@article{KobersteinHajdaDickinson1996, author = {Koberstein-Hajda, Antje and Dickinson, Eric}, title = {Stability of water-in-oil-in-water emulsions containing faba bean products}, year = {1996}, language = {en} } @article{KroeschePeter1996, author = {Kr{\"o}sche, Ch. and Peter, Martin G.}, title = {Detection of melanochromes by MALDI-TOF mass spectrometry}, year = {1996}, language = {en} } @article{LeyPeter1996, author = {Ley, J. P. and Peter, Martin G.}, title = {Synthesis of L-histidine and (-)-spinacine chitooligosyl amides}, year = {1996}, language = {en} } @article{SoyezThraen1996, author = {Soyez, Konrad and Thr{\"a}n, Daniela}, title = {The german federal research programme on waste management}, year = {1996}, language = {en} } @article{Schwenke1996, author = {Schwenke, Klaus Dieter}, title = {Increased anionic charge : confor mational and functional properties}, year = {1996}, language = {en} } @article{KrauseMothesSchwenke1996, author = {Krause, Jens-Peter and Mothes, Ralf and Schwenke, Klaus Dieter}, title = {Some physicochemical and interfacial properties of native and acetylated legumin from faba beans (Vicia Faba L.)}, year = {1996}, language = {en} } @article{KrauseBuchheimSchwenke1996, author = {Krause, Jens-Peter and Buchheim, Wolfgang and Schwenke, Klaus Dieter}, title = {Ultrastructure of dense-packed oil-in- water emulsions stabilized by globular proteins from faba beans}, year = {1996}, language = {en} } @article{RagnettiZuhrtZuelicke1996, author = {Ragnetti, Francesca and Zuhrt, Christian and Z{\"u}licke, Lutz}, title = {Intramolecular dynamics of the cationic argon trimer}, year = {1996}, language = {en} } @article{DudeckHorstmannSchwenke1996, author = {Dudeck, Steffi and Horstmann, Christian and Schwenke, Klaus Dieter}, title = {Limited tryptic hydrolysis of legumin from faba bean (Vicia faba) : formation of an unequal subunit pattern}, year = {1996}, language = {en} } @article{Koetz1996, author = {Koetz, Joachim}, title = {Polyelectrolyte complexes}, year = {1996}, language = {en} } @article{KrauseSchwenke1996, author = {Krause, Jens-Peter and Schwenke, Klaus Dieter}, title = {Relationship between adsorption and emulsifying properties of acetylated protein isolates from faba beans (Vicia faba L.)}, year = {1996}, language = {en} } @article{SchildePoleschner1996, author = {Schilde, Uwe and Poleschner, Helmut}, title = {The first structure of a vicinal (E)-Fluoroselenoolefin: (E)-(5-Fluoro-4-octen-4-yl)dimethylselenonium Picrate}, year = {1996}, language = {en} } @article{LondershausenTurbergBieseleretal.1996, author = {Londershausen, M. and Turberg, Andreas and Bieseler, Barbara and Lennarz, M. and Peter, Martin G.}, title = {Characterization and Inhibitor Studies of Chitinases from Parasitic Blowfly (Lucilia cuprina), Tick (Boophilus micoplus), Intestinale Nematode (Haemonchus contortus), and a Bean (Phaseolus vulgaris)}, year = {1996}, language = {en} } @article{LondershausenTurbergSpindlerBarthetal.1996, author = {Londershausen, M. and Turberg, Andreas and Spindler-Barth, Margarethe and Peter, Martin G.}, title = {Screening Test for Insecticides Interfering with Cuticular Sclerotization}, year = {1996}, language = {en} } @article{KoetzKosmellaBruehl1996, author = {Koetz, Joachim and Kosmella, Sabine and Br{\"u}hl, Iris}, title = {Self-assembly of liquid crystalline lamellar surfactant-polyelectrolyte systems}, year = {1996}, language = {en} } @article{JaniakScharmannGreenetal.1996, author = {Janiak, Chr. and Scharmann, T. G. and Green, J. C. and Parkin, R. P. G. and Kolm, M. J. and Riedel, E. and Mickler, Wulfhard and Elguero, J. and Claramunt, R. M. and Sanz, D.}, title = {Effects of nitrogen substitution in Poly(pyrazolyl)borato Ligands : from orbital energy levels to C-H...O Hydrogen Bonding}, year = {1996}, language = {en} } @article{MahapatraZuhrtVetteretal.1996, author = {Mahapatra, Susanta and Zuhrt, Christian and Vetter, Reinhard and Nguyen, Huu Tong and Ritschel, Thomas and Z{\"u}licke, Lutz}, title = {Spectroscopy and intramalocular dynamics of collinear N2H+ on a new potential energy surface}, series = {Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam}, volume = {1996, 03}, journal = {Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam}, publisher = {Univ.}, address = {Potsdam}, pages = {28, [8] S. : graph. Darst.}, year = {1996}, language = {en} } @article{UhlemannSchildeMickler1996, author = {Uhlemann, Erhard and Schilde, Uwe and Mickler, Wulfhard}, title = {Crystal structure of bis(1-phenyldecane-1,3-dionato)-copper(II), Cu(C16H21O2)2}, issn = {0044-2968}, year = {1996}, language = {en} } @article{KleinpeterStroehlPeinzeetal.1996, author = {Kleinpeter, Erich and Str{\"o}hl, D. and Peinze, S. and Brandt, W. and Schmidt, R. and Neubert, K.}, title = {The solution conformation of cyclic ß-casomorphine-5 analogues}, year = {1996}, language = {en} } @article{PihlajaLehmannSchrothetal.1996, author = {Pihlaja, Kalevi and Lehmann, S. and Schroth, W. and G{\"a}ber, M. and Kleinpeter, Erich}, title = {Electron impact induced fragmentation of dibenzo crown ethers}, year = {1996}, language = {en} } @article{Kleinpeter1996, author = {Kleinpeter, Erich}, title = {The structure of hydantoins in solution and in the solid state}, year = {1996}, language = {en} } @article{KleinpeterStarkeStroehletal.1996, author = {Kleinpeter, Erich and Starke, Ines and Str{\"o}hl, D. and Holdt, Hans-J{\"u}rgen}, title = {NMR spectroscopic study of the solution structure and complexational behaviour of bis-benzocrown ethers}, year = {1996}, language = {en} } @article{KoetzBruehlKosmellaetal.1997, author = {Koetz, Joachim and Br{\"u}hl, Iris and Kosmella, Sabine and Reiche, J{\"u}rgen and Tiersch, Brigitte}, title = {Polyelectrolyte Complex Formation in Lamellar Liquid Crystalline Systems}, year = {1997}, abstract = {The influence of polyelectrolytes on structure formation in liquid crystalline Na-dodecylsulfate/decanol/water systems was investigated by means of small angle X-ray diffraction, rheology, NMR spectroscopy, and microscopy. By adding Na-polyacrylate (PAA) into the mesophase, the one-phase region is left and phenomena of phase separation into a solvent-rich and a polymer/surfactantrich phase occurs. By incoporating an anionic and cationic polyelectrolyte step by step the tendency of phase separation is increased drastically. The self-organization process can be regulated directly by varying the water content of the system. However, at a water content of 30\% the properties of the resulting liquid crystal were changed drastically. X-ray diffraction shows a multitude of Bragg peaks, NMR shows a peak-splitting, and rheology shows a change from non-Newtonian to Newtonian-flow behavior. On the basis of the experimental results an ordered multilayer associate structure can be assumed.}, language = {en} } @article{TierschKoetzHartmann1997, author = {Tiersch, Brigitte and Koetz, Joachim and Hartmann, J{\"u}rgen}, title = {Structural Analysis of the influence of polymers on lyotropic liquid-crystal systems}, year = {1997}, language = {en} } @article{PeterWollenberger1997, author = {Peter, Martin G. and Wollenberger, Ursula}, title = {Phenol-oxidizing enzymes : mechanisms and applications}, year = {1997}, language = {en} } @article{KoetzBeitz1997, author = {Koetz, Joachim and Beitz, Toralf}, title = {The phase behaviour of polyanion-polycation systems}, year = {1997}, language = {en} } @article{RuppeltKoetzJaegeretal.1997, author = {Ruppelt, Dirk and Koetz, Joachim and Jaeger, Werner and Friberg, Stig E. and Mackay, R. A.}, title = {The influence of cationic polyelectrolytes on structure formation in lamellar liquid crystalline systems}, year = {1997}, language = {en} } @article{SchildeMicklerUhlemann1997, author = {Schilde, Uwe and Mickler, Wulfhard and Uhlemann, Erhard}, title = {Crystal structure of bis(1-phenyl-5-cyclohexyl-pentane-1,3-dionato-copper(II)}, issn = {0044-2968}, year = {1997}, language = {en} } @article{MicklerMoennerHefeleetal.1997, author = {Mickler, Wulfhard and M{\"o}nner, Anke and Hefele, Heike and Ludwig, Eberhard and Uhlemann, Erhard}, title = {Voltammetric studies of non-oxo Vanadium (IV)-chelates}, year = {1997}, language = {en} } @article{HaebelPeterKatalinicPeter1997, author = {Haebel, Sophie and Peter-Katalinic, Jasna and Peter, Martin G.}, title = {Mass spectrometry of chitooligosaccharides}, isbn = {88-86889- 01-1}, year = {1997}, language = {en} } @article{ZuelickeRagnettiNeumann1997, author = {Z{\"u}licke, Lutz and Ragnetti, Francesca and Neumann, Rainer}, title = {Ionized Van-der-Waals systems : structure and interactions}, year = {1997}, language = {en} } @article{PoleschnerHeydenreich1997, author = {Poleschner, Helmut and Heydenreich, Matthias}, title = {1H and 13C NMR Spectra and One-Bond 13C,13C Coupling Constants of 2-Alken-4-yn-1-ols, (E)-2-Alken-4-yn-1-yl Acetates and (E)-2-Alken-4-yn-1-als}, year = {1997}, language = {en} } @article{MahapatraVetterZuhrtetal.1997, author = {Mahapatra, Susanta and Vetter, Reinhard and Zuhrt, Christian and Nguyen, Huu Tong and Ritschel, Thomas and Z{\"u}licke, Lutz}, title = {Bound states and time-dependent dynamics of the N2H+ molecular ion in its ground electronic state. I. 2D treatment}, year = {1997}, language = {en} } @article{GianturcoKumarVetteretal.1997, author = {Gianturco, Franco A. and Kumar, Sanjay and Vetter, Reinhard and Ritschel, Thomas and Z{\"u}licke, Lutz}, title = {Interaction anisotropy and vibrational excitation in proton scattering from N2(1sigma g+)}, year = {1997}, language = {en} } @article{StoeckleinWarsinkeMicheeletal.1997, author = {St{\"o}cklein, Walter F. M. and Warsinke, Axel and Micheel, Burkhard and H{\"o}hne, Wolfgang and Woller, Jochen and Kempter, Gerhard and Scheller, Frieder W.}, title = {Detection of diphenylurea derivatives with biospecific interaction analysis (BIA) : Kinetic investigations}, year = {1997}, language = {en} } @article{RatajskaStruszczykBoryniecetal.1997, author = {Ratajska, M. and Struszczyk, Marcin Henryk and Boryniec, Stefan and Peter, Martin G. and Loth, Fritz}, title = {The degree of acetylation of chitosan : optimization of the IR Method}, year = {1997}, language = {en} } @article{LeySchweikartPeter1997, author = {Ley, J. P. and Schweikart, F. and Peter, Martin G.}, title = {Chitinase inhibitors}, year = {1997}, language = {en} } @article{StruszczykRatajskaBoryniecetal.1997, author = {Struszczyk, Marcin Henryk and Ratajska, M. and Boryniec, Stefan and Peter, Martin G. and Loth, Fritz}, title = {The determination of the degree of N-acetylation of chitosan}, year = {1997}, language = {en} } @article{Koetz1997, author = {Koetz, Joachim}, title = {Self-assembled polymer-surfactant systems}, year = {1997}, language = {en} } @article{KoetzKosmella1997, author = {Koetz, Joachim and Kosmella, Sabine}, title = {Polymers in lyotropic liquid crystalline systems}, issn = {0927-7757}, year = {1997}, language = {en} } @article{ChapuisatSaintEspesZuhrtetal.1997, author = {Chapuisat, Xavier and Saint-Esp{\´e}s, C{\´e}cile and Zuhrt, Christian and Z{\"u}licke, Lutz}, title = {A weak-mode representation of floppy molecules. IV. Spectroscopic states of model HCN and CNH}, year = {1997}, language = {en} } @article{KalliesKochMitzner1997, author = {Kallies, Bernd and Koch, Andreas and Mitzner, Rolf}, title = {Competitive resonance at the carbonyl group as visualized by the natural bond orbital analysis}, year = {1997}, language = {en} } @article{SchanzenbachMaternPeter1997, author = {Schanzenbach, Dirk and Matern, Christa-Maria and Peter, Martin G.}, title = {Cleavage of chitin by means of sulfurice acid/acetc anhydride and isolation of peracetylated chito- oligosaccharides}, year = {1997}, language = {en} } @article{SchanzenbachPeter1997, author = {Schanzenbach, Dirk and Peter, Martin G.}, title = {NMR spectroscopy of chito-oligosaccharides}, year = {1997}, language = {en} } @article{SchanzenbachMaternPeter1997, author = {Schanzenbach, Dirk and Matern, Christa-Maria and Peter, Martin G.}, title = {Synthesis of glycosylamines and glycopeptides}, year = {1997}, language = {en} } @article{SchanzenbachPeter1997, author = {Schanzenbach, Dirk and Peter, Martin G.}, title = {Chromatography of chito-oligosaccarides}, year = {1997}, language = {en} } @article{KochThomasKleinpeter1997, author = {Koch, Andreas and Thomas, Steffen and Kleinpeter, Erich}, title = {Ab-initio study, semi-empirical calculation and NMR spectroscopy of keto-enol tautomerism of triazolopyrimidines}, year = {1997}, language = {en} } @article{KleinpeterHeydenreichKalderetal.1997, author = {Kleinpeter, Erich and Heydenreich, Matthias and Kalder, L. and Koch, Andreas and Henning, Dietrich and Kempter, Gerhard}, title = {NMR spectroscopic and theoretical structural analysis of 5,5-disubstituted hydantoins in solution}, year = {1997}, language = {en} } @article{KleinpeterStarkeStroehletal.1997, author = {Kleinpeter, Erich and Starke, Ines and Str{\"o}hl, D. and Holdt, Hans-J{\"u}rgen}, title = {NMR spectroscopic study of the solution structure and complexational behaviour of bis-benzocrown ethers}, year = {1997}, language = {en} } @article{HeydenreichKochKleinpeteretal.1997, author = {Heydenreich, Matthias and Koch, Andreas and Kleinpeter, Erich and Zimmermann, Thomas}, title = {Dynamic NMR study of the flexibility of 2-amino-3-aroyl-4,6-diaryl-pyrylium salts}, issn = {0937-0633}, doi = {10.1007/s002160050205}, year = {1997}, language = {en} } @article{KleinpeterKochFischeretal.1997, author = {Kleinpeter, Erich and Koch, Andreas and Fischer, G. and Askolin, C.-P.}, title = {13 C NMR, 15 N NMR and quantum-chemical study of the tautomerism of 2-substituted 5-ME-7-OH-1,2,4-triazolo[1,5- a]pyrimidines}, year = {1997}, language = {en} } @article{GrotjahnDrexlerJaegeretal.1997, author = {Grotjahn, Manuela and Drexler, Hans-Joachim and J{\"a}ger, Norbert and Kleinpeter, Erich and Holdt, Hans-J{\"u}rgen}, title = {Molecular dynamic and conformational study of an unsaturated 12-crown-S202 ether and its AgI complexes}, year = {1997}, language = {en} } @article{SarodnickHilfertKempteretal.1997, author = {Sarodnick, Gerhard and Hilfert, Liane and Kempter, Gerhard and Kleinpeter, Erich}, title = {Reactin of 2-(halogenomethyl)-quinoxalines and quinolines with hydroxybenzoic acids and their esters}, year = {1997}, language = {en} } @article{ThomasBruehlHeilmannetal.1997, author = {Thomas, Steffen and Br{\"u}hl, Iris and Heilmann, Dieter and Kleinpeter, Erich}, title = {13 C NMR Chemical shift calculations for some substituted pyridines - a comparative consideration}, year = {1997}, language = {en} } @article{KochKleinpeter1997, author = {Koch, Andreas and Kleinpeter, Erich}, title = {Study of the tautomerism by experimentally and theoretically estimated 13C and 15N chemical shifts}, year = {1997}, language = {en} } @article{KochKleinpeter1997, author = {Koch, Andreas and Kleinpeter, Erich}, title = {Restricted rotation about particial C, N Double Bond}, year = {1997}, language = {en} } @article{Kleinpeter1997, author = {Kleinpeter, Erich}, title = {The Structure of hydantions in solution and in the solid state}, year = {1997}, language = {en} } @article{KleinpeterHeydenreichKalderetal.1997, author = {Kleinpeter, Erich and Heydenreich, Matthias and Kalder, L. and Koch, Andreas and Henning, Dietrich and Kempter, Gerhard and Benassi, Rois and Taddei, F.}, title = {NMR spectroscopic and theoretical structural analysis of 5,5-disubstituted hydantoins in solution}, year = {1997}, language = {en} } @article{BansseFliegnerHennigetal.1997, author = {Banße, Wolfgang and Fliegner, Jana Ute and Hennig, H. and Lehmann, Andreas and Uhlemann, Erhard and Tschwatschal, F.}, title = {Ligand exchange reactions of molybdenum hexacarbonyl with tridentate diacidic ligands}, year = {1997}, language = {en} } @article{BerthDautzenbergPeter1998, author = {Berth, Gisela and Dautzenberg, Herbert and Peter, Martin G.}, title = {Physica-chemical characterization of chitosans in dilute solution}, isbn = {2-907922-57-2}, year = {1998}, language = {en} } @article{YenesewMidiwoMeisneretal.1998, author = {Yenesew, Abiy and Midiwo, Jacob O. and Meisner, M. and Heydenreich, Matthias and Peter, Martin G.}, title = {Two prenylated flavanones from stem bark of erythrina burttii}, year = {1998}, language = {en} } @article{YenesewMidiwoHeydenreichetal.1998, author = {Yenesew, Abiy and Midiwo, Jacob O. and Heydenreich, Matthias and Peter, Martin G.}, title = {Four isoflavanones from stem bark of erythrina sacleuxii}, year = {1998}, language = {en} } @article{KoetzPlantenberg1998, author = {Koetz, Joachim and Plantenberg, Thomas}, title = {Self-assembled polyanion-polycation systems}, isbn = {0-9585708-1-7}, year = {1998}, language = {en} } @article{BerthDautzenbergPeter1998, author = {Berth, Gisela and Dautzenberg, Herbert and Peter, Martin G.}, title = {Physico-chemical characterization of chitosans varying in degree of acetylation}, issn = {0144-8617}, year = {1998}, language = {en} } @article{StruszczykLothKoehleretal.1998, author = {Struszczyk, Marcin Henryk and Loth, Fritz and K{\"o}hler, L. A. and Peter, Martin G.}, title = {Characterization of chitosan}, year = {1998}, language = {en} } @article{StruszczykLothPeter1998, author = {Struszczyk, Marcin Henryk and Loth, Fritz and Peter, Martin G.}, title = {Analysis of deacetylation deree in chitosans from various sources}, year = {1998}, language = {en} } @article{FriedrichHefeleMickleretal.1998, author = {Friedrich, Alwin and Hefele, Heike and Mickler, Wulfhard and M{\"o}nner, Anke and Uhlemann, Erhard and Scholz, F.}, title = {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}, year = {1998}, language = {en} } @article{MicklerMoennerUhlemann1998, author = {Mickler, Wulfhard and M{\"o}nner, Anke and Uhlemann, Erhard}, title = {Electrochemical studies on the stability of copper ß-diketone chelates}, year = {1998}, language = {en} } @article{StruszczykLothPeter1998, author = {Struszczyk, Marcin Henryk and Loth, Fritz and Peter, Martin G.}, title = {Calibration of methods for the determination of the degree of decatetylation of chitosan}, year = {1998}, language = {en} } @article{MicklerReichUhlemann1998, author = {Mickler, Wulfhard and Reich, Annett and Uhlemann, Erhard}, title = {Extraction of iron (II) and iron (III) with 4-acylpyrazolones in comparision with long chain 1-phenyl-1,3- (cyclo)alkanediones}, year = {1998}, language = {en} } @article{CierpiszewskiRusinskaRoszakSzymanowskietal.1998, author = {Cierpiszewski, Ryszard and Rusinska-Roszak, D. and Szymanowski, Jan and Mickler, Wulfhard and Uhlemann, Erhard}, title = {Rate of coper extraction and structure of model ß-diketones and 4-acyl-5-pyrazolones}, year = {1998}, language = {en} } @article{KoetzKosmella1998, author = {Koetz, Joachim and Kosmella, Sabine}, title = {Polyelectrolyte complex formation with chitosan}, year = {1998}, language = {en} } @article{KosmellaKoetzShirahamaetal.1998, author = {Kosmella, Sabine and Koetz, Joachim and Shirahama, K. and Liu, J.}, title = {The cooperative nature of complex formation in mixed polyelectrolyte-surfactant systems}, year = {1998}, language = {en} } @article{StrefferKaatzBaueretal.1998, author = {Streffer, Katrin and Kaatz, Helvi and Bauer, Christian G. and Makower, Alexander and Schulmeister, Thomas and Scheller, Frieder W. and Peter, Martin G. and Wollenberger, Ursula}, title = {Application of a sensitive catechol detector for determination of tyrosinase inhibitors}, year = {1998}, language = {en} } @article{AlarconAlderetePeteretal.1998, author = {Alarcon, Julio and Alderete, Joel B. and Peter, Martin G. and Becerra, Juan J. and Silva, M.}, title = {Study on synthesis of 3 alpha,4 alpha-dihydroxy-dihydro-beta-agarofuran}, year = {1998}, language = {en} } @article{MahapatraVetterZuhrtetal.1998, author = {Mahapatra, Susanta and Vetter, Reinhard and Zuhrt, Christian and Nguyen, Huu Tong and Ritschel, Thomas and Z{\"u}licke, Lutz}, title = {Ground state potential energy surface, 3D time-dependent intramolecular dynamics and vibrational states of the N2H+ molecular ion}, year = {1998}, language = {en} } @article{KalliesMitzner1998, author = {Kallies, Bernd and Mitzner, Rolf}, title = {Models of water-assisted hydrolyses of methyl formate, formamide, and urea from combined DFT-SCRF calculations}, year = {1998}, abstract = {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.}, language = {en} } @article{BeitzBechmannMitzner1998, author = {Beitz, Toralf and Bechmann, Wolfgang and Mitzner, Rolf}, title = {Investigations of reactions of selected Azaarenes with radicals in water, 2. Chlorine and Bromine radicals}, year = {1998}, language = {en} } @article{KalliesMitzner1998, author = {Kallies, Bernd and Mitzner, Rolf}, title = {Structural Properties of Protonated Acyl Derivatives as Studied by Quantum Mechanics}, year = {1998}, abstract = {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.}, language = {en} } @article{BeitzBechmannMitzner1998, author = {Beitz, Toralf and Bechmann, Wolfgang and Mitzner, Rolf}, title = {Investigations of reactions of selected Azaarenes with radicals in water, 1. Hydroxyl and sulfate radicals}, year = {1998}, language = {en} } @article{BenassiBregullaFriedrichetal.1998, author = {Benassi, Rois and Bregulla, Antje and Friedrich, Alwin and Henning, Dietrich and Heydenreich, Matthias and Mickler, Wulfhard and Kleinpeter, Erich and Kempter, Gerhard and Schilde, Uwe and Taddei, F.}, title = {NMR spectroscopic and theoretical structural study of 5-exo-methylene-substituted hydantoins}, year = {1998}, language = {en} } @article{ReicheStarkeKleinpeteretal.1998, author = {Reiche, K. B. and Starke, Ines and Kleinpeter, Erich and Holdt, Hans-J{\"u}rgen}, title = {Host-guest complexation of imine-type meta-bridged bis(benzo crown ether)s with alkali cations in the gas phase under FAB conditions}, year = {1998}, language = {en} } @article{KleinpeterHeydenreichWolleretal.1998, author = {Kleinpeter, Erich and Heydenreich, Matthias and Woller, Jochen and Wolf, Gunter and Koch, Andreas and Kempter, Gerhard and Pihlaja, Kalevi}, title = {Configuration and stereodynamics of exo/endoisomeric push-pull alkenes of pentadiene structure}, year = {1998}, language = {en} } @article{HilfertSarodnickKempteretal.1998, author = {Hilfert, Liane and Sarodnick, Gerhard and Kempter, Gerhard and Kleinpeter, Erich}, title = {1H, 13C and 15 N NMR study and molecular modelling of 2,3- disubstituted quinoxalines with sterically hinderered aromatic and heteroaromatic substituents}, year = {1998}, language = {en} } @article{Kleinpeter1998, author = {Kleinpeter, Erich}, title = {Conformational analysis of saturated six-membered oxygen-containing heterocyclic rings}, year = {1998}, language = {en} } @article{HeydenreichKochRistauetal.1998, author = {Heydenreich, Matthias and Koch, Andreas and Ristau, Thomas and Knoll, Susanne and Heinicke, Jochen and Sieler, Joachim and Niemitz, Matthias and M{\"u}hlst{\"a}dt, Manfred and Kleinpeter, Erich}, title = {Conformational analysis of sulfur-containing heterocycles ; part I: synthesis and structural determination of diastereomerically pure 4,6-bis(phenoxymethyl)-1,2,5-trithiepanes}, year = {1998}, language = {en} } @article{BechtholdTierschKoetzetal.1999, author = {Bechthold, Nina and Tiersch, Brigitte and Koetz, Joachim and Friberg, Stig E.}, title = {Structure Formation in polymer-modified liquid crystals}, year = {1999}, language = {en} } @article{KoetzBeitzTiersch1999, author = {Koetz, Joachim and Beitz, Toralf and Tiersch, Brigitte}, title = {Self assembled polymer-surfactant systems}, year = {1999}, language = {en} } @article{RottmannSynstadEijsinketal.1999, author = {Rottmann, Antje and Synstad, Bjoenar and Eijsink, Vincent G. H. and Peter, Martin G.}, title = {Synthesis of N-acetylglucosaminyl and diacetylchitobiosyl amides of heterocyclic carboxylic acids as potential chitinase inhibitors}, year = {1999}, language = {en} } @article{StruszczykHalwegPeter1999, author = {Struszczyk, Marcin Henryk and Halweg, R. and Peter, Martin G.}, title = {Comparative analysis of chitosans from insects and crustacea}, isbn = {3-9806494-5-8}, year = {1999}, language = {en} } @article{LetzelSynstadEijsinketal.1999, author = {Letzel, Matthias C. and Synstad, Bjoenar and Eijsink, Vincent G. H. and Peter-Katalinic, Jasna and Peter, Martin G.}, title = {Libraries of chito-oligosaccharides of mixed acetylation patterns and their interactions with chitinases}, isbn = {3-9806494-5-8}, year = {1999}, language = {en} } @article{KoetzKosmella1999, author = {Koetz, Joachim and Kosmella, Sabine}, title = {Polymers in lyotropic liquid crystals}, year = {1999}, language = {en} } @article{Koetz1999, author = {Koetz, Joachim}, title = {Interactions between charged colloids and polyelectrolytes (invited lecture)}, isbn = {0-89852- 748-1}, year = {1999}, language = {en} } @article{StruszczykLothPeter1999, author = {Struszczyk, Marcin Henryk and Loth, Fritz and Peter, Martin G.}, title = {Preparation of paper sheets containing microcrystalline chitosan}, isbn = {3-9806494-5-8}, year = {1999}, language = {en} } @article{StruszczykLothPeter1999, author = {Struszczyk, Marcin Henryk and Loth, Fritz and Peter, Martin G.}, title = {Method of microcrystalline chitosan-protein films preparation}, year = {1999}, language = {en} } @article{Mickler1999, author = {Mickler, Wulfhard}, title = {Reactive Liquid-Liquid-Extraction of heavy metals from Landfill Leachate}, isbn = {3-924763-80-1}, year = {1999}, language = {en} } @article{MicklerMoennerUhlemannetal.1999, author = {Mickler, Wulfhard and M{\"o}nner, Anke and Uhlemann, Erhard and Wilke, S. and M{\"u}ller, H.}, title = {Transfer of ß-diketone and 4-acylpyrazolone anions across the electrified water nitrobenzene interface}, year = {1999}, language = {en} } @article{ZuhrtNeumannZuelicke1999, author = {Zuhrt, Christian and Neumann, Rainer and Z{\"u}licke, Lutz}, title = {Investigation of vibrational states of the ArHCl+ cation in the electronic ground state}, year = {1999}, language = {en} } @article{KaatzStrefferWollenbergeretal.1999, author = {Kaatz, Helvi and Streffer, Katrin and Wollenberger, Ursula and Peter, Martin G.}, title = {Inhibition of mushroom tyrosinase by kojic acid octanoates}, year = {1999}, language = {en} } @article{KosmellaKoetzShirahama1999, author = {Kosmella, Sabine and Koetz, Joachim and Shirahama, K.}, title = {Binding of dodecylpyridinium chloride to anionic co-polymers and their complexes}, year = {1999}, language = {en} }