Self assembled polymer-surfactant systems Y1 - 1999 ER - TY - JOUR A1 - Rottmann, Antje A1 - Synstad, Bjoenar A1 - Eijsink, Vincent G. H. A1 - Peter, Martin G. T1 - Synthesis of N-acetylglucosaminyl and diacetylchitobiosyl amides of heterocyclic carboxylic acids as potential chitinase inhibitors Y1 - 1999 ER - TY - JOUR A1 - Struszczyk, Marcin Henryk A1 - Halweg, R. A1 - Peter, Martin G. T1 - Comparative analysis of chitosans from insects and crustacea Y1 - 1999 SN - 3-9806494-5-8 ER - TY - JOUR A1 - Letzel, Matthias C. A1 - Synstad, Bjoenar A1 - Eijsink, Vincent G. H. A1 - Peter-Katalinic, Jasna A1 - Peter, Martin G. T1 - Libraries of chito-oligosaccharides of mixed acetylation patterns and their interactions with chitinases Y1 - 1999 SN - 3-9806494-5-8 ER - TY - JOUR A1 - Koetz, Joachim A1 - Kosmella, Sabine T1 - Polymers in lyotropic liquid crystals Y1 - 1999 ER - TY - JOUR A1 - Koetz, Joachim T1 - Interactions between charged colloids and polyelectrolytes (invited lecture) Y1 - 1999 SN - 0-89852- 748-1 ER - TY - JOUR A1 - Struszczyk, Marcin Henryk A1 - Loth, Fritz A1 - Peter, Martin G. T1 - Preparation of paper sheets containing microcrystalline chitosan Y1 - 1999 SN - 3-9806494-5-8 ER - TY - JOUR A1 - Struszczyk, Marcin Henryk A1 - Loth, Fritz A1 - Peter, Martin G. T1 - Method of microcrystalline chitosan-protein films preparation Y1 - 1999 ER - TY - JOUR A1 - Mickler, Wulfhard T1 - Reactive Liquid-Liquid-Extraction of heavy metals from Landfill Leachate Y1 - 1999 SN - 3-924763-80-1 ER - TY - JOUR A1 - Mickler, Wulfhard A1 - Mönner, Anke A1 - Uhlemann, Erhard A1 - Wilke, S. A1 - Müller, H. T1 - Transfer of ß-diketone and 4-acylpyrazolone anions across the electrified water nitrobenzene interface Y1 - 1999 ER - TY - JOUR A1 - Zuhrt, Christian A1 - Neumann, Rainer A1 - Zülicke, Lutz T1 - Investigation of vibrational states of the ArHCl+ cation in the electronic ground state Y1 - 1999 ER - TY - JOUR A1 - Kaatz, Helvi A1 - Streffer, Katrin A1 - Wollenberger, Ursula A1 - Peter, Martin G. T1 - Inhibition of mushroom tyrosinase by kojic acid octanoates Y1 - 1999 ER - TY - THES A1 - Netz, Roland R. T1 - Field-theoretic approaches to clasical charged systems Y1 - 1999 ER - TY - JOUR A1 - Kosmella, Sabine A1 - Koetz, Joachim A1 - Shirahama, K. T1 - Binding of dodecylpyridinium chloride to anionic co-polymers and their complexes Y1 - 1999 ER - TY - JOUR A1 - Beitz, Toralf A1 - Koetz, Joachim A1 - Friberg, Stig E. T1 - Polymer-modified ionic microemulsion formed in the system SDS/Water/Xylene/Pentanol Y1 - 1999 ER - TY - JOUR A1 - Beyermann, Jochen A1 - Koetz, Joachim A1 - Jäger, Werner A1 - Friberg, Stig E. T1 - Influence of charge density of anionic polyelectrolytes on structure formation in liquid crystalline systems Y1 - 1999 ER - TY - JOUR A1 - Kamlage, Stefan A1 - Sefkow, Michael A1 - Peter, Martin G. T1 - Cross coupling of benzylic bromides and vinyl stannanes Y1 - 1999 ER -