@article{AwasthiRitschelLipowskyetal.2013, author = {Awasthi, Neha and Ritschel, Thomas and Lipowsky, Reinhard and Knecht, Volker}, title = {Standard gibbs energies of formation and equilibrium constants from ab-initio calculations covalent dimerization of NO2 and synthesis of NH3}, series = {The journal of chemical thermodynamics}, volume = {62}, journal = {The journal of chemical thermodynamics}, number = {3}, publisher = {Elsevier}, address = {London}, issn = {0021-9614}, doi = {10.1016/j.jct.2013.03.011}, pages = {211 -- 221}, year = {2013}, abstract = {Standard quantum chemical methods are used for accurate calculation of thermochemical properties such as enthalpies of formation, entropies and Gibbs energies of formation. Equilibrium reactions are widely investigated and experimental measurements often lead to a range of reaction Gibbs energies and equilibrium constants. It is useful to calculate these equilibrium properties from quantum chemical methods in order to address the experimental differences. Furthermore, most standard calculation methods differ in accuracy and feasibility of the system size. Hence, asystematic comparison of equilibrium properties calculated with different numerical algorithms would provide a useful reference. We select two well-known gas phase equilibrium reactions with small molecules: covalent dimer formation of NO2 (2NO(2) reversible arrow N2O4) and the synthesis of NH3 (N-2 + 3 H-2 reversible arrow 2NH(3)). We test four quantum chemical methods denoted by G3B3, CBS-APNO, W1 and CCSD(T) with aug-cc-pVXZ basis sets (X = 2, 3, and 4), to obtain thermochemical data for NO2, N2O4, and NH3. The calculated standard formation Gibbs energies Delta(f)G degrees are used to calculate standard reaction Gibbs energies Delta(r)G degrees and standard equilibrium constants K-eq for the two reactions. Standard formation enthalpies Delta H-f degrees are calculated in a more reliable way using high-level methods such as W1 and CCSD(T). Standard entropies S degrees for the molecules are calculated well within the range of experiments for all methods, however, the values of standard formation Gibbs energies Delta(f)G degrees show some dependence on the choice of the method. High-level methods perform better for the calculation of molecular energies, however, simpler methods such as G3B3 and CBS-APNO perform quite well in the calculation of total reaction energies and equilibrium constants, provided that the chemical species involved do not exhibit molecular geometries that are difficult to handle by the applied method. The temperature dependence of standard reaction Gibbs energy Delta(r)G degrees for the NH3 reaction is discussed by using the calculated standard formation Gibbs energies Delta(f)G degrees of the reaction species at 298.15 K. The corresponding equilibrium constant K-eq as a function of temperature is found to be close to experimental values.}, language = {en} } @phdthesis{Award2009, author = {Award, Duhan Jawad}, title = {Mixed 1,2-D{\"u}mine-1,2-Dithiolate Ligand Complexes : Structure, Proberties and EPR Spectroscopy}, address = {Potsdam}, pages = {130 S.}, year = {2009}, language = {en} } @article{AwadSchildeStrauch2011, author = {Awad, Duha Jawad and Schilde, Uwe and Strauch, Peter}, title = {4,4 '-Bis(tert-butyl)-2,2 '-bipyridinedichlorometal(II) - Synthesis, structure and EPR spectroscopy}, series = {Inorganica chimica acta : the international inorganic chemistry journal}, volume = {365}, journal = {Inorganica chimica acta : the international inorganic chemistry journal}, number = {1}, publisher = {Elsevier}, address = {Lausanne}, issn = {0020-1693}, doi = {10.1016/j.ica.2010.08.035}, pages = {127 -- 132}, year = {2011}, abstract = {Due to the better solubility of the 4,4'-substituted bipyridine ligand a series of 4,4'0-bis(tert-butyl)-2,2'-bipyridinedichlorometal(II) complexes, [M(tbbpy)Cl(2)], with M = Cu, Ni, Zn, Pd, Pt was synthesised and characterised. The blue copper complex 4,4'-bis(tert-butyl)-2,2'-bipyridinedichlorocopper(II) was isolated in two different polymorphic forms, as prisms 1 with a solvent inclusion and solvent-free as needles 2. Both structures were determined by X-ray structure analysis. They crystallise in the monoclinic space group P2(1)/c with four molecules in the unit cell, but with different unit cells and packing motifs. Whereas in the prisms 1, with the unit cell parameters a = 12.1613(12), b = 10.6363(7), c = 16.3074(15) angstrom, eta = 94.446(8)degrees, the packing is dominated by intra-and intermolecular hydrogen bonds, in the needles 2, with a = 7.738(1), b = 18. 333(2), c = 13.291(3) angstrom, beta = 97.512(15)degrees, only intramolecular hydrogen bonds appear and the complex molecules are arranged in columns which are stabilised by p-p-stacking interactions. In both complexes the copper has a tetrahedrally distorted coordination sphere. These copper complexes were also studied by EPR spectroscopy in solution, as frozen glass and diamagnetically diluted powder with the analogue [Pd(tbbpy)Cl(2)] as host lattice.}, language = {en} } @article{AwadKochMickleretal.2012, author = {Awad, Duha Jawad and Koch, Andreas and Mickler, Wulfhard and Schilde, Uwe and Strauch, Peter}, title = {EPR spectroscopy of 4, 4 '-Bis(tert-butyl)-2, 2 '-bipyridine-1, 2-dithiolatocuprates(II) in host lattices with different coordination geometries}, series = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie}, volume = {638}, journal = {Zeitschrift f{\"u}r anorganische und allgemeine Chemie}, number = {6}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0044-2313}, doi = {10.1002/zaac.201100517}, pages = {965 -- 975}, year = {2012}, abstract = {A series of new heteroleptic MN2S2 transition metal complexes with M = Cu2+ for EPR measurements and as diamagnetic hosts Ni2+, Zn2+, and Pd2+ were synthesized and characterized. The ligands are N2 = 4, 4'-bis(tert-butyl)-2, 2'-bipyridine (tBu2bpy) and S2 =1, 2-dithiooxalate, (dto), 1, 2-dithiosquarate, (dtsq), maleonitrile-1, 2-dithiolate, or 1, 2-dicyanoethene-1, 2-dithiolate, (mnt). The CuII complexes were studied by EPR in solution and as powders, diamagnetically diluted in the isostructural planar [NiII(tBu2bpy)(S2)] or[PdII(tBu2bpy)(S2)] as well as in tetrahedrally coordinated[ZnII(tBu2bpy)(S2)] host structures to put steric stress on the coordination geometry of the central CuN2S2 unit. The spin density contributions for different geometries calculated from experimental parameters are compared with the electronic situation in the frontier orbital, namely in the semi-occupied molecular orbital (SOMO) of the copper complex, derived from quantum chemical calculations on different levels (EHT and DFT). One of the hosts, [NiII(tBu2bpy)(mnt)], is characterized by X-ray structure analysis to prove the coordination geometry. The complex crystallizes in a square-planar coordination mode in the monoclinic space group P21/a with Z = 4 and the unit cell parameters a = 10.4508(10) angstrom, b = 18.266(2) angstrom, c = 12.6566(12) angstrom, beta = 112.095(7)degrees. Oxidation and reductions potentials of one of the host complexes, [Ni(tBu2bpy)(mnt)], were obtained by cyclovoltammetric measurements.}, language = {en} } @article{AwadConradKochetal.2010, author = {Awad, Duha Jawad and Conrad, Franziska and Koch, Andreas and Schilde, Uwe and Poeppl, Andreas and Strauch, Peter}, title = {1,10-phenanthroline-dithiolate mixed ligand transition metal complexes : synthesis, characterization and EPR spectroscopy}, issn = {0020-1693}, doi = {10.1016/j.ica.2010.01.021}, year = {2010}, abstract = {A series of new N2S2 mixed ligand transition metal complexes, where N-2 is phenanthroline and S-2 is 1,2- dithiooxalate (dto) or 1,2-dithiosquarate (dtsq), has been synthesized and characterized. IR spectra reveal that the 1,2- dithiolate ligands are coordinated via the sulfur atoms forming a N2S2 coordination sphere. The copper(II) complex [Cu(phen)(dto)] was studied by EPR spectroscopy as a diamagnetically diluted powder. The diamagnetic dilution resulted from doping of the copper complex into the isostructural host lattice of the nickel complex [Ni(phen)(dto)]. The electronic situation in the frontier orbitals of the copper complex calculated from the experimental data is compared to the results of EHT and DFT calculations. Furthermore, one side product, chlorobis(1,10-phenanthroline)copper(I) ethanol solvate hydrate [(phen)(2)CuCl]center dot C2H5OH center dot H2O, was formed by a reduction process and characterized by X-ray diffraction. In the crystal packing one-dimensional columns of dimers are formed, stabilized by significant pi-pi interactions.}, language = {en} } @article{AttenbergerMoussaBrietzkeetal.2015, author = {Attenberger, Bianca and Moussa, Mehdi El Sayed and Brietzke, Thomas Martin and Vreshch, Volodimir and Holdt, Hans-J{\"u}rgen and Lescop, Christophe and Scheer, Manfred}, title = {Discrete Polymetallic Arrangements of Ag-I and Cu-I Ions Based on Multiple Bridging Phosphane Ligands and pi-pi Interactions}, series = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe}, journal = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe}, number = {18}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1434-1948}, doi = {10.1002/ejic.201500445}, pages = {2934 -- 2938}, year = {2015}, abstract = {A simple and straightforward approach to new polymetallic Ag-I and Cu-I supramolecules is presented. The reaction of N,P,N,P,N ligand 2 with Ag-I ions affords a trimetallic complex bearing a triangular Ag-3 core; metallophilic interactions are stabilized by ligands that display a multiple bridging coordination mode as 10-electron donors. Heteroleptic polymetallic Ag-I and Cu-I complexes based on ligand 2 and the 1,12-diazaperylene (dape) ligand are obtained by an alternative molecular organization of the polymetallic arrays compared to that in homoleptic complexes of ligand 2.}, language = {en} } @article{AtilawHeydenreichNdakalaetal.2014, author = {Atilaw, Yoseph and Heydenreich, Matthias and Ndakala, Albert and Akala, Hoseah M. and Kamau, Edwin and Yenesew, Abiy}, title = {3-Oxo-14 alpha, 15 alpha-epoxyschizozygine: A new schizozygane indoline alkaloid from Schizozygia coffaeoides}, series = {Phytochemistry letters}, volume = {10}, journal = {Phytochemistry letters}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1874-3900}, doi = {10.1016/j.phytol.2014.07.003}, pages = {28 -- 31}, year = {2014}, abstract = {The stem bark extract of Schizozygia coffaeoides (Apocynaceae) showed moderate antiplasmodial activity (IC50 = 8-12 mu g/mL) against the chloroquine-sensitive (D6) and chloroquine-resistant (W2) strains of Plasmodium falciparum. Chromatographic separation of the extract led to the isolation of a new schizozygane indoline alkaloid, named 3-oxo-14 alpha, 15 alpha-epoxyschizozygine. In addition, two dimeric anthraquinones, cassiamin A and cassiamin B, were identified for the first time in the family Apocynaceae. The structures of the isolated compounds were deduced on the basis of spectroscopic evidence. The schizozygane indole alkaloids showed good to moderate antiplasmodial activities (IC50 = 13-52 mu m). (C) 2014 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.}, language = {en} } @article{AtilawDuffyHeydenreichetal.2017, author = {Atilaw, Yoseph and Duffy, Sandra and Heydenreich, Matthias and Muiva-Mutisya, Lois and Avery, Vicky M. and Erdelyi, Mate and Yenesew, Abiy}, title = {Three Chalconoids and a Pterocarpene from the Roots of Tephrosia aequilata}, series = {Molecules}, volume = {22}, journal = {Molecules}, number = {2}, publisher = {MDPI}, address = {Basel}, issn = {1420-3049}, doi = {10.3390/molecules22020318}, pages = {11}, year = {2017}, abstract = {In our search for new antiplasmodial agents, the CH2Cl2/CH3OH (1:1) extract of the roots of Tephrosia aequilata was investigated, and observed to cause 100\% mortality of the chloroquine-sensitive (3D7) strain of Plasmodium falciparum at a 10 mg/mL concentration. From this extract three new chalconoids, E-2,6-dimethoxy-3,4-(2,2-dimethyl)pyranoretrochalcone (1, aequichalcone A), Z-2,6-dimethoxy-3,4-(2,2-dimethyl)pyranoretrochalcone (2, aequichalcone B), 4-ethoxy-3-hydroxypraecansone B (3, aequichalcone C) and a new pterocarpene, 3,4:8,9-dimethylenedioxy-6a,11a-pterocarpene (4), along with seven known compounds were isolated. The purified compounds were characterized by NMR spectroscopic and mass spectrometric analyses. Compound 1 slowly converts into 2 in solution, and thus the latter may have been enriched, or formed, during the extraction and separation process. The isomeric compounds 1 and 2 were both observed in the crude extract. Some of the isolated constituents showed good to moderate antiplasmodial activity against the chloroquine-sensitive (3D7) strain of Plasmodium falciparum.}, language = {en} } @article{AstSchwarzeMuelleretal.2013, author = {Ast, Sandra and Schwarze, Thomas and M{\"u}ller, Holger and Sukhanov, Aleksey and Michaelis, Stefanie and Wegener, Joachim and Wolfbeis, Otto S. and K{\"o}rzd{\"o}rfer, Thomas and D{\"u}rkop, Axel and Holdt, Hans-J{\"u}rgen}, title = {A highly K+-Selective Phenylaza-[18]crown-6-Lariat-Ether-Based Fluoroionophore and its application in the sensing of K+ Ions with an optical sensor film and in cells}, series = {Chemistry - a European journal}, volume = {19}, journal = {Chemistry - a European journal}, number = {44}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0947-6539}, doi = {10.1002/chem.201302350}, pages = {14911 -- 14917}, year = {2013}, abstract = {Herein, we report the synthesis of two phenylaza-[18]crown-6 lariat ethers with a coumarin fluorophore (1 and 2) and we reveal that compound 1 is an excellent probe for K+ ions under simulated physiological conditions. The presence of a 2-methoxyethoxy lariat group at the ortho position of the anilino moiety is crucial to the substantially increased stability of compounds 1 and 2 over their lariat-free phenylaza-[18] crown-6 ether analogues. Probe 1 shows a high K+/Na+ selectivity and a 2.5-fold fluorescence enhancement was observed in the presence of 100 mm K+ ions. A fluorescent membrane sensor, which was prepared by incorporating probe 1 into a hydrogel, showed a fully reversible response, a response time of 150 s, and a signal change of 7.8\% per 1 mm K+ within the range 1-10 mm K+. The membrane was easily fabricated (only a single sensing layer on a solid polyester support), yet no leaching was observed. Moreover, compound 1 rapidly permeated into cells, was cytocompatible, and was suitable for the fluorescent imaging of K+ ions on both the extracellular and intracellular levels.}, language = {en} } @article{AstRutledgeTodd2012, author = {Ast, Sandra and Rutledge, Peter J. and Todd, Matthew H.}, title = {Reversing the triazole topology in a cyclam-triazole-dye ligand gives a 10-fold brighter signal response to Zn2+ in aqueous solution}, series = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe}, journal = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe}, number = {34}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1434-1948}, doi = {10.1002/ejic.201201072}, pages = {5611 -- 5615}, year = {2012}, abstract = {The fluorescence response of a set of cyclam-triazole-dye ligands is controlled by the appended dye, but simple reversal of the triazole topology affords a novel probe for Zn2+ with a longer fluorescence lifetime and higher fluorescence quantum yield upon Zn2+ binding ( = 2.0 ns, Phi(f) = 0.76).}, language = {en} } @misc{AstFischerMuelleretal.2013, author = {Ast, Sandra and Fischer, Tobias and M{\"u}ller, Holger and Mickler, Wulfhard and Schwichtenberg, Mathias and Rurack, Knut and Holdt, Hans-J{\"u}rgen}, title = {Integration of the 1,2,3-Triazole "Click" Motif as a potent signalling element in metal ion responsive fluorescent probes}, series = {Chemistry - a European journal}, volume = {19}, journal = {Chemistry - a European journal}, number = {9}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0947-6539}, doi = {10.1002/chem.201201575}, pages = {2990 -- 3005}, year = {2013}, abstract = {In a systematic approach we synthesized a new series of fluorescent probes incorporating donoracceptor (D-A) substituted 1,2,3-triazoles as conjugative -linkers between the alkali metal ion receptor N-phenylaza-[18]crown-6 and different fluorophoric groups with different electron-acceptor properties (4-naphthalimide, meso-phenyl-BODIPY and 9-anthracene) and investigated their performance in organic and aqueous environments (physiological conditions). In the charge-transfer (CT) type probes 1, 2 and 7, the fluorescence is almost completely quenched by intramolecular CT (ICT) processes involving charge-separated states. In the presence of Na+ and K+ ICT is interrupted, which resulted in a lighting-up of the fluorescence in acetonitrile. Among the investigated fluoroionophores, compound 7, which contains a 9-anthracenyl moiety as the electron-accepting fluorophore, is the only probe which retains light-up features in water and works as a highly K+/Na+-selective probe under simulated physiological conditions. Virtually decoupled BODIPY-based 6 and photoinduced electron transfer (PET) type probes 35, where the 10-substituted anthracen-9-yl fluorophores are connected to the 1,2,3-triazole through a methylene spacer, show strong ion-induced fluorescence enhancement in acetonitrile, but not under physiological conditions. Electrochemical studies and theoretical calculations were used to assess and support the underlying mechanisms for the new ICT and PET 1,2,3-triazole fluoroionophores.}, language = {en} } @phdthesis{Ast2012, author = {Ast, Sandra}, title = {Integration of the 1,2,3-Triazole "Click" motif as a potent signalling element into metal ion responsive fluorescent probes for physiological cations}, address = {Potsdam}, pages = {137 S.}, year = {2012}, language = {en} } @misc{AstSchmaelzlinLoehmannsroebenetal.2012, author = {Ast, Cindy and Schm{\"a}lzlin, Elmar and L{\"o}hmannsr{\"o}ben, Hans-Gerd and van Dongen, Joost T.}, title = {Optical oxygen micro- and nanosensors for plant applications}, series = {Sensors}, volume = {12}, journal = {Sensors}, number = {6}, publisher = {MDPI}, address = {Basel}, issn = {1424-8220}, doi = {10.3390/s120607015}, pages = {7015 -- 7032}, year = {2012}, abstract = {Pioneered by Clark's microelectrode more than half a century ago, there has been substantial interest in developing new, miniaturized optical methods to detect molecular oxygen inside cells. While extensively used for animal tissue measurements, applications of intracellular optical oxygen biosensors are still scarce in plant science. A critical aspect is the strong autofluorescence of the green plant tissue that interferes with optical signals of commonly used oxygen probes. A recently developed dual-frequency phase modulation technique can overcome this limitation, offering new perspectives for plant research. This review gives an overview on the latest optical sensing techniques and methods based on phosphorescence quenching in diverse tissues and discusses the potential pitfalls for applications in plants. The most promising oxygen sensitive probes are reviewed plus different oxygen sensing structures ranging from micro-optodes to soluble nanoparticles. Moreover, the applicability of using heterologously expressed oxygen binding proteins and fluorescent proteins to determine changes in the cellular oxygen concentration are discussed as potential non-invasive cellular oxygen reporters.}, language = {en} } @phdthesis{Ast2013, author = {Ast, Cindy}, title = {Design and photophysical characterization of single fluorophore-based ammonium sensors}, address = {Potsdam}, pages = {90 S.}, year = {2013}, language = {en} } @phdthesis{Asfaw2005, author = {Asfaw, Mesfin}, title = {Adhesion of multi-component membbranes and strings}, address = {Potsdam}, pages = {102 S. : graph. Darst.}, year = {2005}, language = {en} } @article{ArysFischerJonasetal.2003, author = {Arys, Xavier and Fischer, Peter and Jonas, Alain M. and Koetse, Marc M. and Legras, Roger and Laschewsky, Andr{\´e} and Wischerhoff, Erik}, title = {Ordered polyelectrolyte multilayers : rules governing layering in organic binary multilayers}, year = {2003}, language = {en} } @article{ArotcarenaHeiseIshayaetal.2002, author = {Arotcarena, Michel and Heise, Bettina and Ishaya, Sultana and Laschewsky, Andr{\´e}}, title = {Switching the inside and the outside of aggregates of water-soluble block copolymers with double thermoresponsivity}, year = {2002}, abstract = {Water-soluble block copolymers were prepared from the non-ionic monomer N-isopropylacrylamide (NIPA) and the zwitterionic monomer 3-[N-(3-methacrylamidopropyl)-N,N-dimethyl]-ammonio propane sulfonate (SPP) by sequential free radical polymerization via the RAFT process. Such block copolymers with two hydrophilic blocks exhibit double thermo- responsive behavior in water: the poly-NIPA block shows a lower critical solution temperature, whereas the poly-SPP block exhibits an upper critical solution temperature. Appropriate design of the block lengths leads to block copolymers which stay in solution in the full temperature range between 0°C and 100°C. Both blocks of these polymers dissolve in water at intermediate temperatures, whereas at high temperatures, the poly-NIPA block forms colloidal hydrophobic associates that are kept in solution by the poly-SPP block, and at low temperatures, the poly-SPP block forms colloidal polar aggregates that are kept in solution by the poly-NIPA block. In this way, colloidal aggregates can be prepared in water which switch reversibly, and without any additive, their "inside" to the "outside", and vice versa. The aggregates provide microdomains and surfaces of different character, which can be controlled by a simple thermal stimulus.}, language = {en} } @article{ArminDurrantShoaee2017, author = {Armin, Ardalan and Durrant, James R. and Shoaee, Safa}, title = {Interplay Between Triplet-, Singlet-Charge Transfer States and Free Charge Carriers Defining Bimolecular Recombination Rate Constant of Organic Solar Cells}, series = {The journal of physical chemistry : C, Nanomaterials and interfaces}, volume = {121}, journal = {The journal of physical chemistry : C, Nanomaterials and interfaces}, publisher = {American Chemical Society}, address = {Washington}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b04825}, pages = {13969 -- 13976}, year = {2017}, abstract = {Despite the myriad of organic donor:acceptor materials, only few systems have emerged in the life of organic solar cells to, exhibit considerable reduced bimolecular recombination, with respect to the random encounter rate given by the Langevin equation. Monte Carlo simulations have revealed that the rate constant of the formation of electron-hole bound states depends on the random encounter of opposite charges and is nearly given by the Langevin equation for the domain sizes relevant to efficient bulk heterojunction systems. Recently, three studies :suggested that charge transfer states dissociating much faster than their decay rate to the ground state, can result in reduced bimolecular recombination by lowering the recombination rate to the ground state as a loss pathway. A separate study identified another loss pathway and suggested that forbidden back electron transfer from triplet charge transfer states to triplet excitons is a key to achieving reduced recombination. Herein we further explain the reduced bimolecular recombination by investigating the limitations of these two proposals. By solving kinetic rate equations for a BHJ system with realistic rates, we show that both of these previously presented conditions must only be held at the same time fora system to exhibit non-Langevin behavior. We demonstrate that suppression of both of the parallel loss channels of singlet and triplet states can be achieved through increasing the dissociation rate of the charge transfer states; a crucial requirement to achieve a high charge carrier extraction efficiency.}, language = {en} } @inproceedings{ArltSchwiebsPfarretal.2014, author = {Arlt, Olga and Schwiebs, Anja and Pfarr, Kathrin and Ranglack, Annika and Bouzas, Ferreiros Nerea and Schreiber, Yannick and Neuber, Corinna and Kleuser, Burkhard and Pfeilschifter, Josef M. and Radeke, Heinfried H.}, title = {Dynamic interaction between sphingolipid enzymes, S1P and inflammatory cytokine regulation in dendritic cells}, series = {NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY}, volume = {387}, booktitle = {NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY}, publisher = {Springer}, address = {New York}, issn = {0028-1298}, pages = {S91 -- S91}, year = {2014}, language = {en} } @article{AriasFeuerbachSchmidtetal.2018, author = {Arias, Hugo R. and Feuerbach, Dominik and Schmidt, Bernd and Heydenreich, Matthias and Paz, Cristian and Ortells, Marcelo O.}, title = {Drimane Sesquiterpenoids Noncompetitively Inhibit Human alpha 4 beta 2 Nicotinic Acetylcholine Receptors with Higher Potency Compared to Human alpha 3 beta 4 and alpha 7 Subtypes}, series = {Journal of natural products}, volume = {81}, journal = {Journal of natural products}, number = {4}, publisher = {American Chemical Society}, address = {Washington}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.7b00893}, pages = {811 -- 817}, year = {2018}, abstract = {The drimane sesquiterpenoids drimenin, cinnamolide, dendocarbin A, and polygodial were purified from the Canelo tree (Drimys winteri) and chemically characterized by spectroscopic methods. The pharmacological activity of these natural compounds were determined on hα4β2, hα3β4, and hα7 nicotinic acetylcholine receptors (AChRs) by Ca2+ influx measurements. The results established that drimane sesquiterpenoids inhibit AChRs with the following selectivity: hα4β2 > hα3β4 > hα7. In the case of hα4β2 AChRs, the following potency rank order was determined (IC50's in μM): drimenin (0.97 ± 0.35) > cinnamolide (1.57 ± 0.36) > polygodial (62.5 ± 19.9) ≫ dendocarbin A (no activity). To determine putative structural features underlying the differences in inhibitory potency at hα4β2 AChRs, additional structure-activity relationship and molecular docking experiments were performed. The Ca2+ influx and structural results supported a noncompetitive mechanism of inhibition, where drimenin interacted with luminal and nonluminal (TMD-β2 intrasubunit) sites. The structure-activity relationship results, i.e., the lower the ligand polarity, the higher the inhibitory potency, supported the nonluminal interaction. Ligand binding to both sites might inhibit the hα4β2 AChR by a cooperative mechanism, as shown experimentally (nH > 1). Drimenin could be used as a molecular scaffold for the development of more potent inhibitors with higher selectivity for the hα4β2 AChR.}, language = {en} } @article{AravopoulouKyriakosMiasnikovaetal.2018, author = {Aravopoulou, Dionysia and Kyriakos, Konstantinos and Miasnikova, Anna and Laschewsky, Andre and Papadakis, Christine M. and Kyritsis, Apostolos}, title = {Comparative Investigation of the Thermoresponsive Behavior of Two Diblock Copolymers Comprising PNIPAM and PMDEGA Blocks}, series = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, volume = {122}, journal = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, number = {9}, publisher = {American Chemical Society}, address = {Washington}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.7b09647}, pages = {2655 -- 2668}, year = {2018}, abstract = {The thermoresponsive behavior of two diblock copolymers PS-b-PNIPAM and PS-b-PMDEGA, which both comprise a hydrophobic polystyrene (PS) block but different thermoresponsive blocks, also differing in length, poly(N-isopropylacrylamide) (PNIPAM) and poly(methoxy diethylene glycol acrylate) (PMDEGA), respectively, was comparatively investigated in a wide temperature range. Concentrated aqueous solutions containing 25 wt \% polymer were studied by small-angle X-ray scattering (SAXS), differential scanning calorimetry (DSC), and broadband dielectric spectroscopy (BDS). DSC measurements show that, during the demixing phase transition, the hydration number per oligo(ethylene glycol) side chain in the PS-b-PMDEGA solution decreases rather gradually, even up to 20 °C above the onset of the transition, i.e., the cloud point (CP). In contrast, the PS-b-PNIPAM solution exhibits an abrupt, stepwise dehydration behavior at its CP, indicated by the sharp, narrow endothermic peak. BDS measurements suggest that the organization of the expelled water during the phase transition and the subsequent evolution of the micellar aggregates are different for the two copolymers. In the PS-b-PMDEGA solution, the long-range charge transport process changes significantly at its CP and strong interfacial polarization processes appear, probably due to charge accumulation at the interfaces between the micellar aggregates and the aqueous medium. On the contrary, in the PS-b-PNIPAM solution, the phase transition has only a marginal effect on the long-range conduction process and is accompanied by a reduction in the high-frequency (1 MHz) dielectric permittivity, ε′. The latter effect is attributed to the reduced polarization strength of local chain modes due to an enhancement of intra- and interchain hydrogen bonds (HBs) in the polymer-rich phase during the water detaching process. Surprisingly, our BDS measurements indicate that prior to both the demixing and remixing processes the local chain mobility increases temporally. Our dielectric studies suggest that for PS-b-PNIPAM the water detaching process initiates a few degrees below CP and that the local chain mobility and intra- and/or interchain HBs of the PNIPAM blocks may control its thermoresponsive behavior. Dielectric "jump" experiments show that the kinetics of micellar aggregation in the PS-b-PMDEGA solution is slower than that in the PS-b-PNIPAM solution and is independent of the target temperature within the two-phase region. From the experimental point of view, it is shown that the dielectric susceptibility, especially, the dielectric permittivity, ε′, is a well-suited probe for monitoring both the reversible changes in the molecular dipolar bond polarizability and the long-range interfacial polarization at the phase transition.}, language = {en} } @phdthesis{Appajaiah2004, author = {Appajaiah, Anilkumar}, title = {Climatic stability of polymer optical fibers (POF)}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0001661}, school = {Universit{\"a}t Potsdam}, year = {2004}, abstract = {Optische Polymerfasern stellen ein relativ neues Medium zur Hochgeschwindigkeitsdaten{\"u}bertragung mittels moduliertem Licht dar. Sie gestatten die Verbreitung großer Datenmengen {\"u}ber Entfernungen bis zu ca. 100 m, ohne eine Beeinflussung durch externe elektromagnetischen Feldern. Jedoch reagieren die Fasern und somit auch ihre optischen Eigenschaften aufgrund des organischchemischen Faseraufbaus empfindlich auf das Klima ihrer Umgebung. Die Ursachen f{\"u}r die Abnahme der optischen Transmission aufgrund von klimatischen Einfl{\"u}ssen (Alterung, Degradation) werden mittels chemisch analytischer Verfahren wie Chemilumineszenz (CL) und Fourier Transform Infrarot (FTIR) Spektroskopie untersucht. Dabei kommen f{\"u}nf, von verschiedenen Herstellern bezogene, Multimode- POFs aus PMMA in sieben verschiedenen Klimaten zum Einsatz. Drei dieser f{\"u}nf POFs werden genauer untersucht, um den Einfluss einzelner Parameter festzustellen und optische Langzeitstabilit{\"a}t aufgrund von Kurzzeittests vorherzusagen. Als erstes erfolgt eine Kennzeichnung unbeanspruchter POF Komponenten (Kern, Mantel und nackte POF als Kombination von Kern und Mantel) {\"u}ber ihre physikalischen und chemischen Eigenschaften. Die Glas- und die Schmelztemperaturen liegen im Bereich von 120 °C bis 140 °C, das Molekulargewicht des Kerns bei gr{\"o}ßenordnungsm{\"a}ßig 105 g mol-1 ;. FTIR-Messungen zeigen zwar Unterschiede in der chemischen Zusammensetzung der M{\"a}ntel aber keine Unterschiede bei den Kernen. Bei zwei der POF Proben , die als Kabel (Kern, Mantel und Schutzh{\"u}lle) f{\"u}r 3300 Stunden einem Klima aus 92 °C und 95 \% relativer Feuchte (r.F.) ausgesetzt waren, verringern sich daraufhin die optische Transmissionen in unterschiedlicher Weise. Die Untersuchung der zugeh{\"o}rigen nackten POFs mittels CL, FTIR, Thermogravimetrie (TG), UV/VIS und Gel Permeation Chromatographie (GPC) l{\"a}sst eine st{\"a}rkere Sch{\"a}digung der M{\"a}ntel als der Kerne vermuten. Wahrscheinlich f{\"u}hrt eine starke Manteldegradation zu einer erh{\"o}hten Absorption und Fehlstellen im Mantel und damit zu einer Transmissionsabnahme. Daher scheint die optische Stabilit{\"a}t der POF st{\"a}rker durch die thermo-oxidative Stabilit{\"a}t des Mantels bestimmt zu sein als durch die des Kernes. Drei nackte POFs (Kern und Mantel) sind unterschiedlich lang (30 Stunden bis 3000 Stunden) folgenden Klimaten ausgesetzt: 92 °C / 95 \% r.F., 92 °C / 50 \% r.F., 50 °C / 95 \% r.F., 90 °C / geringe Feuchte, 100 °C / geringe Feuchte, 110 °C / geringe Feuchte and 120 °C / geringe Feuchte. Auch in diesen Klimaten ergaben sich probenbedingte unterschiedliche Transmissions{\"a}nderungen. Die Ergebnisse deuten stark darauf hin, dass bei gleichzeitig hoher Temperatur und hoher Feuchte physikalische {\"A}nderungen wie die Volumenausdehnung die Hauptursachen f{\"u}r die Abnahme der optischen Transmission bilden. Ein weiterer Einflussfaktor ist die chemische Zusammensetzung der M{\"a}ntel. Bei Kombination von hoher Temperatur und geringer Feuchte erzeugen in den Anfangsstadien der Alterung physikalische {\"A}nderungen Transmissionsabnahmen, vermutlich entstehen Fehlstellen in der Kern-Mantel-Grenzschicht. Hinzukommen in den sp{\"a}teren Stadien wahrscheinlich zunehmende Lichtabsorption in Kern und Mantel. L. Jankowski (Doktorand in der BAM) best{\"a}tigt diese Annahme durch parallel ausgef{\"u}hrte optische Simulationsrechnungen. Auch f{\"u}r nackte POFs scheint also die thermo-oxidative Stabilit{\"a}t die optische Stabilit{\"a}t zu bestimmen. Kurzzeitalterungstests sollen Aufschluss {\"u}ber den Einfluss individueller Klimaparameter auf die POF Eigenschaften geben. Es zeigt sich bei dauerhaft hoher Temperatur und variabler Feuchte aufgrund des physikalisch absorbierten Wassers bis zu einem gewissen Grad ein reversibles Verhalten des Transmissionsverlustes. Dieses Verhalten tritt aber nur kaum merkbar auf, wenn bei konstanter hoher Feuchte die Temperatur variiert wird. Bei Raumtemperatur und variabler Feuchte stellt sich jedoch ein voll reversibles Verhalten des Transmissionsverlustes ein. Die hier beschriebenen Untersuchungen sind als Ausgangspunkt f{\"u}r weitergehende Forschungen zu verstehen. Die begrenzte Zurverf{\"u}gungstellung von POF Basisdaten durch die Hersteller und der zeitaufwendige klimabedingte Alterungsprozess beschr{\"a}nken die Ergebnisse mehr oder weniger auf die untersuchten Proben. Signifikante allgemeine Aussagen erfordern aber beispielsweise zus{\"a}tzliche statistische Daten der Produktionsschwankungen von POF Eigenschaften. Dennoch besitzen die hier beschriebenen Tests das Potential f{\"u}r eine Ann{\"a}herung an die optische Langzeitstabilit{\"a}t und deren Vorhersage.}, language = {en} } @article{ApitzBellDamgaardetal.2005, author = {Apitz, Sabine E. and Bell, Elanor M. and Damgaard, Lars and Gilbert, Franck and Glud, R and Hall, P. O. J. and Kershaw, P. J. and Nickel, L and Parker, R and Rabouille, Christophe and Shimmield, Grahamm and Solan, Martin and Soltwedel, Thomas and Spagnoli, Federico and Witte, Ursula}, title = {Coastal Ocean Benthic Observatories (COBO) : integrated tools for the in situ observation and study of benthic ecosystem biogeochemical processes}, year = {2005}, language = {en} } @article{AntoniouPashalidisGessneretal.2011, author = {Antoniou, Stella and Pashalidis, Ioannis and Gessner, Andre and Kumke, Michael Uwe}, title = {Spectroscopic investigations on the effect of humic acid on the formation and solubility of secondary solid phases of Ln(2)(CO3)(3)}, series = {Journal of rare earths}, volume = {29}, journal = {Journal of rare earths}, number = {6}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1002-0721}, doi = {10.1016/S1002-0721(10)60490-5}, pages = {516 -- 521}, year = {2011}, abstract = {The formation of secondary Ln(III) solid phases (e.g., Nd-2(CO3)(3) and Sm-2(CO3)(3)) was studied as a function of the humic acid concentration in 0.1 mol/L NaClO4 aqueous solution in the neutral pH range (5-6.5). The solid phases under investigation were prepared by alkaline precipitation under 100\% CO2 atmosphere and characterized by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD), time-resolved laser fluorescence spectroscopy (TRLFS), diffuse reflectance ultraviolet-visible (DR-UV-Vis), Raman spectroscopy, and solubility measurements. The spectroscopic data obtained indicated that Nd-2(CO3)(3) and Sm-2(CO3)(3) were stable and remained the solubility limiting solid phases even in the presence of increased humic acid concentration (0.5 g/L) in solution. Upon base addition in the Ln(III)-HA system, decomplexation of the previously formed Ln(III)-humate complexes and precipitation of two distinct phases occurred, the inorganic (Ln(2)(CO3)(3)) and the organic phase (HA), which was adsorbed on the particle surface of the former. Nevertheless, humic acid affected the particle size of the solid phases. Increasing humic acid concentration resulted in decreasing crystallite size of the Nd-2(CO3)(3) and increasing crystallite size of the Sm-2(CO3)(3) solid phase, and affected inversely the solubility of the solid phases. However, this impact on the solid phase properties was expected to be of minor relevance regarding the chemical behavior and migration of trivalent lanthanides and actinides in the geosphere.}, language = {en} } @article{AntoniouPashalidisGessneretal.2011, author = {Antoniou, Stella and Pashalidis, I. and Gessner, Andre and Kumke, Michael Uwe}, title = {The effect of humic acid on the formation and solubility of secondary solid phases (Nd(OH)CO3 and Sm(OH)CO3)}, series = {Radiochimica acta : international journal for chemical aspects of nuclear science and technology}, volume = {99}, journal = {Radiochimica acta : international journal for chemical aspects of nuclear science and technology}, number = {4}, publisher = {De Gruyter}, address = {Berlin}, issn = {0033-8230}, doi = {10.1524/ract.2011.1812}, pages = {217 -- 223}, year = {2011}, abstract = {The formation of secondary Ln(III) solid phases (e.g. Nd(OH)CO3 and Sm(OH)CO3) has been studied as a function of the humic acid (HA) concentration in 0.1 M NaClO4 aqueous solution and their solubility has been investigated in the neutral pH range (6.5-8) under normal atmospheric conditions. Nd(III) and Sm(III) were selected as analogues for trivalent lanthanide and actinide ions. The solid phases under investigation have been prepared by alkaline precipitation and characterized by TGA, ATR-FTIR, XRD, TRLFS, DR-UV-Vis and Raman spectroscopy, and solubility measurements. The spectroscopic data obtained indicate that Nd(OH)CO3 and Sm(OH)CO3 are stable and remain the solubility limiting solid phases even in the presence of increased HA concentration (0.5 g/L) in solution. Upon base addition in the Ln(III)-HA system decomplexation of the previously formed Ln(III)-humate complexes and precipitation of two distinct phases occurs, the inorganic (Ln(OH)CO3) and the organic phase (HA), which is adsorbed on the particle surface of the former. Nevertheless, HA affects the particle size of the solid phases. Increasing HA concentration results in decreasing crystallite size of the Nd(OH)CO3 and increasing crystallite size of the Sm(OH)CO3 solid phase, and affects inversely the solubility of the solid phases. However, this impact on the solid phase properties is expected to be of minor relevance regarding the chemical behavior and migration of trivalent lanthanides and actinides in the geosphere.}, language = {en} } @misc{AntonLaschewskyWard1995, author = {Anton, Peter and Laschewsky, Andr{\´e} and Ward, M. D.}, title = {Solubilization control by redox-switching of polysoaps}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-17336}, year = {1995}, abstract = {Reversible changes in the self-organization of polysoaps may be induced by controlling their charge numbers via covalently bound redox moieties. This is illustrated with two viologen polysoaps, which in response to an electrochemical stimulus, change their solubility and aggregation in water, leading from homogeneously dissolved and aggregated molecules to collapsed ones and vice verse. Using the electrochemical quartz crystal microbalance (EQCM), it could be shown that the reversibility of this process is better than 95\% in 16 cycles.}, language = {en} } @misc{AntonLaschewsky1993, author = {Anton, Peter and Laschewsky, Andr{\´e}}, title = {Zwitterionic polysoaps with reduced density of surfactant side groups}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-17301}, year = {1993}, abstract = {Several zwitterionic polymers were prepared by radical homopolymerization of surfactant monomers which bear diallyl, diene or vinylcyclopropane moieties. These polymer systems were complemented by alternating copolymers of appropriate zwitterionic vinyl compounds. Thus, polymers with reduced (as compared with simple vinylic homopolymers, or statistical copolymers) and well defined density of surfactant side groups are obtained. The solubilities found for these polymers are dominated by polymer geometry rather than by the balance of hydrophilic and hydrophobic fragments, thus corroborating a main-chain spacer model proposed recently. All water-soluble polymers exhibit characteristic features of classical polysoaps, as shown by surface tension measurements and by solubilization of hydrophobic dyes. In contrast, the water-insoluble copolymers are capable to form stable monolayers at the air-water interface.}, language = {en} } @misc{AntonLaschewsky1994, author = {Anton, Peter and Laschewsky, Andr{\´e}}, title = {Solubilization by polysoaps}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-17327}, year = {1994}, abstract = {The aqueous solubilization power of several series of micellar homopolymers and copolymers (polysoaps) is investigated. Using five insoluble or poorly water-soluble dyes, comparisons of the capacities are made with respect ot the influence of structural variables such as the polymer backbone, the polymer geometry, the comonomer content, and the charge of the hydrophilic group. Some guidelines for polysoap structures suited for efficient solubilization are established. Noteworthy is that the solubilization capacities of the polysoaps are neither linked to the ability to reduce the surface tension of water, nor to the polarity of the solubilization sites deduced from spectroscopic probes.}, language = {en} } @misc{AntonLaschewsky1991, author = {Anton, Peter and Laschewsky, Andr{\´e}}, title = {Polysoaps via alternating olefin/SO2 copolymers}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-17216}, year = {1991}, abstract = {Contents: Introduction Results and discussion - Monomers studied - Monomer properties - Polymerization, copolymer composition and general properties - Polymer properties in aqueous solution Conclusion Experimental part - Materials - Copolymerization with S02 (typical procedure) - Methods}, language = {en} } @misc{AntonKoeberleLaschewsky1993, author = {Anton, Peter and K{\"o}berle, Peter and Laschewsky, Andr{\´e}}, title = {Recent developments in the field of micellar polymers}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-17263}, year = {1993}, abstract = {This article describes recent achievements in the field of micellar polymers, or polysoaps. Taking advantage of zwitterionic model polymers, systematic variations of the molecular architecture have provided an improved understanding of the relationship between the molecular structure of the polymers and their key properties such as surface activity and solubilization capacity. Useful rules are established, which take into account much of the previous data in the literature.}, language = {en} } @phdthesis{Antipov2003, author = {Antipov, Alexei}, title = {Polyelectrolyte multilayer capsules as controlled permeability vehicles and catalyst carriers}, pages = {100 S.}, year = {2003}, language = {en} } @article{AndrianovSaalfrank2006, author = {Andrianov, Ivan and Saalfrank, Peter}, title = {Free vibrational relaxation of H adsorbed on a Si(100) surface investigated with the multi-configurational time-dependent Hartree method}, series = {Chemical physics letters}, volume = {433}, journal = {Chemical physics letters}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0009-2614}, doi = {10.1016/j.cplett.2006.11.067}, pages = {91 -- 96}, year = {2006}, abstract = {The results of a quantum-mechanical study of vibrational relaxation of hydrogen adsorbed on a Si(100) surface with the multi-configurational time-dependent Hartree (MCTDH) method are presented. A two-dimensional subsystem is coupled non-linearly to a bath of harmonic oscillators (phonons of the Si bulk), and the relaxation of subsystem vibrations proceeds primarily via a two-phonon process. Characteristic times of the system evolution agree well with our previous perturbation theory study. The vibrational population decay is non-exponential, exhibiting pronounced recurrences due to finite bath size. The dependence of the lifetimes of the vibrational levels on the bath size and on the coupling details is investigated.}, language = {en} } @article{AndrewsRossMunzkeetal.2016, author = {Andrews, Nicholas L. P. and Ross, Rachel and Munzke, Dorit and van Hoorn, Camiel and Brzezinski, Andrew and Barnes, Jack A. and Reich, Oliver and Loock, Hans-Peter}, title = {In-fiber Mach-Zehnder interferometer for gas refractive index measurements based on a hollow-core photonic crystal fiber}, series = {Optics express : the international electronic journal of optics}, volume = {24}, journal = {Optics express : the international electronic journal of optics}, publisher = {Optical Society of America}, address = {Washington}, issn = {1094-4087}, doi = {10.1364/OE.24.014086}, pages = {14086 -- 14099}, year = {2016}, abstract = {We describe an in-fiber interferometer based on a gas-filled hollow-core photonic crystal fiber. Expressions for the sensitivity, figure of merit and refractive index resolution are derived, and values are experimentally measured and theoretically validated using mode field calculations. The refractive indices of nine monoatomic and molecular gases are measured with a resolution of delta(ns) < 10(-6). (C)2016 Optical Society of America}, language = {en} } @article{AndrewsFergusonRangaswamyetal.2017, author = {Andrews, N. L. P. and Ferguson, T. and Rangaswamy, A. M. M. and Bernicky, A. R. and Henning, N. and Dudelzak, A. and Reich, Oliver and Barnes, Jack A. and Loock, Hans-Peter}, title = {Hadamard-Transform Fluorescence Excitation-Emission-Matrix Spectroscopy}, series = {Analytical chemistry}, volume = {89}, journal = {Analytical chemistry}, publisher = {American Chemical Society}, address = {Washington}, issn = {0003-2700}, doi = {10.1021/acs.analchem.7b02400}, pages = {8554 -- 8564}, year = {2017}, abstract = {We present a fluorescence excitation-emission-matrix spectrometer with superior data acquisition rates over previous instruments. Light from a white light emitting diode (LED) source is dispersed onto a digital micromirror array (DMA) and encoded using binary n-size Walsh functions ("barcodes"). The encoded excitation light is used to irradiate the liquid sample and its fluorescence is dispersed and detected using a conventional array spectrometer. After exposure to excitation light encoded in n different ways, the 2-dimensional excitation-emission-matrix (EEM) spectrum is obtained by inverse Hadamard transformation. Using this technique we examined the kinetics of the fluorescence of rhodamine B as a function of temperature and the acid-driven demetalation of chlorophyll into pheophytin-a. For these experiments, EEM spectra with 31 excitation channels and 2048 emission channels were recorded every 15 s. In total, data from over 3000 EEM spectra were included in this report. It is shown that the increase in data acquisition rate can be as high as [{n(n + 1)}/2]-fold over conventional EEM spectrometers. Spectral acquisition rates of more than two spectra per second were demonstrated.}, language = {en} } @misc{AndersenPerterRoepstorff1992, author = {Andersen, Svend Olav and Perter, Martin G. and Roepstorff, Peter}, title = {Cuticle-catalyzed coupling between N-acetylhistidine and N-acetyldopamine}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-16762}, year = {1992}, abstract = {Several types of insect cuticle contain enzymes catalyzing the formation ofof adducts between N-acetyldopamine (NADA) and N-acetylhistidine (NAH). Two such adducts, NAH-NADA-I and NAH NADA-II, have been isolated and their structures determined. In one of the adducts the link connecting the two residues occurs between the I-position (ß-position) in the NADA side chain and the 1-N atom (τ-N) in the imidazole ring of histidine. Diphenoloxidase activity alone is not sufficient for formation of this adduct, whereas extracts containing both diphenoloxidase and o-quinone-p-quinone methide isomerase activities catalyze the coupling reaction. The adduct consists of a mixture of two diastereomers and they are presumably formed by spontaneous reaction between enzymatically produced NADA-p-quinone methide and N-acetylhistidine. The other adduct has been identified as a ring addition product of N-acetylhistidine and NADA. In contrast to the former adduct it can be formed by incubation of the two substrates with mushroom tyrosinase alone. An adduct between N-acetylhistidine and the benzodioxan-type NADA-dimer is produced in vitro, when the N-acetylhistidine-NADA adduct is incubated with NADA and locust cuticle containing a 1,2-dehydro-NADA generating enzyme system. Trimeric NADA-polymerization products of the substituted benzodioxan-type have been obtained from in vivo sclerotized locust cuticle, confirming the ability of cuticle to produce NADA-oligomers. The results indicate that some insect cuticles contain enzymes promoting linkage of oxidized NADA to histidine residues. It is suggested that histidine residues in the cuticular proteins can serve as acceptors for oxidized NADA and that further addition of NADA-residues to the phenolic groups of bound NADA can occur, resulting in formation of protein-linked NADA-oligomers. The coupling reactions identified may be an important step in natural cuticular sclerotization.}, language = {en} } @article{AndersenPeterRoepstorff1996, author = {Andersen, S. O. and Peter, Martin G. and Roepstorff, Peter}, title = {Cuticular sclerotization in insects}, year = {1996}, language = {en} } @phdthesis{Andersen2005, author = {Andersen, Audr{\´e}e}, title = {Surfactant dynamics at interfaces : a series of second harmonic generation experiments}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-6553}, school = {Universit{\"a}t Potsdam}, year = {2005}, abstract = {Adsorption layers of soluble surfactants enable and govern a variety of phenomena in surface and colloidal sciences, such as foams. The ability of a surfactant solution to form wet foam lamellae is governed by the surface dilatational rheology. Only systems having a non-vanishing imaginary part in their surface dilatational modulus, E, are able to form wet foams. The aim of this thesis is to illuminate the dissipative processes that give rise to the imaginary part of the modulus. There are two controversial models discussed in the literature. The reorientation model assumes that the surfactants adsorb in two distinct states, differing in their orientation. This model is able to describe the frequency dependence of the modulus E. However, it assumes reorientation dynamics in the millisecond time regime. In order to assess this model, we designed a SHG pump-probe experiment that addresses the orientation dynamics. Results obtained reveal that the orientation dynamics occur in the picosecond time regime, being in strong contradiction with the two states model. The second model regards the interface as an interphase. The adsorption layer consists of a topmost monolayer and an adjacent sublayer. The dissipative process is due to the molecular exchange between both layers. The assessment of this model required the design of an experiment that discriminates between the surface compositional term and the sublayer contribution. Such an experiment has been successfully designed and results on elastic and viscoelastic surfactant provided evidence for the correctness of the model. Because of its inherent surface specificity, surface SHG is a powerful analytical tool that can be used to gain information on molecular dynamics and reorganization of soluble surfactants. They are central elements of both experiments. However, they impose several structural elements of the model system. During the course of this thesis, a proper model system has been identified and characterized. The combination of several linear and nonlinear optical techniques, allowed for a detailed picture of the interfacial architecture of these surfactants.}, subject = {Tensid}, language = {en} } @article{AndayiYenesewDereseetal.2006, author = {Andayi, Andrew W. and Yenesew, Abiy and Derese, Solomon and Midiwo, Jacob O. and Gitu, Peter M. and Jondiko, Ogoche J. I. and Akala, Hoseah M. and Liyala, Pamela and Wangui, Julia and Waters, Norman C. and Heydenreich, Matthias and Peter, Martin G.}, title = {Antiplasmodial flavonoids from Erythrina sacleuxii}, issn = {0032-0943}, doi = {10.1055/s-2005-873200}, year = {2006}, abstract = {The acetone extracts of the root bark and stem bark of Erythrina sacleuxii showed antiplasmodial activities against the chloroquine-sensitive (D6) and chloroquine-resistant (W2) strains of Plasmodium falciparum. Chromatographic separation of the acetone extract of the root bark afforded a new isoflavone, 7-hydroxy-4 -methoxy-3'- prenylisoflavone (trivial name 5-deoxy-3' - prenylbiochanin A) along with known isoflavonoids as the antiplasmodial principles. Flavonoids and isoflavonoids isolated from the stem bark of E. sucleuxii were also tested and showed antiplasmodial activities. The structures were determined on the basis of spectroscopic evidence}, language = {en} } @phdthesis{Ambrogi2015, author = {Ambrogi, Martina}, title = {Application of Poly(Ionic Liquid)s for the synthesis of functional carbons}, school = {Universit{\"a}t Potsdam}, pages = {125}, year = {2015}, language = {en} } @phdthesis{Altabal2021, author = {Altabal, Osamah}, title = {Design and fabrication of geometry-assisted on-demand dosing systems}, doi = {10.25932/publishup-53244}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-532441}, school = {Universit{\"a}t Potsdam}, pages = {xxiv, 122}, year = {2021}, abstract = {The controlled dosage of substances from a device to its environment, such as a tissue or an organ in medical applications or a reactor, room, machinery or ecosystem in technical, should ideally match the requirements of the applications, e.g. in terms of the time point at which the cargo is released. On-demand dosage systems may enable such a desired release pattern, if the device contain suitable features that can translate external signals into a release function. This study is motivated by the opportunities arising from microsystems capable of an on-demand release and the contributions that geometrical design may have in realizing such features. The goals of this work included the design, fabrication, characterization and experimental proof-of-concept of geometry-assisted triggerable dosing effect (a) with a sequential dosing release and (b) in a self-sufficient dosage system. Structure-function relationships were addressed on the molecular, morphological and, with a particular attention, the device design level, which is on the micrometer scale. Models and/or computational tools were used to screen the parameter space and provide guidance for experiments.}, language = {en} } @article{AlrefaiMondalWrucketal.2019, author = {Alrefai, Anas and Mondal, Suvendu Sekhar and Wruck, Alexander and Kelling, Alexandra and Schilde, Uwe and Brandt, Philipp and Janiak, Christoph and Schoenfeld, Sophie and Weber, Birgit and Rybakowski, Lawrence and Herrman, Carmen and Brennenstuhl, Katlen and Eidner, Sascha and Kumke, Michael Uwe and Behrens, Karsten and G{\"u}nter, Christina and M{\"u}ller, Holger and Holdt, Hans-J{\"u}rgen}, title = {Hydrogen-bonded supramolecular metal-imidazolate frameworks: gas sorption, magnetic and UV/Vis spectroscopic properties}, series = {Journal of Inclusion Phenomena and Macrocyclic Chemistry}, volume = {94}, journal = {Journal of Inclusion Phenomena and Macrocyclic Chemistry}, number = {3-4}, publisher = {Springer}, address = {Dordrecht}, issn = {1388-3127}, doi = {10.1007/s10847-019-00926-6}, pages = {155 -- 165}, year = {2019}, abstract = {By varying reaction parameters for the syntheses of the hydrogen-bonded metal-imidazolate frameworks (HIF) HIF-1 and HIF-2 (featuring 14 Zn and 14 Co atoms, respectively) to increase their yields and crystallinity, we found that HIF-1 is generated in two different frameworks, named as HIF-1a and HIF-1b. HIF-1b is isostructural to HIF-2. We determined the gas sorption and magnetic properties of HIF-2. In comparison to HIF-1a (Brunauer-Emmett-Teller (BET) surface area of 471m(2) g(-1)), HIF-2 possesses overall very low gas sorption uptake capacities [BET(CO2) surface area=85m(2) g(-1)]. Variable temperature magnetic susceptibility measurement of HIF-2 showed antiferromagnetic exchange interactions between the cobalt(II) high-spin centres at lower temperature. Theoretical analysis by density functional theory confirmed this finding. The UV/Vis-reflection spectra of HIF-1 (mixture of HIF-1a and b), HIF-2 and HIF-3 (with 14 Cd atoms) were measured and showed a characteristic absorption band centered at 340nm, which was indicative for differences in the imidazolate framework.}, language = {en} } @article{AloniPerovicWeitmanetal.2019, author = {Aloni, Sapir Shekef and Perovic, Milena and Weitman, Michal and Cohen, Reut and Oschatz, Martin and Mastai, Yitzhak}, title = {Amino acid-based ionic liquids as precursors for the synthesis of chiral nanoporous carbons}, series = {Nanoscale Advances}, volume = {1}, journal = {Nanoscale Advances}, number = {12}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2516-0230}, doi = {10.1039/c9na00520j}, pages = {4981 -- 4988}, year = {2019}, abstract = {The synthesis of chiral nanoporous carbons based on chiral ionic liquids (CILs) of amino acids as precursors is described. Such unique precursors for the carbonization of CILs yield chiral carbonaceous materials with high surface area (approximate to 620 m(2) g(-1)). The enantioselectivities of the porous carbons are examined by advanced techniques such as selective adsorption of enantiomers using cyclic voltammetry, isothermal titration calorimetry, and mass spectrometry. These techniques demonstrate the chiral nature and high enantioselectivity of the chiral carbon materials. Overall, we believe that the novel approach presented here can contribute significantly to the development of new chiral carbon materials that will find important applications in chiral chemistry, such as in chiral catalysis and separation and in chiral sensors. From a scientific point of view, the approach and results reported here can significantly deepen our understanding of chirality at the nanoscale and of the structure and nature of chiral nonporous materials and surfaces.}, language = {en} } @article{AliHomannKreiseletal.2012, author = {Ali, Mostafa and Homann, Thomas and Kreisel, Janka and Khalil, Mahmoud and Puhlmann, Ralf and Kruse, Hans-Peter and Rawel, Harshadrai Manilal}, title = {Characterization and modeling of the interactions between coffee storage proteins and phenolic compounds}, series = {Journal of agricultural and food chemistry : a publication of the American Chemical Society}, volume = {60}, journal = {Journal of agricultural and food chemistry : a publication of the American Chemical Society}, number = {46}, publisher = {American Chemical Society}, address = {Washington}, issn = {0021-8561}, doi = {10.1021/jf303372a}, pages = {11601 -- 11608}, year = {2012}, abstract = {This study addresses the interactions of coffee storage proteins with coffee-specific phenolic compounds. Protein profiles, of Coffea arabica and Coffea canephora (var robusta) were compared. Major Phenolic compounds were extracted and analyzed with appropriate methods. The polyphenol-protein interactions during protein extraction have been addressed by different analytical setups [reversed-phase high-performance liquid chromatography (RP-HPLC), sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE), matrix-assisted laser desorption ionization-time of flight-mass spectrometry (MALDI-TOF-MS), and Trolox equivalent antioxidant capacity (TEAC) assays], with focus directed toward identification of covalent adduct formation. The results indicate that C. arabica proteins are more susceptible to these interactions and the polyphenol oxidase activity seems to be a crucial factor for the formation of these addition products. A tentative allocation of the modification type and site in the protein has been attempted. Thus, the first available in silico modeling of modified coffee proteins is reported. The extent of these modifications may contribute to the structure and function of "coffee melanoidins" and are discussed in the context of coffee flavor formation.}, language = {en} } @article{AliHomannKhaliletal.2013, author = {Ali, Mostafa and Homann, Thomas and Khalil, Mahmoud and Kruse, Hans-Peter and Rawel, Harshadrai Manilal}, title = {Milk whey protein modification by coffee-specific phenolics effect on structural and functional properties}, series = {Journal of agricultural and food chemistry : a publication of the American Chemical Society}, volume = {61}, journal = {Journal of agricultural and food chemistry : a publication of the American Chemical Society}, number = {28}, publisher = {American Chemical Society}, address = {Washington}, issn = {0021-8561}, doi = {10.1021/jf402221m}, pages = {6911 -- 6920}, year = {2013}, abstract = {A suitable vehicle for integration of bioactive plant constituents is proposed. It involves modification of proteins using phenolics and applying these for protection of labile constituents. It dissects the noncovalent and covalent interactions of beta-lactoglobulin with coffee-specific phenolics. Alkaline and polyphenol oxidase modulated covalent reactions were compared. Tryptic digestion combined with MALDI-TOF-MS provided tentative allocation of the modification type and site in the protein, and an in silico modeling of modified beta-lactoglobulin is proposed. The modification delivers proteins with enhanced antioxidative properties. Changed structural properties and differences in solubility, surface hydrophobicity, and emulsification were observed. The polyphenol oxidase modulated reaction provides a modified beta-lactoglobulin with a high antioxidative power, is thermally more stable, requires less energy to unfold, and, when emulsified with lutein esters, exhibits their higher stability against UV light. Thus, adaptation of this modification provides an innovative approach for functionalizing proteins and their uses in the food industry.}, language = {en} } @phdthesis{Ali2005, author = {Ali, Abu Md. Imroz}, title = {Morphology control in nanoscopic composite polymer particles}, address = {Potsdam}, pages = {97, XXXV S. : Ill., graph. Darst.}, year = {2005}, language = {en} } @misc{AlbrechtCummingKreuderetal.1986, author = {Albrecht, O. and Cumming, W. and Kreuder, W. and Laschewsky, Andr{\´e} and Ringsdorf, Helmut}, title = {Monolayers of rod-shaped and disc-shaped liquid crystalline compounds at the air-water interface}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-17124}, year = {1986}, abstract = {Calamitic (rod-shaped) and discotic (disc-shaped) thermotropic liquid crystalline (LC) compounds were spread at the air-water interface, and their ability to form monolayers was studied. The calamitic LCs investigated were found to form monolayers which behave analogously to conventional amphiphiles such as fatty acids. The spreading of the discotic LCs produced monolayers as well, but with a behaviour different from classical amphiphiles. The areas occupied per molecule are too small to allow the contact of all hydrophilic groups with the water surface and the packing of all hydrophobic chains. Various molecular arrangements of the discotics at the water surface to fit the spreading data are discussed.}, 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{AlarconAldereteAguilaetal.2005, author = {Alarcon, Julio and Alderete, Joel B. and Aguila, Sergio and Peter, Martin G.}, title = {Regio and stereoselective hydroxylation of alpha-agarofuran by biotransformation of rhizopus nigricans}, year = {2005}, abstract = {A new synthesis of 9 alpha-hydroxy-alpha-agarofuran (6 alpha) is described, using a microbiological hydroxylation alpha-agarofuran (5) as the key reaction. The stereochemistry of the biohydroxylation was determined on the basis of a NOESY-experiment and GIAO calculations at the B3LYP/cc-pVDZ level. A strong gamma-effect was observed at C15 of the agarofuran ring which was correctly predicted by the GIAO-B3LYP calculations}, language = {en} } @phdthesis{Alahverdjieva2007, author = {Alahverdjieva, Veneta}, title = {Experimental study of mixed protein/surfactant systems at the aqueous solution/air interface}, address = {Potsdam}, pages = {XIV, 146 S., X : graph. Darst.}, year = {2007}, language = {en} } @article{AlNajiSchlaadAntonietti2020, author = {Al-Naji, Majd and Schlaad, Helmut and Antonietti, Markus}, title = {New (and old) monomers from biorefineries to make polymer chemistry more sustainable}, series = {Macromolecular rapid communications}, volume = {42}, journal = {Macromolecular rapid communications}, number = {3}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1022-1336}, doi = {10.1002/marc.202000485}, pages = {11}, year = {2020}, abstract = {This opinion article describes recent approaches to use the "biorefinery" concept to lower the carbon footprint of typical mass polymers, by replacing parts of the fossil monomers with similar or even the same monomer made from regrowing dendritic biomass. Herein, the new and green catalytic synthetic routes are for lactic acid (LA), isosorbide (IS), 2,5-furandicarboxylic acid (FDCA), and p-xylene (pXL). Furthermore, the synthesis of two unconventional lignocellulosic biomass derivable monomers, i.e., alpha-methylene-gamma-valerolactone (MeGVL) and levoglucosenol (LG), are presented. All those have the potential to enter in a cost-effective way, also the mass market and thereby recover lost areas for polymer materials. The differences of catalytic unit operations of the biorefinery are also discussed and the challenges that must be addressed along the synthesis path of each monomers.}, language = {en} }