@article{NeuvonenNeuvonenKochetal.2007,
  author    = {Neuvonen, Helmi and Neuvonen, Kari and Koch, Andreas and Kleinpeter, Erich},
  title     = {DFT study of the substituent cross-interaction effects on the conformation of substituted N-benzylideneanilines : Models of liquid crystal forming compounds ; use of C-13 Nmr chemcal shift of the C=N carbon as a tool to predict the conformation of the molecule},
  doi       = {10.1016/j.theochem.2007.03.023},
  year      = {2007},
  abstract  = {The conformations of N-benzylideneani lines p-X-C6H4-CH=N-C6H4 p-Y (X, Y = NO2, CN, CF3, F, Cl, Br, H, Me, OMe, NMe2) have been studied by B3LYP density functional (DFT) hybrid method in combination with the 6-31G* or 6-311G* split valence basis set. The twist of the plane of the aniline ring with respect to the other part of the molecule (tau(2)) is systematically controlled by substituents X and Y, the effect of Y being larger. The value of the dihedral angle tau(2), correlates nicely with equation tau(2) = rho(F)(Y)(x)sigma(F)(Y)+rho(+R)(Y)(x)sigma(+)(R)(Y) + k(x) or tau(2) = rho(F)(X)(y)sigma(F)(X)+rho(-)(R)(X)(y)sigma(+)(R)(X) + k(y), respectively, when aniline or benzylidene substituent is varied. ED substituents X diminish the sensitivity of tau(2) to the aniline substituent Y[rho(F)(Y)(x) and rho(+)(R)(Y)(x)] while ED substituents Y increase the sensitivity Of T2 to the benzylidene substituent X[rho(F)(X)(y) and rho(+)(R)(X)(y)]. There seems to be two competitive conjugative interactions for the aniline ring n electrons: one with the nitrogen lone pair and one with the C=N unit. Substituents X and Y adjust the extent of these interactions and therefore the conformation of the molecule. A good correlation is observed between the dihedral angle tau(2) and the experimental C-13 NMR chemical shift of the C=N carbon of N-benzylideneanilines in CDCl3 (C) 2007 Elsevier B.V. All rights reserved.},
  language  = {en}
}
@article{HeydenreichKochKlodetal.2006,
  author    = {Heydenreich, Matthias and Koch, Andreas and Klod, Sabrina and Szatmari, Istvan and Fulop, Ferenc and Kleinpeter, Erich},
  title     = {Synthesis and conformational analysis of naphth[1', 2':5,6][1,3]oxazino[3,2-c][1,3]benzoxazine and naphth[1', 2':5,6][1,3]oxazino[3,4-c][1,3]benzoxazine derivatives},
  series = {Tetrahedron},
  volume    = {62},
  journal   = {Tetrahedron},
  number    = {48},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0040-4020},
  doi       = {10.1016/j.tet.2006.09.037},
  pages     = {11081 -- 11089},
  year      = {2006},
  abstract  = {A new functional group, the hydroxy group, was inserted into a Betti base by reaction with salicylaldehyde, and the naphthoxazine derivatives thus obtained were converted by ring-closure reactions with formaldehyde, acetaldehyde, propionaldehyde or phosgene to the corresponding naphth[1',2':5,6][1,3]oxazino[3,2-c][1,3]benzoxazine derivatives. Further, the conformational analysis of these polycyclic compounds by NMR spectroscopy and an accompanying molecular modelling are reported; especially, both quantitative anisotropic ring current effects of the aromatic moieties in these compounds and steric substituent effects were employed to determine the stereochemistry of the naphthoxazinobenzoxazine derivatives.},
  language  = {en}
}
@article{StrehmelLaschewskyWetzel2006,
  author    = {Strehmel, Veronika and Laschewsky, Andr{\´e} and Wetzel, Hendrik},
  title     = {Homopolymerization of a highly polar zwitterionic methacrylate in ionic liquids and its copolymerization with a non-polar methacrylate},
  year      = {2006},
  abstract  = {Free radical homo- and copolymerization of the highly polar 3-(N-[2-methacryloyloxyethyl]-N,N-dimethylammonio) propane sulfonate with the nonpolar n-butylmethacrylate was investigated in the ionic liquids 1-butyl-3-methyl imidazolium tetrafluoroborate and 1-butyl-3-methylimidazolium hexafluoro phosphate, and compared to analogous polymerizations in standard solvents. Higher molar masses are obtained for the zwitterionic homopolymer when the polymerization is carried out in an ionic liquid compared to the classical reaction in water. Although homopolymerization of the sulfobetain monomer as well as of n-butylmethacrylate results in phase separation during the polymerization process, copolymerization of a stoichiometric ratio of the two monomers in the ionic liquids produced transparent gels indicating that no macrophase separation occurs. The use of ionic liquids as reaction medium improved the copolymerization behavior of the two methacrylates significantly. Whereas only minor amounts of n-butyl methacrylate were incorporated in the copolymer when synthesized in acetonitrile, the content of the non-polar monomer units in the zwitterionic copolymer approached increasingly its content in the polymerization mixture when ionic liquids were employed as solvents},
  language  = {en}
}
@article{KleinpeterFettke2008,
  author    = {Kleinpeter, Erich and Fettke, Anja},
  title     = {Quantification of the (anti)aromaticity of fulvenes subject to ring size},
  issn      = {0040-4039},
  doi       = {10.1016/j.tetlet.2008.02.137},
  year      = {2008},
  abstract  = {Tria-, penta-, hepta- and nonafulvenes (1-4) have been studied theoretically at the MP2 ab initio level of theory. For the global minimum structures, the occupation of the bonding ;C=C orbital of the exocyclic C=C double bond, obtained by NBO analysis, quantitatively proves ;-electron delocalization which can reveal partial 2-, 6- and 10-;-electron aromaticity, and 4-, 8- and 12-;-electron antiaromaticity of the ring moieties. Beside the corresponding occupation number, this conjugation was quantified by the length of the exocyclic C=C double bond whilst the (anti)aromaticity of the ring moieties of 1-4 was visualized and quantified by through space NMR shielding surfaces (TSNMRS).},
  language  = {en}
}
@article{HayerdeHalleuxKoehleretal.2006,
  author    = {Hayer, Anna and de Halleux, Veronique and K{\"o}hler, Anna and El-Garoughy, Abdel and Meijer, E. W. and Barbera, Joaquin and Tant, Julien and Levin, Jeremy and Lehmann, Matthias and Gierschner, Johannes and Cornil, Jerome and Geerts, Yves Henri},
  title     = {Highly fluorescent crystalline and liquid crystalline columnar phases of pyrene-based structures},
  issn      = {1520-6106},
  doi       = {10.1021/Jp0573689},
  year      = {2006},
  abstract  = {A concept for highly ordered solid-state structures with bright fluorescence is proposed: liquid crystals based on tetraethynylpyrene chromophores, where the rigid core is functionalized with flexible, promesogenic alkoxy chains. The synthesis of this novel material is presented. The therniotropic properties are studied by means of differential scanning calorimetry (DSC), cross-polarized optical microscopy (POM), and X-ray diffraction. The mesogen possesses an enantiotropic Col(h) phase over a large temperature range before clearing. The material is highly fluorescent in solution and, most remarkably, in the condensed state, with a broad, strongly red shifted emission. Fluorescence quantum yields (Phi(F)) have been determined to be 70\% in dichloromethane solution and 62\% in the solid state. Concentration- and temperature-dependent absorption and emission studies as well as quantum-chemical calculations on isolated molecules and dimers are used to clarify the type of intermolecular interactions present as well as their influence on the fluorescence quantum yield and spectral properties of the material. The high luminescence efficiency in the solid state is ascribed to rotated chromophores, leading to an optically allowed lowest optical transition},
  language  = {en}
}
@article{KoetzAndresKosmellaetal.2006,
  author    = {Koetz, Joachim and Andres, S. and Kosmella, Sabine and Tiersch, Brigitte},
  title     = {BaSO4 nanorods produced in polymer-modified bicontinuous microemulsions},
  issn      = {0927-6440},
  doi       = {10.1163/156855406777408629},
  year      = {2006},
  abstract  = {The influence of the water soluble polymer poly(ethylene glycol) (PEG) on structure formation in the quasiternary system sodium dodecylsulfate (SDS)/pentanol-xylene/water was checked by means of conductometry, rheology, and micro differential calorimetry. The polymer induces the formation of an isotropic phase channel between the o/w and w/o microemulsion. The transition from the normal as well as from the inverse micellar to the bicontinuous phase range can be detected by conductometry, rheology as well as micro-DSC. As a result of polymer-surfactant interactions, the spontaneous curvature of the surfactant film is changed and a sponge phase is formed. The bicontinuous phase is characterized by a moderate shear viscosity, a Newtonian flow behaviour, and the disappearence of interphasal water in the heating curve of the micro-DSC. When the polymer-modified bicontinuous phase is used as a template phase for the nanoparticle formation, spherical BaSO4 nanoparticles were formed. During the following solvent evaporation process the primarily formed spherical nanoparticles aggregate to nanorods and triangular structures due to the non-restriction of the bicontinuous template phase in longitudinal direction},
  language  = {en}
}
@article{HahnKellingSchildeetal.2008,
  author    = {Hahn, Simone and Kelling, Alexandra and Schilde, Uwe and Holdt, Hans-J{\"u}rgen},
  title     = {Crystal structure of bis(2-ethylthiomethylpyridine)platinum(II) hexachloroplatinate, [Pt(C8H11NS)2][PtCl6]},
  issn      = {1433-7266},
  doi       = {10.1524/ncrs.2008.0216},
  year      = {2008},
  abstract  = {C16H22Cl6N2Pt2S2, orthorhombic, Pbca (no. 61), a = 15.5660(8) angstrom, b = 17.4892(9) angstrom, c = 18.161 (1) angstrom, V = 4944. 1 angstrom(3), Z = 8, R-gt(F) = 0.030, wR(ref)(F-2) = 0.055, T = 210 K.},
  language  = {en}
}
@article{OliverLunnUrbanczykWochniaketal.2008,
  author    = {Oliver, Sandra N. and Lunn, John Edward and Urbanczyk-Wochniak, Ewa and Lytovchenko, Anna and van Dongen, Joost T. and Faix, Benjamin and Schm{\"a}lzlin, Elmar and Fernie, Alisdair and Schm{\"a}elzlin, E. and Geigenberger, Peter},
  title     = {Decreased expression of cytosolic pyruvate kinase in potato tubers leads to a decline in pyruvate resulting in an in vivo repression of the alternative oxidase},
  doi       = {10.1104/pp.108.126516},
  year      = {2008},
  abstract  = {The aim of this work was to investigate the effect of decreased cytosolic pyruvate kinase (PKc) on potato (Solanum tuberosum) tuber metabolism. Transgenic potato plants with strongly reduced levels of PKc were generated by RNA interference gene silencing under the control of a tuber-specific promoter. Metabolite profiling showed that decreased PKc activity led to a decrease in the levels of pyruvate and some other organic acids involved in the tricarboxylic acid cycle. Flux analysis showed that this was accompanied by changes in carbon partitioning, with carbon flux being diverted from glycolysis toward starch synthesis. However, this metabolic shift was relatively small and hence did not result in enhanced starch levels in the tubers. Although total respiration rates and the ATP to ADP ratio were largely unchanged, transgenic tubers showed a strong decrease in the levels of alternative oxidase (AOX) protein and a corresponding decrease in the capacity of the alternative pathway of respiration. External feeding of pyruvate to tuber tissue or isolated mitochondria resulted in activation of the AOX pathway, both in the wild type and the PKc transgenic lines, providing direct evidence for the regulation of AOX by changes in pyruvate levels. Overall, these results provide evidence for a crucial role of PKc in the regulation of pyruvate levels as well as the level of the AOX in heterotrophic plant tissue, and furthermore reveal that these parameters are interlinked in vivo.},
  language  = {en}
}
@article{ScheweSchmaelzlinWalz2008,
  author    = {Schewe, Bettina and Schmaelzlin, Elmar and Walz, Bernd},
  title     = {Intracellular pH homeostasis and serotonin-induced pH changes in Calliphora salivary glands : the contribution of V-ATPase and carbonic anhydrase},
  year      = {2008},
  language  = {en}
}
@article{YinSchubertStilleretal.2008,
  author    = {Yin, Chunhong and Schubert, Marcel and Stiller, Burkhard and Castellani, Mauro and Neher, Dieter and Kumke, Michael Uwe and H{\"o}rhold, Hans-Heinrich},
  title     = {Tuning of the excited-state properties and photovoltaic performance in PPV-based polymer blends},
  doi       = {10.1021/Jp803977k},
  year      = {2008},
  language  = {en}
}
@article{TremblayMonturetSaalfrank2010,
  author    = {Tremblay, Jean Christophe and Monturet, Serge and Saalfrank, Peter},
  title     = {Electronic damping of anharmonic adsorbate vibrations at metallic surfaces},
  issn      = {1098-0121},
  doi       = {10.1103/Physrevb.81.125408},
  year      = {2010},
  abstract  = {The nonadiabatic coupling of an adsorbate close to a metallic surface leads to electronic damping of adsorbate vibrations and line broadening in vibrational spectroscopy. Here, a perturbative treatment of the electronic contribution to the lifetime broadening serves as a building block for a new approach, in which anharmonic vibrational transition rates are calculated from a position-dependent coupling function. Different models for the coupling function will be tested, all related to embedding theory. The first two are models based on a scattering approach with (i) a jellium-type and (ii) a density functional theory based embedding density, respectively. In a third variant a further refined model is used for the embedding density, and a semiempirical approach is taken in which a scaling factor is chosen to match harmonic, single-site, first-principles transition rates, obtained from periodic density functional theory. For the example of hydrogen atoms on (adsorption) and below (subsurface absorption) a Pd(111) surface, lifetimes of and transition rates between vibrational levels are computed. The transition rates emerging from different models serve as input for the selective subsurface adsorption of hydrogen in palladium starting from an adsorption site, by using sequences of infrared laser pulses in a laser distillation scheme.},
  language  = {en}
}
@article{KleinpeterBoelkeFrank2008,
  author    = {Kleinpeter, Erich and B{\"o}lke, Ute and Frank, Andrea},
  title     = {Polar substituent effect of the ester group on conformational equilibria of O-mono-substituted cyclohexanes{\`u}the para-substituent effect in cyclohexyl benzoates},
  doi       = {10.1016/j.tet.2008.07.024},
  year      = {2008},
  abstract  = {Together with the nonsubstituted reference compound, para-methoxy- and para-nitro cyclohexyl benzoates have been synthesized and their conformational equilibria studied by low temperature NMR spectroscopy and theoretical DFT calculations. The free energy differences ;G° between axial and equatorial conformers were examined with respect to polar substituent influences on the conformational equilibrium of O-mono-substituted cyclohexane.},
  language  = {en}
}
@article{HeydenreichKochSzatmarietal.2008,
  author    = {Heydenreich, Matthias and Koch, Andreas and Szatm{\´a}ri, Istv{\´a}n and Fulop, Ferenc and Kleinpeter, Erich},
  title     = {Synthesis and conformational analysis of naphth[1,2-e][1,3]oxazino[4,3-a][1,3]isoquinoline and naphth[2,1- e][1,3]oxazino[4,3-a]isoquinoline derivatives},
  doi       = {10.1016/j.tet.2008.05.025},
  year      = {2008},
  abstract  = {Through the cyclization of 1-(;-hydroxynaphthyl)-1,2,3,4-tetrahydroisoquinoline and 1-(;- hydroxynaphthyl)-1,2,3,4-tetrahydroisoquinoline with formaldehyde, phosgene, p-nitrobenzaldehyde or p-chlorophenyl isothiocyanate, 8-substituted 10,11-dihydro-8H,15bH-naphth[1,2-e][1,3]oxazino[4,3-a]isoquinolines (3 and 4) and 10,11- dihydro-8H,15bH-naphth[2,1-e][1,3]oxazino[4,3-a]isoquinolines (15 and 16) were prepared. Conformational analysis of both the piperidine and the 1,3-oxazine moieties of these heterocycles by NMR spectroscopy and an accompanying theoretical study revealed that these two conformationally flexible six-membered ring moieties prefer twisted chair conformers.},
  language  = {en}
}
@article{StarkeFuerstenbergMuelleretal.2006,
  author    = {Starke, Ines and F{\"u}rstenberg, Sylvia and M{\"u}ller, Holger and Holdt, Hans-J{\"u}rgen and Kleinpeter, Erich},
  title     = {Electrospray mass spectrometric studies of the complexational behavior of maleonitrile thiacrown ethers with various metals},
  doi       = {10.1002/Rcm.2384},
  year      = {2006},
  abstract  = {Electrospray ionization was employed to study the mass spectrometric behavior of the maleonitrile tetrathiacrown ethers mn12S(4) (1) and mn13S(4) (2) and maleonitrile pentathiacrown ether mn15S(5) (3) and of their complexes with various metal salts (MX2, M=Pd, Pt, Ni, Co, Fe; X=Cl, CrCl3, Ni(BF4)(2), TIPF6 or Cd(NO3)(2)) and Cu(SO3CF3)(2). Both singly charged, [MXL](+) and [MXL2]+, and doubly charged complexes, [MLn](2+) (n = 2-5), were observed. The formation of the different complexes consisting of the transition metal ion, the counterion and the various crown ethers and their subsequent dissociation was also studied by collision-induced dissociation measurements which were also used to evaluate the relative stabilities of the complexes. It was found that the collisional voltages for the dissociation of the complexes were generally greater in the [MXL](+) complexes than in the corresponding [MXL2]+ complexes. Copyright (c) 2006 John Wiley \& Sons, Ltd},
  language  = {en}
}
@article{KleinpeterSchulenburg2006,
  author    = {Kleinpeter, Erich and Schulenburg, Anja},
  title     = {Quantification of the push-pull effect in tolanes and a revaluation of the factors affecting the C-13 chemical shifts of the carbon atoms of the C=C triple bond},
  issn      = {0022-3263},
  doi       = {10.1021/Jo060199j},
  year      = {2006},
  abstract  = {Variously substituted tolanes were employed to show that the push-pull effect is also active in C equivalent to C triple bonds by the successful correlation of the occupation quotient pi*/pi of the pi orbital in resonance with the substituted phenyl moieties of tolanes versus the bond length of the C equivalent to C triple bond. In addition, the influences of the ortho phenyl ring substituents on the C-13 chemical shifts of the triple bond carbon atoms, which were estimated by Rubin et al.(4) to be "inapplicable for describing triple bond polarization", were re-evaluated, leading to the conclusion that, while anisotropic effects of ortho substituents are negligible, the steric ortho-substituent effects do in fact dominate the deviations obtained. A detailed theoretical NBO/NCS study has been employed to illuminate the facts of this case},
  language  = {en}
}
@article{GarnierLaschewsky2006,
  author    = {Garnier, Sebastien and Laschewsky, Andr{\´e}},
  title     = {New amphiphilic diblock copolymers : surfactant properties and solubilization in their micelles},
  issn      = {0743-7463},
  doi       = {10.1021/La0600595},
  year      = {2006},
  abstract  = {Several series of amphiphilic diblock copolymers are investigated as macrosurfactants in comparison to reference low-molar-mass and polymeric surfactants. The various copolymers share poly(butyl acrylate) as a common hydrophobic block but are distinguished by six different hydrophilic blocks (one anionic, one cationic, and four nonionic hydrophilic blocks) with various compositions. Dynamic light scattering experiments indicate the presence of micelles over the whole concentration range from 10(-4) to 10 g(.)L(-1). Accordingly, the critical micellization concentrations are very low. Still, the surface tension of aqueous solutions of block copolymers decreases slowly but continuously with increasing concentration, without exhibiting a plateau. The longer the hydrophobic block, the shorter the hydrophilic block, and the less hydrophilic the monomer of the hydrophilic block is, the lower the surface tension is. However, the effects are small, and the copolymers reduce the surface tension much less than standard low-molar-mass surfactants. Also, the copolymers foam much less and even act as anti-foaming agents in classical foaming systems composed of standard surfactants. The copolymers stabilize O/W emulsions made of methyl palmitate as equally well as standard surfactants but are less efficient for O/W emulsions made of tributyrine. However, the copolymer micelles exhibit a high solubilization power for hydrophobic dyes, probably at their core-corona interface, in dependence on the initial geometry of the micelles and the composition of the block copolymers. Whereas micelles of copolymers with strongly hydrophilic blocks are stable upon solubilization, solubilization-induced micellar growth is observed for copolymers with moderately hydrophilic blocks},
  language  = {en}
}
@article{KlinkaBalentovaBernatetal.2006,
  author    = {Klinka, Karel D. and Balentova, Eva and Bern{\´a}t, Juraj and Imrich, Jan and Vavrusova, Martina and Kleinpeter, Erich and Pihlaja, Kalevi and Koch, Andreas},
  title     = {Tautomerism, regioisomerism, and cyclization reactions of acridinyl thiosemicarbazides},
  issn      = {0022-152X},
  doi       = {10.1002/jhet.5570430317},
  year      = {2006},
  abstract  = {The regioselectivities of methyl- and phenylhydrazine with acridin-9-yl isothiocyanate (thus yielding thiosemicarbazides with acridine substituted on the urea-type side) were examined. Methythydrazine regioselectivity was high with the alpha-nitrogen atom overwhelmingly more nucleophilic than the beta-nitrogen atom; phenylhydrazine regioselectivity was poor but varied with the solvent and only in the case of ethanol was nucleophilic predominance of the alpha-nitrogen atom pronounced. Of note, whilst both phenyl thiosemicarbazides were present in solution only as spiro forms, the methyl product was present as an equilibrium mixture of open-chain and spiro thiosemicarbazides. Reactions on the NH2 blocked analogue of methyl acridin-9-ylthiosemicarbazide (1-isopropylidene-2- methylthiosemicarbazide) were also examined. Interestingly, present in the starting material itself was a structural motif of novelty wherein a triazolethione represented the major species of an equilibrium between cyclic and open-chain forms},
  language  = {en}
}
@article{SchildeErkKleinpeter2006,
  author    = {Schilde, Uwe and Erk, {\c{C}}akil and Kleinpeter, Erich},
  title     = {The crystal and molecular structures of sodium and barium complexes of dibenzo-24-crown-8 ether},
  doi       = {10.1524/zkri.2006.221.3.231},
  year      = {2006},
  abstract  = {The sodium and barium isothiocyanate complexes of 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n]- 1,4,7,10,13,16,19,22-octaoxacyclotetracosin (dibenzo-24-crown-8 ether = DB24C8) were synthesized and analyzed by X-ray diffraction. The sodium complex, [Na(DB24C8)(NCS)(H2O)] 1, crystallizes in the orthorhombic space group Fdd2 with 16 molecules in the unit cell. The coordination number of Na is 6 and the central ion is located in a distorted octahedric environment. Only four of the crown ether oxygen atoms are involved. The coordination polyhedron is completed by the isothiocanate anion and by a water molecule, which is stabilized by hydrogen bonds. The barium complex, [Ba(DB24C8)(NCS)(2)] 2, crystallizes in the trigonale space group P3(1)21 with 3 molecules in the unit cell. Crystallographic C-2 symmetry is observed for the complex. The coordination number of Ba is 10. Barium is coordinated with the eight oxygen atoms of the macrocyclic ligand and with two isothiocyanate anions. The absolute structure was estimated using the FLACK parameter},
  language  = {en}
}
@article{WalzBaumannKrachetal.2006,
  author    = {Walz, Bernd and Baumann, Otto and Krach, Christian and Baumann, Arnd and Blenau, Wolfgang},
  title     = {The aminergic control of cockroach salivary glands},
  year      = {2006},
  abstract  = {The acinar salivary glands of cockroaches receive a dual innervation from the subesophageal ganglion and the stomatogastric nervous system. Acinar cells are surrounded by a plexus of dopaminergic and serotonergic varicose fibers. In addition, seroton-ergic terminals lie deep in the extracellulor spaces between acinar cells. Excitation-secretion coupling in cockroach salivary glands is stimulated by both dopamine and serotonin. These monoamines cause increases in the intracellular concentrations of cAMP and Ca2+. Stimulation of the glands by serotonin results in the production of a protein-rich saliva, whereas stimulation by dopamine results in saliva that is protein-free. Thus, two elementary secretary processes, namely electrolyte/water secretion and protein secretion, are triggered by different aminergic transmitters. Because of its simplicity and experimental accessibility, cockroach salivary glands have been used extensively as a model system to study the cellular actions of biogenic amines and to examine the pharmacological properties of biogenic amine receptors. In this review, we summarize current knowledge concerning the aminergic control of cockroach salivary glands and discuss our efforts to characterize Periplaneta biogenic amine receptors molecularly},
  language  = {en}
}
@article{KammKammSchmidtetal.2006,
  author    = {Kamm, Birgit and Kamm, Michael and Schmidt, Matthias and Starke, Ines and Kleinpeter, Erich},
  title     = {Chemical and biochemical generation of carbohydrates from lignocellulose-feedstock (Lupinus nootkatensis) : quantification of glucose},
  issn      = {0045-6535},
  doi       = {10.1016/j.chemosphere.2005.03.073},
  year      = {2006},
  abstract  = {Different chemical and enzymatic methods were applied for the hydrolysis of main stems from Lupinus nootkatensis (harvest November 2002). The whole process (all steps) is based on the lignocellulose-feedstock biorefinery regime. The acid hydrolysis of L. was performed with concentrated hydrochloric acid; advantages in this process are exothermic hydrolysis and the possibility of acid recovery. Enzymatic hydrolysis achieved high yields of fermentable carbohydrates (regarding to input cellulose) with high selectivity. However, this way requires the generation of cellulose from L. by chemical pulping. Monosaccharide derivatives thus obtained were identified by their GC retention times and the corresponding MS fragmentation. Hexamethyldisilazane was used as derivatization reagent to prepare the trimethylsilyl derivatives of the carbohydrates and of the degradations products of cellulose from the different fractions. The glucose content was quantified by GC peak integration with respect to an internal standard.},
  language  = {en}
}
@article{RasovicSteelKleinpeteretal.2007,
  author    = {Rasovic, Aleksandar and Steel, Peter J. and Kleinpeter, Erich and Markovic, Rade},
  title     = {Regioselective synthesis of 1,3-thiazines by sequential 4-oxothiazolidine to 1,2-dithiole to 1,3-thiazine transformations : role of intramolecular non-bonded S...O interactions},
  doi       = {10.1016/j.tet.2006.12.075},
  year      = {2007},
  abstract  = {A new synthetic approach to 2,3-dihydro-4H-1,3-thiazine derivatives based upon reductive rearrangement of 1,2- dithiole-3-ylidene thiones has been developed. In turn, the 1,2-dithiole derivatives were prepared by an efficient ring- opening-closing process of 2-alkylidene-4-oxothiazolidines, induced in the presence of Lawesson's reagent by intramolecular non-bonded 1,5-type S...O interactions in the 4-oxothiazolidine precursors.},
  language  = {en}
}
@article{DelormeDuboisGarnieretal.2006,
  author    = {Delorme, Nicolas and Dubois, Monique and Garnier, Sebastien and Laschewsky, Andr{\´e} and Weinkamer, Richard and Zemb, Thomas and Fery, Andreas},
  title     = {Surface immobilization and mechanical properties of catanionic hollow faceted polyhedrons},
  issn      = {1520-1758},
  doi       = {10.1021/Jp054473+},
  year      = {2006},
  abstract  = {We report here for the first time on surface immobilization of hollow faceted polyhedrons formed from catanionic surfactant mixtures. We find that electrostatic interaction with the substrate dominates their adhesion behavior. Using polyelectrolyte coated surfaces with tailored charge densities, polyhedrons can thus be immobilized without complete spreading, which allows for further study of their mechanical properties using AFM force measurements. The elastic response of individual polyhedrons can be locally resolved, showing pronounced differences in stiffness between faces and vertexes of the structure, which makes these systems interesting as models for structurally similar colloidal scale objects such as viruses, where such effects are predicted but cannot be directly observed due to the smaller dimensions. Elastic constants of the wall material are estimated using shell and plate deformation models and are found to be a factor of 5 larger than those for neutral lipidic bilayers in the gel state. We discuss the molecular origins of this high stiffness},
  language  = {en}
}
@article{XieJelicicWangetal.2010,
  author    = {Xie, Zai-Lai and Jelicic, Aleksandra and Wang, Feipeng and Rabu, Pierre and Friedrich, Alwin and Beuermann, Sabine and Taubert, Andreas},
  title     = {Transparent, flexible, and paramagnetic ionogels based on PMMA and the iron-based ionic liquid 1-butyl-3- methylimidazolium tetrachloroferrate(III) [Bmim][FeCl4]},
  issn      = {0959-9428},
  doi       = {10.1039/C0jm01733g},
  year      = {2010},
  abstract  = {The iron-containing ionic liquid (IL) 1-butyl-3-methylimidazolium tetrachloroferrate(III) [Bmim][FeCl4] has been used as a building block in the synthesis of transparent, ion-conducting, and paramagnetic ionogels. UV/Vis spectroscopy shows that the coordination around the Fe(III) ion does slightly change upon incorporation of the IL into PMMA. The thermal stability of the PMMA increases significantly with IL incorporation. In particular, the onset weight loss observed at ca. 265 degrees C for pure PMMA is completely suppressed. The ionic conductivity shows a strong temperature dependence and increases with increasing IL weight fractions. The magnetic properties are similar to those reported for the pure IL and are not affected by the incorporation into the PMMA matrix. The resulting ionogel is thus an interesting prototype for soft, flexible, and transparent materials combining the mechanical properties of the matrix with the functionality of the metal-containing IL, such as magnetism.},
  language  = {en}
}
@article{BeitzLaudienLoehmannsroebenetal.2006,
  author    = {Beitz, Toralf and Laudien, Robert and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Kallies, Bernd},
  title     = {Ion mobility spectrometric investigation of aromatic cations in the gas phase},
  issn      = {1089-5639},
  doi       = {10.1021/Jp055335n},
  year      = {2006},
  abstract  = {In this work, ion mobility (IM) spectra of more than 50 aromatic compounds were recorded with a laser-based IM spectrometer at atmospheric pressure. IM spectra of PAH in the laser desorption experiment show a high complexity resulting from the occurrence of monomeric, dimeric, and oligomeric cluster ions. The mobilities of all compounds were determined in helium as drift gas. This allows the calculation of the diffusion cross sections (Omega(calc)) on the basis of the exact hard sphere scattering model and their comparison with the experimentally determined diffusion cross sections (Omega(exp)). Extended Omega(exp)/Omega(calc) and Omega(exp/)mass correlations were performed in order to gain insight into conformational properties of cationic alkyl benzenes and internal rotation of phenyl rings in aromatic ions. This is demonstrated with some examples, such as the evaluation of the dihedral angle of the ions of 9,10- diphenylanthracene, o- and m-terphenyl, and 1,2,3- and 1,3,5-triphenylbenzene. Furthermore, sandwich and T-structures of dimeric PAH cations are discussed. The analysis was extended to oligomeric ions with up to nine monomer units. Experimental evidence is presented suggesting the formation of pi-stacks with a transition toward modified pi-stacks with increasing cluster size. The distance between monomeric units in dimeric and oligomeric ions was obtained},
  language  = {en}
}
@article{KleinpeterRollaKochetal.2006,
  author    = {Kleinpeter, Erich and Rolla, Nadja and Koch, Andreas and Taddei, Fernando},
  title     = {Hyperconjugation and the increasing bulk of OCOCX3 substituents in trans-1,4-disubstituted cyclohexanes destabilize the diequatorial conformer},
  issn      = {4393-4399},
  doi       = {10.1021/Jo0600858},
  year      = {2006},
  abstract  = {The trans diesters of 1,4-cyclohexanediol with a number of acetic acid analogues, CX3COOH, of varying steric hindrance and polarity (CX3 = Me, Et, iso-Pr, tert-Bu, CF3, CH2Cl, CHCl2, CCl3, CH2Br, CHBr2, CBr3) were synthesized, and the axial, axial/equatorial, equatorial conformational equilibria were studied by low-temperature H-1 NMR spectroscopy in CD2Cl2. The structures and relative energies of the axial, axial and equatorial, equatorial conformers were calculated at both the MP2/6-311G* and the MP2/6-311+G* levels of theory, and it was only by including diffuse functions that a good correlation of Delta G degrees(calcd) vs Delta G(exptl) could be obtained. Both the structures and the energy differences of the axial, axial and equatorial, equatorial conformers are discussed with respect to the established models of conformational analysis, viz., steric 1,3-diaxial and hyperconjugative interactions. Interestingly, the hyperconjugative interactions sigma(C-C)/sigma(C-H)->sigma*(C-O), together with a steric effect which also destabilizes the equatorial, equatorial conformers on increasing bulk of the substituents, proved to dominate the position of the conformational equilibria. In addition, the preference of the axial, axial conformers with respect to their equatorial, equatorial analogues was greater than expected from the conformational energies of the corresponding substituents in the monosubstituted cyclohexyl esters. The reason for this very interesting and unexpected result is also discussed},
  language  = {en}
}
@phdthesis{Robertson2006,
  author    = {Robertson, Daniela},
  title     = {Polymermodifizierte Phospholipid : Vesikel als neuartige Templat-Phase},
  address   = {Potsdam},
  pages     = {129 Bl. : Ill., graph. Darst.},
  year      = {2006},
  language  = {de}
}
@phdthesis{Holzberger2006,
  author    = {Holzberger, Anja},
  title     = {Bestimmung der Konformationen und der Komplexbildungstendenzen von Kronenverbindungen in L{\"o}sung unter kombiniertem Einsatz von Kernmagnetischer Resonanzspektriskopie und Molecular Modelling},
  address   = {Potsdam},
  pages     = {90 S. : graph. Darst.},
  year      = {2006},
  language  = {de}
}
@phdthesis{Nest2007,
  author    = {Nest, Mathias},
  title     = {Quantum dynamics for large systems: System-bath type situations and correlated dynamics of many electrons},
  address   = {Potsdam},
  pages     = {176 S., I-V, graph. Darst.},
  year      = {2007},
  language  = {en}
}
@phdthesis{Lutter2007,
  author    = {Lutter, Stefanie},
  title     = {Polymermodifizierte Mikroemulsionen als Pr{\"a}gematrix f{\"u}r die Nanopartikelbildung},
  address   = {Potsdam},
  pages     = {x, 132, XIII S.: Ill., graph. Darst.},
  year      = {2007},
  language  = {de}
}
@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{YonedaLealSeidletal.2007,
  author    = {Yoneda, Julliane Diniz and Leal, Katia Zaccur and Seidl, Peter Rudolf and Azeredo, Rodrigo Bagueira de V. and Kleinpeter, Erich},
  title     = {Camphor : a good model for illustrating NMR techniques},
  year      = {2007},
  abstract  = {CAMPHOR: A GOOD MODEL FOR ILLUSTRATING NMR TECHNIQUES. The use of Nuclear Magnetic Resonance spectroscopy to establish the three-dimensional structures of molecules is an important component of modern Chemistry courses. The combination of techniques that can be used for this purpose is conveniently illustrated by their application to the camphor molecule. This paper presents applications of several techniques used in NMR spectral interpretation in an increasing order of complexity. The result of individual experiments is illustrated in order to familiarize the user with the way connectivity through bonds and through space is established from 1D/2D-NMR spectra and molecular stereochemistry is determined from different NMR experiments},
  language  = {en}
}
@article{ModarresiAlamKhamooshiRostamizadehetal.2007,
  author    = {Modarresi-Alam, Ali Reza and Khamooshi, Ferydoon and Rostamizadeh, Mohsen and Keykha, Hossein and Nasrollahzahdeh, Mahmoud and Bijanzadeh, Hamid-Reza and Kleinpeter, Erich},
  title     = {Dynamic 1H NMR spectroscopic study of the restricted S-N rotation in aryl-N-(arylsulfonyl)-N- (triphenylphosphoranylidene)imidocarbamates},
  year      = {2007},
  abstract  = {Dynamic 1H NMR (500 MHz) investigation of aryl-N-(arylsulfonyl)-N-(triphenylphosphoranylidene)imidocarbamates in CDCl3, CD3COCD3, and CD3OD at the temperature range of 183-298 K is reported. The observed free energy barriers (almost 12 kcal mol;1) are attributed to conformational isomerization about the N{\`u}S bond and these barriers show very little solvent dependence.},
  language  = {en}
}
@article{ModarresiNajafiRostamizadehetal.2007,
  author    = {Modarresi, Ali Reza and Najafi, Parisa and Rostamizadeh, Mohsen and Keykha, Hossein and Bijanzadeh, Hamid-Reza and Kleinpeter, Erich},
  title     = {Dynamic 1H NMR study of the barrier to rotation about the C-N bond in primary carbamates and its solvent dependence},
  year      = {2007},
  abstract  = {The dynamic 1H NMR study of some primary carbamates in the solvents CDCl3 and CD3COCD3 between 183 and 298 K is reported. The free energies of activation, thus obtained (12.4 to 14.3 kcal mol-1), were attributed to the conformational isomerization about the N-C bond. These barriers to rotation show solvent dependence in contrast to the tertiary analogues and are lower in free energy by ca. 2-3 kcal mol-1.},
  language  = {en}
}
@phdthesis{Kaper2007,
  author    = {Kaper, Helenea},
  title     = {Structure control of nanoscaled inorganic matter by ionic liquids},
  address   = {Potsdam},
  pages     = {138 S. : Ill., graph. Darst.},
  year      = {2007},
  language  = {en}
}
@phdthesis{Kulkarni2007,
  author    = {Kulkarni, Amit Narahari},
  title     = {Degradation kinetics studies of polymers for biomedical applications},
  address   = {Potsdam},
  pages     = {vi, 144, viii S. : graph. Darst.},
  year      = {2007},
  language  = {en}
}
@phdthesis{EntrialgoCastano2007,
  author    = {Entrialgo Castano, Maria},
  title     = {Hydrolytic degradation of aliphatic polyester: molecular modeling and quantum mechanical investigations},
  address   = {Potsdam},
  pages     = {141 S. : graph. Darst.},
  year      = {2007},
  language  = {en}
}
@phdthesis{Stocco2007,
  author    = {Stocco, Antonio},
  title     = {Amphiphilic block copolymers at the liquid-fluid interface, invesrigated by evanescent light scattering and ellipsometry},
  address   = {Potsdam},
  pages     = {iii, 108 S. : Ill., graph. Darst.},
  year      = {2007},
  language  = {en}
}
@phdthesis{You2007,
  author    = {You, Liangchen},
  title     = {Synthesis and characterization of novel glycopolymers},
  address   = {Potsdam},
  pages     = {116 S. : graph. Darst.},
  year      = {2007},
  language  = {en}
}
@phdthesis{Sel2007,
  author    = {Sel, {\"O}zlem},
  title     = {Hierarchical meso- and macropore architectures by liquid crystalline and polymer colloid templating},
  address   = {Potsdam},
  pages     = {105, VXI S. : graph. Darst.},
  year      = {2007},
  language  = {en}
}
@phdthesis{Baier2007,
  author    = {Baier, Jennifa},
  title     = {Polyelektrolyt-modifizierte w/o-Mikroemulsionen als Templatphase f{\"u}r die Nanopartikelbildung},
  address   = {Potsdam},
  pages     = {VI, 137 Bl. : graph. Darst.},
  year      = {2007},
  language  = {de}
}
@phdthesis{Frankovitch2007,
  author    = {Frankovitch, Christine Marie},
  title     = {Optical methods for monitoring biological parameters of phototropic microorganisms during cultivation},
  address   = {Potsdam},
  pages     = {iii, 95 S. : graph. Darst.},
  year      = {2007},
  language  = {en}
}
@phdthesis{Krause2007,
  author    = {Krause, Pascal},
  title     = {Many-electron dynamics in molecules by means of time-dependent configuration interaction methods},
  address   = {Potsdam},
  pages     = {III, 107 S. : graph. Darst.},
  year      = {2007},
  language  = {en}
}
@book{KoetzKosmella2007,
  author    = {Koetz, Joachim and Kosmella, Sabine},
  title     = {Polyelectrolytes and nanoparticles},
  series = {Springer laboratory manuals in polymer science},
  journal   = {Springer laboratory manuals in polymer science},
  publisher = {Springer-Verlag},
  address   = {Heidelberg},
  isbn      = {3-540-46381-X},
  pages     = {105 S.},
  year      = {2007},
  language  = {en}
}
@article{SchwarzeDoscheFlehretal.2010,
  author    = {Schwarze, Thomas and Dosche, Carsten and Flehr, Roman and Klamroth, Tillmann and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Saalfrank, Peter and Cleve, Ernst and Buschmann, Hans-J{\"u}rgen and Holdt, Hans-J{\"u}rgen},
  title     = {Combination of a CT modulated PET and an intramolecular excimer formation to quantify PdCl2 by large fluorescence enhancement},
  issn      = {1359-7345},
  doi       = {10.1039/B919973j},
  year      = {2010},
  abstract  = {The [6.6](9,10)anthracenophane 1 (Scheme 1) is a selective fluoroionophore for the detection of PdCl2 with a large fluorescence enhancement factor (I/I-0 > 250).},
  language  = {en}
}
@article{KleinpeterStamboliyska2008,
  author    = {Kleinpeter, Erich and Stamboliyska, Bistra A.},
  title     = {Quantification of the Push-Pull Character of Donor-Acceptor Triazenes},
  doi       = {10.1021/Jo8013758},
  year      = {2008},
  abstract  = {The Push-pull character of two series of donor-acceptor triazenes has been quantified by C-13 and N-15 chemical shift differences of the partial N(1)=N(2) and N(3)=C(4) double bonds in the central linking C=N-N=N-C unit and by the quotient of the occupations of both the bonding pi and antibonding orbitals pi* of these partial double bonds. Excellent correlations of the two estimates, to quantify the push-pull effect, with the bond lengths strongly recommend the occupation quotients pi*/pi, the N-15 chemical shift differences Delta delta[N(l),N(2)], and the corresponding bond lengths as reasonable sensors for quantifying charge alternation along the C=N-N=N-C linking unit, for the donor- acceptor quality of the triazenes 1 and 2 and for the molecular hyperpolarizability beta(0) of these compounds. Within this context, certain Substances can be strongly recommended for NLO application.},
  language  = {en}
}
@article{KlikaKramerKleinpeter2009,
  author    = {Klika, Karel D. and Kramer, Markus and Kleinpeter, Erich},
  title     = {DFT computational studies of hydrogen bonding-based diastereomeric complexes : limitations and applications to enantiodifferentiation},
  issn      = {0166-1280},
  doi       = {10.1016/j.theochem.2009.08.003},
  year      = {2009},
  abstract  = {Molecular modeling calculations using DFT at the B3LYP/6-31G(d,p) level of theory have been performed on diastereomeric complexes formed between chiral carboxylate anions and chiral urea receptors, a combination previously demonstrated to enable enantiodifferentiation by electrochemical sensing. The calculations correctly predicted the stability order of the enantiomers in acetonitrile solution when the distinction between the enantiomers was above the declared threshold reliability value of 1 kcal mol;1 for computations at this level of theory. Thus, the calculations can not only be applied to predict the likely success of undertakings using the analytical method, it can also, provided ;E is sufficient, potentially be used to determine the absolute configuration of chiral analytes with at least the racemate in hand. The previously successful enantiodifferentiations of various amino acids and alcohols using chiral ion mobility spectroscopy (CIMS) with (S)-2-butanol as the chiral selector were also evaluated by DFT calculations. The calculations again correctly predicted the stability order of the enantiomers when the calculated ;E was above the threshold value though cases not providing a value for ;E above the threshold value was problematic for this system. Attempts to address this shortcoming included an expanded conformational evaluation, a broader analytical approach, and an extended basis set.},
  language  = {en}
}
@article{LippoldEidnerLippmannPipke2009,
  author    = {Lippold, Holger and Eidner, Sascha and Lippmann-Pipke, Johanna},
  title     = {Kinetic effects in the complexation of radionuclides with humic substances in the presence of Fe(III) and Al(III)},
  issn      = {0016-7037},
  doi       = {10.1016/j.gca.2009.05.010},
  year      = {2009},
  language  = {en}
}
@phdthesis{Schwarz2008,
  author    = {Schwarz, Guntram},
  title     = {Charakterisierung von Eigenschaften und Struktur Metallo-supramolekularer Funktionseinheiten},
  address   = {Potsdam},
  pages     = {155 S., : graph. Darst.},
  year      = {2008},
  language  = {de}
}
@phdthesis{Yagci2008,
  author    = {Yagci, Yavuz Emre},
  title     = {Synthesis of poly(tartar amide)s and poly-(gluco amide)s as antifreeze additives},
  address   = {Potsdam},
  pages     = {86 S., ii-vi, : graph. Darst.},
  year      = {2008},
  language  = {en}
}
@phdthesis{HordyjewiczBaran2008,
  author    = {Hordyjewicz-Baran, Zofia},
  title     = {Synthesis and Study of the Aggregation Behavior of Hydrophilically Modified Polybutadienes},
  address   = {Potsdam},
  pages     = {101 S., : graph. Darst.},
  year      = {2008},
  language  = {en}
}
@phdthesis{Stark2008,
  author    = {Stark, Arne Henning},
  title     = {CCD based ellipsometric light scattering},
  address   = {Potsdam},
  pages     = {99 S., vi-xv, : graph. Darst.},
  year      = {2008},
  language  = {en}
}
@phdthesis{Lutter2008,
  author    = {Lutter, Stefanie},
  title     = {Polymermodofizierte Mikroemulsionen als Pr{\"a}gematrix f{\"u}r die Nanopartikelbildung},
  address   = {Potsdam},
  pages     = {132 S., Anhang I-XIII, : graph. Darst.},
  year      = {2008},
  language  = {de}
}
@article{ShainyanUshakovMeshcheryakovetal.2008,
  author    = {Shainyan, Bagrat A. and Ushakov, Igor A. and Meshcheryakov, Vladimir I. and Koch, Andreas and Kleinpeter, Erich},
  title     = {Variable temperature NMR and theoretical study of the stereodynamics of 5-trifluoromethylsulfonyl-1,3,5- dioxaazinane : Perlin effect subject to heteroatom substitution},
  year      = {2008},
  abstract  = {Multinuclear dynamic NMR spectroscopy of 5-trifluoromethylsulfonyl-1,3,5-dioxaazinane (4) revealed the existence of two close in energy chair conformers with differently oriented CF3 groups with respect to the ring. Of the two alternative routes for their interconversion, the ring inversion path with intermediate formation of the corresponding 2,5-twist-conformer is preferred, with the energy barrier of 11.2 kcal/mol in excellent agreement with the experimental value (11.7 kcal/mol). The Perlin effect is studied experimentally and calculated theoretically for all CH2 groups and found to be subject to the nature of the adjacent heteroatoms O and N, respectively.},
  language  = {en}
}
@phdthesis{Stark2008,
  author    = {Stark, Arne Henning},
  title     = {CCD based ellipsometric light scattering},
  pages     = {xv, 99, XVI S.: Ill., graph. Darst.},
  year      = {2008},
  language  = {en}
}
@phdthesis{HordyjewiczBaran2008,
  author    = {Hordyjewicz-Baran, Zofia},
  title     = {Synthesis and study of the aggregation behavior of hydrophilically modified polybutadienes},
  address   = {Potsdam},
  pages     = {101 S.: Ill., graph. Darst.},
  year      = {2008},
  language  = {en}
}
@phdthesis{Biernat2008,
  author    = {Biernat, Anne},
  title     = {Synthese seltener Kohlenhydrate unter Verwendung der ringschließenden Olefinmetathese},
  address   = {Potsdam},
  pages     = {174 S.: graph. Darst.},
  year      = {2008},
  language  = {de}
}
@phdthesis{Schwarz2008,
  author    = {Schwarz, Guntram},
  title     = {Charakterisierung von Eigenschaften und Struktur Metallo-supramolekularer Funktionseinheiten},
  address   = {Potsdam},
  pages     = {156 S.: Ill., garph. Darst.},
  year      = {2008},
  language  = {de}
}
@phdthesis{Yagci2008,
  author    = {Yagci, Yavuz Emre},
  title     = {Synthesis of poly(tartar amide)s and poly-(gluco amide)s as antifreeze additives},
  address   = {Potsdam},
  pages     = {vi, 86 S.: Ill., graph. Darst.},
  year      = {2008},
  language  = {en}
}
@phdthesis{Wacker2008,
  author    = {Wacker, Philipp},
  title     = {Konformationsanalyse meso-substituierter Porphyrine mittels NMR-Spektroskopie und quantenchemischer Berechnungen},
  address   = {Potsdam},
  pages     = {112 S., A36: Ill., graph. Darst.},
  year      = {2008},
  language  = {de}
}
@article{OPUS4-10769,
  title     = {Synthesis and conformational analysis of phenyl-substituted 1,3,2-oxazaphosphino[4,3-a]- and 1,2,3- oxathiazino[4,3-a]isoquinolines},
  year      = {2008},
  abstract  = {Through the ring closures of tetrahydroisoquinoline 1,3-amino alcohols bearing a phenyl group in the side- chain, diastereomers of novel 1- or 2-phenyl-substituted 1,3,2-oxazaphosphino[4,3-a]isoquinoline 4-oxides, and 1,2,3- oxathiazino[4,3-a]isoquinoline 4-oxides and 4,4-dioxides were prepared. NMR analysis and DFT calculations on the prepared tetrahydroisoquinoline-condensed 1,2,3-heterocycles revealed that their conformational equilibria of cis1-trans-cis2 type are influenced by the relative configuration of P-4 in the 1,3,2-oxazaphosphinanes, and by the position of the phenyl group in the 1,2,3-oxathiazines.},
  language  = {en}
}
@article{KleinpeterKochShainyan2008,
  author    = {Kleinpeter, Erich and Koch, Andreas and Shainyan, Bagrat A.},
  title     = {Cyclobutadiene dianion derivatives : Planar 4c,6e or three-dimensional 6c,6e aromaticity?},
  doi       = {10.1016/j.theochem.2008.05.027},
  year      = {2008},
  abstract  = {The spatial magnetic properties (Through Space NMR Shieldings - TSNMRS) of two cyclobutadiene derivatives (2 and 5) and of a number of cyclobutadiene dianion derivatives (3, 4 and 6-8) have been calculated by the GIAO perturbation method employing the Nucleus-Independent Chemical Shift (NICS) concept of P. v. Ragu{\´e} Schleyer, and visualized as Iso-Chemical-Shielding Surfaces (ICSS) of various size and direction. TSNMRS values can be successfully employed to quantify and visualize the (anti)aromaticity of the compounds studied and to discuss the influence of Li+ complexation to cyclobutadiene dianion (4a, 7 and 8) on planar 4c,6e or three-dimensional 6c,6e aromaticity.},
  language  = {en}
}
@article{BaranacStojanovicTatarKleinpeteretal.2008,
  author    = {Baranac-Stojanovic, Marija and Tatar, Jovanan and Kleinpeter, Erich and Markovic, Rade},
  title     = {High-Yield Synthesis of Substituted and Unsubstituted Pyridinium Salts Containing a 4-Oxothiazolidine Moiety},
  year      = {2008},
  abstract  = {A new series of unsubstituted and substituted pyridinium salts bearing a 4-oxothiazolidinyl moiety has been prepared by an efficient rearrangement of 2-(1-bromoalkylidene)thiazolidin-4-ones. The process in based on three steps, namely carbon-bromine cleavage, bromine transfer, and substitution, each induced by pyridine or its derivatives, acting as base and reactant.},
  language  = {en}
}
@article{ShainyanUshakovTolstikovaetal.2008,
  author    = {Shainyan, Bagrat A. and Ushakov, Igor A. and Tolstikova, Ljudmila L. and Koch, Andreas and Kleinpeter, Erich},
  title     = {N-Trifyl substituted 1,4-diheterocyclohexanes{\`u}stereodynamics and the Perlin effect},
  year      = {2008},
  abstract  = {The stereodynamic behaviour of 1-(trifluoromethylsulfonyl)piperidine 1, 4-(trifluoromethylsulfonyl)morpholine 2, 1,4-bis(trifluoromethylsulfonyl)piperazine 3 and 4-(trifluoromethylsulfonyl)thiomorpholine 1,1-dioxide 4 was studied by low-temperature 1H, 13C and 19F NMR spectroscopies. In acetone solution, compounds 1, 2 and 4 were found to exist as mixtures of two conformers in the ratio of 4:1, 4:1 and 8:1, respectively, differing by orientation of the CF3 group with respect to the ring. Compound 3 exists as a mixture of three conformers in the ratio of 3:28:69 also differing by the orientation of the two CF3 groups. Unlike the previously studied N-trifyl substituted 1,3,5-triheterocyclohexanes, the preferred conformers of compound 1 and of 1,4-diheterocyclohexanes 2-4 are those with the CF3 group directed outward from the ring, which is caused by intramolecular interactions of the oxygen atoms of the CF3SO2N groups with the equatorial hydrogens in the ;-position. B3LYP/6-311+G(d,p) calculations of the energy, geometry and NMR parameters corroborate the experimental data. The calculated Perlin effects for all conformers of compounds 1-4 as well as those measured for the major conformers of compounds 3 and 4 were analyzed by the use of the NBO analysis.},
  language  = {en}
}
@article{KleinpeterKoch2008,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {Trisannelated benzenes - Aromatic molecules or 1,3,5-cyclohexatriene derivatives subjected to magnetic properties},
  doi       = {10.1016/j.theochem.2008.02.013},
  year      = {2008},
  abstract  = {The through space NMR shielding (TSNMRS) values of two tricyclobutabenzene (TCBB) derivatives 2, of the corresponding hexamethylene and hexaoxo TCBB derivatives 3, of [4n]annuleno[4n + 2]annulene 5 and of its tricyclobutadiene parent compound 4 have been ab initio calculated by the GIAO perturbation method employing the nucleus- independent chemical shift (NICS) concept of Paul von Ragu{\´e} Schleyer, and visualized as iso-chemical shielding surfaces (ICSS). TSNMRS values can be successfully employed to quantify and visualize the aromaticity of the central, and in 5 also of the terminal benzene ring moieties.},
  language  = {en}
}
@article{StarkeSchusterFulopetal.2008,
  author    = {Starke, Ines and Schuster, Ildikk{\´o} and Fulop, Ferenc and Kleinpeter, Erich},
  title     = {Mass spectra of tetrahydroisoquinoline-fused 1,3,2-O,N,P- and 1,2,3-O,S,N-heterocycles: influence of ring size and fusion, of present heteroatoms, substituent effects and of the stereochemistry on fra},
  year      = {2008},
  abstract  = {The electron ionization (EI) mass spectra of a variety of stereoisomeric tricyclic 1,3,2-oxazaphosphino[4,3- a]isoquinolines (1-4), 1,2,3-oxathiazino[4,3-a]isoquinoline-4-oxides (5-7) and the -4,4-dioxides (8-10) of oxazaphospholo- and oxathiazolo[4,3-a]- (11, 12, 15 and 16) and -[3,4-b]isoquinolines (13, 14 and 17) were recorded. Ring size and fusion, the different heteroatoms (P and S) and substituents on the ring systems strongly influence the mass spectra. In addition, mass spectra of the stereoisomers of compounds 1, 2 and 13, 14 revealed stereochemically relevant differences which are not observed for the other pairs of isomers. Copyright © 2008 John Wiley \& Sons, Ltd.},
  language  = {en}
}
@article{SchusterKochHeydenreichetal.2008,
  author    = {Schuster, Ildik{\´o} and Koch, Andreas and Heydenreich, Matthias and Kleinpeter, Erich and Forr{\´o}, Enik{\"o} and L{\´a}z{\´a}r, L{\´a}szl{\´o} and Sillanp{\"a}{\"a}, Reijo and Fulop, Ferenc},
  title     = {Synthesis and Conformational Analysis of Tetrahydroisoquinoline-Fused 1,3,2-Oxazaphospholidines and 1,2,3- Oxathiazolidines},
  year      = {2008},
  abstract  = {The cyclizations of tetrahydroisoquinoline 1,2-amino alcohols with phenylphosphonic dichloride, bis(2- chloroethyl)phosphoramidic dichloride, thionyl chloride and sulfuryl chloride were utilized to synthesize 1,5,6,10b- tetrahydro-1,3,2-oxazaphospholo[4,3-a]isoquinolines (2, 3), 1,5,10,10a-tetrahydro-1,3,2-oxazaphospholo[3,4- b]isoquinolines (8, 9), 1,5,6,10b-tetrahydro-1,2,3-oxathiazolo[4,3-a]isoquinolines (4-6) anda 1,5,10,10a-tetrahydro- 1,2,3-oxathiazolo[3,4-b]isoquinoline (11), which are the first representatives of these ring systems. NMR spectroscopic analysis revealed the existence of conformational equilibria that are fast on the NMR timescale. Theoretical DFT calculations pointed to the participation of generally two preferred conformers in the conformational equilibria; the positions of the equilibria were indicated by the experimental NMR spectroscopic parameters, and they are in good agreement with the theoretically calculated energy differences of the participating conformers. For two compounds, which could be not isolated (10, 12), both the preferred conformers and the stereochemistry could be concluded from the DFT calculation results.},
  language  = {en}
}
@article{MarmodeeKlerkdeKumkeetal.2008,
  author    = {Marmod{\´e}e, Bettina and Klerk de, Joost and Kumke, Michael Uwe and Ariese, Freek and Gooijer, Cees},
  title     = {Spectroscopic investigations of complexes between Eu(III) and aromatic carboxylic ligands},
  doi       = {10.1016/j.jallcom.2007.04.150},
  year      = {2008},
  abstract  = {In order to obtain information on the number and symmetry of the different Eu3+ complexes formed with several hydroxybenzoic acids, ultra-low temperature luminescence measurements at 4.7 K were carried out. Hydroxybenzoic acids were used as simple model compounds for metal binding structures in humic substances (HS). Information on the complexes was extracted from high-resolution total luminescence spectra (TLS), which were obtained by scanning through the D-5(0) <-- F-7(0) transition of Eu(III) with a pulsed dye laser and measuring the emission in the wavelength range of the D- 5(0) --> F-7(0) and D-5(0) --> F-7(0) transitions simultaneously. By extracting the crystal field strength parameter N- v(B-2q) from the TLS, it was found that N-v(B-2q) was not directly correlated with the excitation energy. Further, the symmetry of the individual complexes formed was extracted from the experimental data. (C) 2007 Elsevier B.V. All rights reserved.},
  language  = {en}
}
@phdthesis{Olak2008,
  author    = {Olak, Claudia},
  title     = {Untersuchung zur Rolle von Adapterprotein-Komplexen im Targeting der Glucosetransporter GLUT8 und GLUT4},
  address   = {Potsdam},
  pages     = {131,xii S. : graph. Darst.},
  year      = {2008},
  language  = {de}
}
@article{LaschewskyGarnierKirstenetal.2006,
  author    = {Laschewsky, Andr{\´e} and Garnier, Sebastien and Kirsten, Juliane and Mertoglu, Murat and Skrabania, Katja and Lutz, Jean-Francois},
  title     = {Comb-like polymeric surfactants by combining block and graft copolymer architectures},
  issn      = {0065-7727},
  year      = {2006},
  language  = {en}
}
@article{OPUS4-10587,
  title     = {DFT-GIAO-NBO and 13C NMR study of the delta-syn-axial effect in 2,4-disubstituted adamantanes},
  issn      = {0749-1581},
  doi       = {10.1002/Mrc.2333},
  year      = {2008},
  abstract  = {Six groups of diastereomeric 2,4-disubstituted adamantanes were studied with DFT-GIAO-NBO (natural orbital analysis) methods. The calculated 13C chemical shifts reproduce well the experimental data. It was found that among all diastereomers, those bearing substituents in -syn-axial positions showed the largest overall deshielding, i.e. the sum of all 13C chemical shifts [;;(13C)] was the greatest and also had the highest delocalization contribution to the molecular energy evaluated with NBO. The higher delocalization energy is proposed to be the origin of the deshielding -syn-axial effect},
  language  = {en}
}
@article{StarkeKammerGrunwaldetal.2008,
  author    = {Starke, Ines and Kammer, Stefan and Grunwald, Nicolas and Schilde, Uwe and Holdt, Hans-J{\"u}rgen and Kleinpeter, Erich},
  title     = {Complexation of diazaperylene and bisisoquinoline with transition metal ions in the gas phase studied by electrospray ionization mass spectrometry},
  year      = {2008},
  abstract  = {The complex formation of the ligands 1,12-diazaperylene (dap), 1,1-bisisoquinoline (bis), 2,2-bipyridine (bpy) and 1,10-phenanthroline (phen) with transition metal ions (M = Fe, Co, Ni, Cu, Zn, Ru, Os, Re, Pd, Pt, Ag and Cd) in the gas phase has been studied by electrospray ionization mass spectrometry. With the exception of Ru, Os, Fe, Ni and Cu, singly charged complexes [MLn]+ (n = 1,2) were observed. The complexes of dap and bis with Ru, Os, Fe and Ni ions, and the mixed ligand complexes with bpy and phen, are preferably of the doubly charged type [ML3]2+. In addition, collision- induced dissociation (CID) measurements were employed to evaluate the relative stabilities of these complexes. The CID experiments of mixed-ligand complexes which contain both dap and phen or dap and bpy exhibit preferential elimination of bpy, indicating that bpy is a weaker ligand than phen and dap.},
  language  = {en}
}
@phdthesis{Wacker2008,
  author    = {Wacker, Philipp},
  title     = {Konformationsanalyse meso-substituierter Porphyrine mittels NMR-Spektroskopie und quantenchemischer Berechnungen},
  address   = {Potsdam},
  pages     = {112, A36 : graph. Darst.},
  year      = {2008},
  language  = {de}
}
@article{SteinbrueckRaschKumke2008,
  author    = {Steinbr{\"u}ck, D{\"o}rte and Rasch, Claudia and Kumke, Michael Uwe},
  title     = {Photophysics of Ochratoxin A in aqueous solution},
  year      = {2008},
  language  = {en}
}
@article{Kleinpeter2008,
  author    = {Kleinpeter, Erich},
  title     = {Quantitative study and visualization of spherical 2(N + 1)2 homoaromaticity by through space NMR shieldings (TSNMRS)},
  doi       = {10.1016/j.theochem.2007.11.029},
  year      = {2008},
  abstract  = {The through space NMR shielding (TSNMRS) values of adamantane, the 2(N + 1)2 spherical (4c, 2e) homoaromatic compounds 1,3-dehydro-5,7-adamantandiyl dication (C10H122+) and 1,3-dehydro-5,7-cubandiyl dication (C8H42+), and the (6c, 8e) homoaromatic compound 2,2;,4,4;,6,6;,8,8;,10,10;-dehydroadamantane tetracation (C10H44+) have been ab initio calculated, employing the NICS concept, and visualized as iso-chemical shielding surfaces (ICSSs). TSNMRS values can be successfully employed to study both the endohedral and exohedral aromaticity/ antiaromaticity of the compounds studied.},
  language  = {en}
}
@phdthesis{Koenig2016,
  author    = {K{\"o}nig, Jana},
  title     = {Synthese und Charakterisierung von 3d-4f-Komplexen und deren Vorl{\"a}ufer mit 1,2-Dithiooxalat als Ligand},
  school      = {Universit{\"a}t Potsdam},
  pages     = {89, LXIX},
  year      = {2016},
  language  = {de}
}
@phdthesis{Trautmann2016,
  author    = {Trautmann, Michael},
  title     = {Neue Polystyrolharze mit Sulfoxid-Ankergruppen f{\"u}r die Festphasenextraktion von Platin und Ruthenium aus salzsauren L{\"o}sungen},
  school      = {Universit{\"a}t Potsdam},
  pages     = {191},
  year      = {2016},
  language  = {de}
}
@phdthesis{Friese2016,
  author    = {Friese, Viviane A.},
  title     = {Solvato-, vapo, mechanochromic and luminescent behavior of Rhodium, Platinum and Gold complexes and their coordination polymers},
  school      = {Universit{\"a}t Potsdam},
  pages     = {100 S.},
  year      = {2016},
  language  = {en}
}
@phdthesis{Friess2016,
  author    = {Frieß, Fabian},
  title     = {Shape-memory polymer micronetworks},
  school      = {Universit{\"a}t Potsdam},
  pages     = {xiv, 111 S.},
  year      = {2016},
  language  = {en}
}
@phdthesis{Klaper2014,
  author    = {Klaper, Matthias},
  title     = {Untersuchungen zum intramolekularen Transfer von Singulettsauerstoff auf Acene und Alkene},
  school      = {Universit{\"a}t Potsdam},
  pages     = {118},
  year      = {2014},
  language  = {de}
}
@phdthesis{Bressel2016,
  author    = {Bressel, Lena},
  title     = {Bedeutung der abh{\"a}ngigen Streuung f{\"u}r die optischen Eigenschaften hochkonzentrierter Dispersionen},
  school      = {Universit{\"a}t Potsdam},
  pages     = {154, XL},
  year      = {2016},
  language  = {de}
}
@phdthesis{Draffehn2016,
  author    = {Draffehn, S{\"o}ren},
  title     = {Optical Spectroscopy-Based Characterization of Micellar and Liposomal Systems with Possible Applications in Drug Delivery},
  school      = {Universit{\"a}t Potsdam},
  pages     = {VII, 106, XII},
  year      = {2016},
  language  = {en}
}
@article{SchildeKellingUmbreenetal.2016,
  author    = {Schilde, Uwe and Kelling, Alexandra and Umbreen, Sumaira and Linker, Torsten},
  title     = {Crystal structures of three bicyclic carbohydrate derivatives},
  series = {Acta crystallographica Section E ; Crystallographic communications},
  volume    = {72},
  journal   = {Acta crystallographica Section E ; Crystallographic communications},
  number    = {12},
  publisher = {IUCR},
  address   = {Chester},
  issn      = {2056-9890},
  doi       = {10.1107/S2056989016018727},
  pages     = {1839 -- 1844},
  year      = {2016},
  abstract  = {The title compounds, [(1R,3R,4R,5R,6S)-4,5-bis(acetyloxy)-7-oxo-2-oxabicyclo- [4.2.0]octan-3-yl]methyl acetate, C14H18O8, (I), [(1S,4R,5S,6R)-5-acetyloxy-7- hydroxyimino-2-oxobicyclo[4.2.0]octan-4-yl acetate, C11H15NO6, (II), and [(3aR,5R,6R,7R,7aS)-6,7-bis(acetyloxy)-2-oxooctahydropyrano[3,2-b]pyrrol-5- yl]methyl acetate, C14H19NO8, (III), are stable bicyclic carbohydrate derivatives. They can easily be synthesized in a few steps from commercially available glycals. As a result of the ring strain from the four-membered rings in (I) and (II), the conformations of the carbohydrates deviate strongly from the ideal chair form. Compound (II) occurs in the boat form. In the five-membered lactam (III), on the other hand, the carbohydrate adopts an almost ideal chair conformation. As a result of the distortion of the sugar rings, the configurations of the three bicyclic carbohydrate derivatives could not be determined from their NMR coupling constants. From our three crystal structure determinations, we were able to establish for the first time the absolute configurations of all new stereocenters of the carbohydrate rings.},
  language  = {en}
}
@phdthesis{Rackwitz2016,
  author    = {Rackwitz, Jenny},
  title     = {A novel approach to study low-energy electron-induced damage to DNA oligonucleotides},
  school      = {Universit{\"a}t Potsdam},
  pages     = {137},
  year      = {2016},
  language  = {en}
}
@phdthesis{Limberg2016,
  author    = {Limberg, Felix Rolf Paul},
  title     = {Synthese und Entwicklung thermisch vernetzbarer OLED-Materialien},
  school      = {Universit{\"a}t Potsdam},
  pages     = {206},
  year      = {2016},
  language  = {de}
}
@phdthesis{Zabel2016,
  author    = {Zabel, Andre},
  title     = {Halidometallate - Struktur und Eigenschaften},
  school      = {Universit{\"a}t Potsdam},
  pages     = {157, XLIX},
  year      = {2016},
  language  = {de}
}
@phdthesis{Oliveira2016,
  author    = {Oliveira, Joana Santos Lapa},
  title     = {Role of different ceramides on the nanostructure of Stratum Corneum models and the influence of selected penetration enhancers},
  school      = {Universit{\"a}t Potsdam},
  pages     = {125},
  year      = {2016},
  language  = {en}
}
@article{MeilingCywińskiBald2016,
  author    = {Meiling, Till Thomas and Cywiński, Piotr J. and Bald, Ilko},
  title     = {White carbon: Fluorescent carbon nanoparticles with tunable quantum yield in a reproducible green synthesis},
  series = {Scientific reports},
  volume    = {6},
  journal   = {Scientific reports},
  publisher = {Nature Publishing Group},
  address   = {London},
  doi       = {10.1038/srep28557},
  pages     = {9},
  year      = {2016},
  abstract  = {In this study, a new reliable, economic, and environmentally-friendly one-step synthesis is established to obtain carbon nanodots (CNDs) with well-defined and reproducible photoluminescence (PL) properties via the microwave-assisted hydrothermal treatment of starch and Tris-acetate-EDTA (TAE) buffer as carbon sources. Three kinds of CNDs are prepared using different sets of above mentioned starting materials. The as-synthesized CNDs: C-CND (starch only), N-CND 1 (starch in TAE) and N-CND 2 (TAE only) exhibit highly homogenous PL and are ready to use without need for further purification. The CNDs are stable over a long period of time (>1 year) either in solution or as freeze-dried powder. Depending on starting material, CNDs with PL quantum yield (PLQY) ranging from less than 1\% up to 28\% are obtained. The influence of the precursor concentration, reaction time and type of additives on the optical properties (UV-Vis absorption, PL emission spectrum and PLQY) is carefully investigated, providing insight into the chemical processes that occur during CND formation. Remarkably, upon freeze-drying the initially brown CND-solution turns into a non-fluorescent white/slightly brown powder which recovers PL in aqueous solution and can potentially be applied as fluorescent marker in bio-imaging, as a reduction agent or as a photocatalyst.},
  language  = {en}
}
@phdthesis{Kovach2016,
  author    = {Kovach, Ildiko},
  title     = {Development, characterization of Janus emulsions, and their usage as a template phase for fabricating biopolymer scaffolds},
  school      = {Universit{\"a}t Potsdam},
  year      = {2016},
  language  = {en}
}
@phdthesis{Wolf2016,
  author    = {Wolf, Felix},
  title     = {Neuartige Olefine und Aryldiazoniumtetrafluoroborate f{\"u}r die MATSUDA-HECK-Reaktion},
  school      = {Universit{\"a}t Potsdam},
  pages     = {158},
  year      = {2016},
  language  = {de}
}
@article{DoritiBrosnanWeidneretal.2016,
  author    = {Doriti, Afroditi and Brosnan, Sarah M. and Weidner, Steffen M. and Schlaad, Helmut},
  title     = {Synthesis of polysarcosine from air and moisture stable N-phenoxycarbonyl-N-methylglycine assisted by tertiary amine base},
  series = {Polymer Chemistry},
  volume    = {7},
  journal   = {Polymer Chemistry},
  publisher = {RSC Publ.},
  address   = {Cambridge},
  issn      = {1759-9954},
  doi       = {10.1039/C6PY00221H},
  pages     = {3067 -- 3070},
  year      = {2016},
  abstract  = {Polysarcosine (Mn = 3650-20 000 g mol-1, Đ ∼ 1.1) was synthesized from the air and moisture stable N-phenoxycarbonyl-N-methylglycine. Polymerization was achieved by in situ transformation of the urethane precursor into the corresponding N-methylglycine-N-carboxyanhydride, when in the presence of a non-nucleophilic tertiary amine base and a primary amine initiator.},
  language  = {en}
}
@article{OlejkoCywińskiBald2016,
  author    = {Olejko, Lydia and Cywiński, Piotr J. and Bald, Ilko},
  title     = {An ion-controlled four-color fluorescent telomeric switch on DNA origami structures},
  series = {Nanoscale},
  volume    = {8},
  journal   = {Nanoscale},
  publisher = {RSC Publ.},
  address   = {Cambridge},
  issn      = {2040-3372},
  doi       = {10.1039/C6NR00119J},
  pages     = {10339 -- 10347},
  year      = {2016},
  abstract  = {The folding of single-stranded telomeric DNA into guanine (G) quadruplexes is a conformational change that plays a major role in sensing and drug targeting. The telomeric DNA can be placed on DNA origami nanostructures to make the folding process extremely selective for K+ ions even in the presence of high Na+ concentrations. Here, we demonstrate that the K+-selective G-quadruplex formation is reversible when using a cryptand to remove K+ from the G-quadruplex. We present a full characterization of the reversible switching between single-stranded telomeric DNA and G-quadruplex structures using F{\"o}rster resonance energy transfer (FRET) between the dyes fluorescein (FAM) and cyanine3 (Cy3). When attached to the DNA origami platform, the G-quadruplex switch can be incorporated into more complex photonic networks, which is demonstrated for a three-color and a four-color FRET cascade from FAM over Cy3 and Cy5 to IRDye700 with G-quadruplex-Cy3 acting as a switchable transmitter.},
  language  = {en}
}
@article{NiedlBerensteinBeta2016,
  author    = {Niedl, Robert Raimund and Berenstein, Igal and Beta, Carsten},
  title     = {How imperfect mixing and differential diffusion accelerate the rate of nonlinear reactions in microfluidic channels},
  series = {Physical chemistry, chemical physics : PCCP ; a journal of European Chemical Societies},
  volume    = {18},
  journal   = {Physical chemistry, chemical physics : PCCP ; a journal of European Chemical Societies},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c6cp00224b},
  pages     = {6451 -- 6457},
  year      = {2016},
  abstract  = {In this paper, we show experimentally that inside a microfluidic device, where the reactants are segregated, the reaction rate of an autocatalytic clock reaction is accelerated in comparison to the case where all the reactants are well mixed. We also find that, when mixing is enhanced inside the microfluidic device by introducing obstacles into the flow, the clock reaction becomes slower in comparison to the device where mixing is less efficient. Based on numerical simulations, we show that this effect can be explained by the interplay of nonlinear reaction kinetics (cubic autocatalysis) and differential diffusion, where the autocatalytic species diffuses slower than the substrate.},
  language  = {en}
}
@phdthesis{Pape2016,
  author    = {Pape, Simon},
  title     = {Entwicklung und Evaluierung von Methoden zur Synthese neuartiger Additive f{\"u}r die außenstromlose Nickel-Phosphor-Abscheidung},
  school      = {Universit{\"a}t Potsdam},
  pages     = {223},
  year      = {2016},
  language  = {de}
}
@article{ZabelWinterKellingetal.2016,
  author    = {Zabel, Andr{\´e} and Winter, Alette and Kelling, Alexandra and Schilde, Uwe and Strauch, Peter},
  title     = {Tetrabromidocuprates(II)-Synthesis, Structure and EPR},
  series = {International journal of molecular sciences},
  volume    = {17},
  journal   = {International journal of molecular sciences},
  number    = {4},
  publisher = {MDPI},
  address   = {Basel},
  doi       = {10.3390/ijms17040596},
  pages     = {14},
  year      = {2016},
  abstract  = {Metal-containing ionic liquids (ILs) are of interest for a variety of technical applications, e.g., particle synthesis and materials with magnetic or thermochromic properties. In this paper we report the synthesis of, and two structures for, some new tetrabromidocuprates(II) with several "onium" cations in comparison to the results of electron paramagnetic resonance (EPR) spectroscopic analyses. The sterically demanding cations were used to separate the paramagnetic Cu(II) ions for EPR measurements. The EPR hyperfine structure in the spectra of these new compounds is not resolved, due to the line broadening resulting from magnetic exchange between the still-incomplete separated paramagnetic Cu(II) centres. For the majority of compounds, the principal g values (g|| and gK) of the tensors could be determined and information on the structural changes in the [CuBr4]2- anions can be obtained. The complexes have high potential, e.g., as ionic liquids, as precursors for the synthesis of copper bromide particles, as catalytically active or paramagnetic ionic liquids.},
  language  = {en}
}
@phdthesis{Taeuber2016,
  author    = {T{\"a}uber, Karoline},
  title     = {Porous Membranes from Imidazolium- and Pyridinium-based Poly(ionic liquid)s with Targeted Properties},
  school      = {Universit{\"a}t Potsdam},
  pages     = {115},
  year      = {2016},
  language  = {en}
}
@article{PrinzHeckElleriketal.2016,
  author    = {Prinz, Julia and Heck, Christian and Ellerik, Lisa and Merk, Virginia and Bald, Ilko},
  title     = {DNA origami based Au-Ag-core-shell nanoparticle dimers with single-molecule SERS sensitivity},
  series = {Nanoscale},
  journal   = {Nanoscale},
  number    = {8},
  publisher = {RSC Publishing},
  address   = {Cambridge},
  doi       = {10.1039/C5NR08674D},
  pages     = {5612 -- 5620},
  year      = {2016},
  abstract  = {DNA origami nanostructures are a versatile tool to arrange metal nanostructures and other chemical entities with nanometer precision. In this way gold nanoparticle dimers with defined distance can be constructed, which can be exploited as novel substrates for surface enhanced Raman scattering (SERS). We have optimized the size, composition and arrangement of Au/Ag nanoparticles to create intense SERS hot spots, with Raman enhancement up to 1010, which is sufficient to detect single molecules by Raman scattering. This is demonstrated using single dye molecules (TAMRA and Cy3) placed into the center of the nanoparticle dimers. In conjunction with the DNA origami nanostructures novel SERS substrates are created, which can in the future be applied to the SERS analysis of more complex biomolecular targets, whose position and conformation within the SERS hot spot can be precisely controlled.},
  language  = {en}
}
@article{MondalMarquardtJaniaketal.2016,
  author    = {Mondal, Suvendu Sekhar and Marquardt, Dorothea and Janiak, Christoph and Holdt, Hans-J{\"u}rgen},
  title     = {Use of a 4,5-dicyanoimidazolate anion based ionic liquid for the synthesis of iron and silver nanoparticles},
  series = {Dalton transactions : an international journal of inorganic chemistry},
  journal   = {Dalton transactions : an international journal of inorganic chemistry},
  number    = {45},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1477-9226},
  doi       = {10.1039/C6DT00225K},
  pages     = {5476 -- 5483},
  year      = {2016},
  abstract  = {Sixteen new ionic liquids (ILs) with tetraethylammonium, 1-butyl-3-methylimidazolium, 3-methyl-1-octylimidazolium and tetrabutylphosphonium cations paired with 2-substituted 4,5-dicyanoimidazolate anions (substituent at C2 = methyl, trifluoromethyl, pentafluoroethyl, N,N′-dimethyl amino and nitro) have been synthesized and characterized by using differential scanning calorimetry (DSC), thermogravimetric analysis (TGA). The effects of cation and anion type and structure of the resulting ILs, including several room temperature ionic liquids (RTILs), are reflected in the crystallization, melting points and thermal decomposition of the ILs. ILs exhibited large liquid and crystallization ranges and formed glasses on cooling with glass transition temperatures in the range of -22 to -71 °C. We selected one of the newly designed ILs due to its bigger size, compared to the common conventional IL anion and high electron-withdrawing nitrile group leads to an overall stabilization anion that may stabilize the metal nanoparticles. Stable and better separated iron and silver nanoparticles are obtained by the decomposition of corresponding Fe2(CO)9 and AgPF6, respectively, under N2-atmosphere in newly designed nitrile functionalized 4,5-dicyanoimidazolate anion based IL. Very small and uniform size for Fe-nanoparticles of about 1.8 ± 0.6 nm were achieved without any additional stabilizers or capping molecules. Comparatively bigger size of Ag-nanoparticles was obtained through the reduction of AgPF6 by hydrogen gas. Additionally, the AgPF6 precursor was decomposed under microwave irradiation (MWI), fabricating nut-in-shell-like, that is, core-separated-from-shell Ag-nano-structures.},
  language  = {en}
}
@article{KlaperWessigLinker2015,
  author    = {Klaper, M. and Wessig, Pablo and Linker, Torsten},
  title     = {Base catalysed decomposition of anthracene endoperoxide},
  series = {Chemical communications : ChemComm},
  journal   = {Chemical communications : ChemComm},
  number    = {52},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1364-548X},
  doi       = {10.1039/C5CC08606J},
  pages     = {1210 -- 1213},
  year      = {2015},
  abstract  = {Catalytic amounts of a weak base are sufficient to induce the decomposition of anthracene endoperoxides to anthraquinone. The mechanism has been elucidated by isolation of intermediates in combination with DFT calculations. The whole process is suitable for the convenient generation of hydrogen peroxide under very mild conditions.},
  language  = {en}
}
@article{MatisSchoenbornSaalfrank2015,
  author    = {Matis, Jochen Ren{\´e} and Sch{\"o}nborn, Jan Boyke and Saalfrank, Peter},
  title     = {A multi-reference study of the byproduct formation for a ring-closed dithienylethene photoswitch},
  series = {Physical chemistry, chemical physics : PCCP ; a journal of European Chemical Societies},
  journal   = {Physical chemistry, chemical physics : PCCP ; a journal of European Chemical Societies},
  number    = {17},
  publisher = {The Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/C5CP00987A},
  pages     = {14088 -- 14095},
  year      = {2015},
  abstract  = {Photodriven molecular switches are sometimes hindered in their performance by forming byproducts which act as dead ends in sequences of switching cycles, leading to rapid fatigue effects. Understanding the reaction pathways to unwanted byproducts is a prerequisite for preventing them. This article presents a study of the photochemical reaction pathways for byproduct formation in the photochromic switch 1,2-bis-(3-thienyl)-ethene. Specifically, using single- and multi-reference methods the post-deexcitation reaction towards the byproduct in the electronic ground state S0 when starting from the S1-S0 conical intersection (CoIn), is considered in detail. We find an unusual low-energy pathway, which offers the possibility for the formation of a dyotropic byproduct. Several high-energy pathways can be excluded with high probability.},
  language  = {en}
}
@article{PrestelMoeller2015,
  author    = {Prestel, Andreas and M{\"o}ller, Heiko Michael},
  title     = {Spatio-temporal control of cellular uptake achieved by photoswitchable cell-penetrating peptides},
  series = {Chemical communications : ChemComm},
  journal   = {Chemical communications : ChemComm},
  number    = {52},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1364-548X},
  doi       = {10.1039/C5CC06848G},
  pages     = {701 -- 704},
  year      = {2015},
  abstract  = {The selective uptake of compounds into specific cells of interest is a major objective in cell biology and drug delivery. By incorporation of a novel, thermostable azobenzene moiety we generated peptides that can be switched optically between an inactive state and an active, cell-penetrating state with excellent spatio-temporal control.},
  language  = {en}
}