@article{AdelsbergerKulkarniJainetal.2010, author = {Adelsberger, Joseph and Kulkarni, Amit and Jain, Abhinav and Wang, Weinan and Bivigou Koumba, Achille Mayelle and Busch, Peter and Pipich, Vitaliy and Holderer, Olaf and Hellweg, Thomas and Laschewsky, Andr{\´e} and M{\"u}ller-Buschbaum, Peter and Papadakis, Christine M.}, title = {Thermoresponsive PS-b-PNIPAM-b-PS micelles : aggregation behavior, segmental dynamics, and thermal response}, issn = {0024-9297}, doi = {10.1021/Ma902714p}, year = {2010}, abstract = {We have studied I lie thermal behavior of amphiphilic, symmetric triblock copolymers having short, deuterated polystyrene (PS) end blocks and a large poly(N-isopropylacrylarnicle) (PNIPAM) middle block exhibiting a lower critical solution temperature (LCST) in aqueous solution. A wide range of concentrations (0.1-300 mg/mL) is investigated using it number of analytical methods such as fluorescence correlation spectroscopy (FCS), turbidimetry, dynamic light scattering (DLS), small-angle neutron scattering (SANS), and neutron spin-echo spectroscopy (NSE). The critical micelle concentration is determined using FCS to be 1 mu M or less. The collapse of the micelles at the LCST is investigated using turbidimetry and DLS and shows a weak dependence on the degree of polymerization of the PNIPAM block. SANS with contrast matching allows its to reveal the core-shell Structure of the micelles as well as their correlation as a function of temperature. The segmental dynamics of the PNIPAM shell are studied as a function of temperature and arc found to be faster in the collapsed state than in the swollen state. The mode detected has a linear dispersion in q(2) and is found to be faster in the collapsed state as compared to the swollen state. We attribute this result to the averaging over mobile and immobilized segments.}, language = {en} } @article{AwadConradKochetal.2010, author = {Awad, Duha Jawad and Conrad, Franziska and Koch, Andreas and Friedrich, Alwin and Poeppl, Andreas and Strauch, Peter}, title = {2,2'-Bipyridin-1,2-dithiolat Gemischtligand-Komplexe : Systhese, Charakterisierung und EPR-Spektroskopie}, issn = {0932-0776}, year = {2010}, abstract = {A series of new 2 2'-bipyridine/1 2-dithiolate transition metal complexes has been synthesised and characterised As 1,2-dithiolate ligands 1,2 dithiooxalate (dto) and 1 2-dithiosquarate (dtsq) were used It follows from the IR spectra that the multidentate dithiolate ligands coordinate exclusively via their sulfur atoms forming an MN2S2 coordination sphere The central metal ions (M) are Cu2+ Ni2+ Pd2+ Pt2+, and Zn2+ The complex [Cu-II(bpy)(dto)] could be studied by EPR spectroscopy and was measured as powder diamagnetically diluted in the isostructural [Ni-II(bpy)(dto)] host structure The spin density contribution calculated from the experimental parameters is compared with the electronic situation in the frontier orbitals namely in the semi occupied SOMO of the copper complex derived from quantum chemical calculations on different levels (EHT and DFT)}, language = {de} } @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{AyiKhareStrauchetal.2010, author = {Ayi, Ayi A. and Khare, Varsha and Strauch, Peter and Girard, J{\`e}r{\^o}me and Fromm, Katharina M. and Taubert, Andreas}, title = {On the chemical synthesis of titanium nanoparticles from ionic liquids}, issn = {0026-9247}, doi = {10.1007/s00706-010-0403-4}, year = {2010}, abstract = {We report on attempts towards the synthesis of titanium nanoparticles using a wet chemical approach in imidazolium-based ionic liquids (ILs) under reducing conditions. Transmission electron microscopy finds nanoparticles in all cases. UV/Vis spectroscopy confirms the nanoparticulate nature of the precipitate, as in all cases an absorption band between ca. 280 and 300 nm is visible. IR spectroscopy shows that even after extensive washing and drying, some IL remains adsorbed on the nanoparticles. Raman spectroscopy suggests the formation of anatase nanoparticles, but X-ray diffraction reveals that, possibly, amorphous titania forms or that the nanoparticles are so small that a clear structure assignment is not possible. The report thus shows that (possibly amorphous) titanium oxides even form under reducing conditions and that the chemical synthesis of titanium nanoparticles in ILs remains elusive.}, language = {en} } @phdthesis{Bai2010, author = {Bai, Shuo}, title = {Active hydrogels with nanocomposites}, address = {Potsdam}, pages = {VI, 109 Bl. : Ill., graph. Darst.}, year = {2010}, language = {en} } @article{BaranacStojanovicKlaumuenzerMarkovicetal.2010, author = {Baranac-Stojanovic, Marija and Klaumuenzer, Ute and Markovic, Rade and Kleinpeter, Erich}, title = {Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4- thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.09.040}, year = {2010}, abstract = {Structures of a series of push-pull 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives were optimized at the B3LYP/6-31G(d) level of theory in the gas phase and discussed with respect to configurational and conformational stability. Employing the GIAO method, C-13 NMR chemical shifts of the C-2, C-2', C-4 and C-5 atoms were calculated at the same level of theory in the gas phase and with inclusion of solvent, and compared with experimental data. Push-pull effect of all compounds was quantified by means of the quotient pi*/pi, length of the partial double bond, C-13 NMR chemical shift difference (Delta delta(C=C)) and H-1 NMR chemical shifts of olefinic protons. The effect of bromine on donating and accepting ability of other substituents of the push- pull C=C double bond is discussed, too.}, language = {en} } @phdthesis{Belova2010, author = {Belova, Valentina}, title = {Composite fabrication and surface modification via high intensity ultrasound}, address = {Potsdam}, pages = {113, XII S. : zahlr. Ill. und graph. Darst.}, year = {2010}, language = {en} } @article{BiermannMetzgerMeier2010, author = {Biermann, Ursula and Metzger, Juergen O. and Meier, Michael A. R.}, title = {Acyclic triene metathesis oligo- and polymerization of high oleic sun flower oil}, issn = {1022-1352}, doi = {10.1002/macp.200900615}, year = {2010}, abstract = {High oleic sunflower oil, a renewable raw material consisting of triglycerides with internal C=C-double bonds, was polymerized via acyclic triene metathesis (ATMET) to highly branched and functionalized polyesters. If the Hoveyda- Grubbs second generation catalyst was used and methyl acrylate was introduced as a chain stopper, the molecular weight of the obtained polymers could be tuned by varying the ratio of the triglyceride and methyl acrylate. Using the first generation Grubbs catalyst for the polymerization of high oleic sunflower oil, no cross-linking was observed, even without the use of a chain stopper. The resulting branched materials were characterized by GPC, H-1 and C-13 NMR, and ESI-MS.}, language = {en} } @article{BivigouKoumbaGoernitzLaschewskyetal.2010, author = {Bivigou Koumba, Achille Mayelle and Goernitz, Eckhard and Laschewsky, Andr{\´e} and M{\"u}ller-Buschbaum, Peter and Papadakis, Christine M.}, title = {Thermoresponsive amphiphilic symmetrical triblock copolymers with a hydrophilic middle block made of poly(N- isopropylacrylamide) : synthesis, self-organization, and hydrogel formation}, issn = {0303-402X}, doi = {10.1007/s00396-009-2179-9}, year = {2010}, abstract = {Several series of symmetrical triblock copolymers were synthesized by the reversible addition fragmentation chain transfer method. They consist of a long block of poly(N-isopropylacrylamide) as hydrophilic, thermoresponsive middle block, which is end-capped by two small strongly hydrophobic blocks made from five different vinyl polymers. The association of the amphiphilic polymers was studied in dilute and concentrated aqueous solution. The polymer micelles found at low concentrations form hydrogels at high concentrations, typically above 30-35 wt.\%. Hydrogel formation and the thermosensitive rheological behavior were studied exemplarily for copolymers with hydrophobic blocks of polystyrene, poly(2-ethylhexyl acrylate), and poly(n-octadecyl acrylate). All systems exhibited a cloud point around 30 A degrees C. Heating beyond the cloud point initially favors hydrogel formation but continued heating results in macroscopic phase separation. The rheological behavior suggests that the copolymers associate into flower-like micelles, with only a small share of polymers that bridge the micelles and act as physical cross-linkers, even at high concentrations.}, language = {en} } @article{BorchertWilkeSchmidtetal.2010, author = {Borchert, Manuela and Wilke, Max and Schmidt, Christian and Rickers, Karen}, title = {Rb and Sr partitioning between haplogranitic melts and aqueous solutions}, issn = {0016-7037}, doi = {10.1016/j.gca.2009.10.033}, year = {2010}, abstract = {Rubidium and strontium partitioning experiments between haplogranitic melts and aqueous fluids (water or 1.16- 3.56 m (NaCl + KCl) +/- HCl) were conducted at 750-950 degrees C and 0.2-1.4 GPa to investigate the effects of melt and fluid composition, pressure, and temperature. In addition, we studied if the applied technique (rapid and slow quench, and in-situ determination of trace element concentration in the fluid) has a bearing on the obtained data. There is good agreement of the data from different techniques for chloridic solutions, whereas back reactions between fluid and Melt upon cooling have a significant effect on results from the experiments with water. The Rb fluid-melt partition coefficient shows no recognizable dependence on melt composition and temperature. For chloridic Solutions, it is similar to 0.4, independent of pressure. In experiments with water, it is one to two orders of magnitude lower and increases with pressure. The strontium fluid-melt partition coefficient does not depend on temperature. It increases slightly with pressure in Cl free experiments. In chloridic fluids, there is a sharp increase in the Sr partition coefficient with the alumina saturation index (ASI) from 0.003 at an ASI of 0.8 to a maximum of 0.3 at an ASI of 1.05. At higher ASI, it decreases slightly to 0.2 at an ASI of 1.6. It is one to two orders of magnitude higher in chloridic fluids compared to those found in H2O experiments. The Rb/Sr ratio in non-chloridic solutions in equilibrium with metaluminous melts increases with pressure, whereas the Rb/Sr ratio in chloridic fluids is independent of pressure and decreases with fluid salinity. The obtained fluid-melt partition coefficients are in good agreement with data from natural cogenetic fluid and melt inclusions. Numerical modeling shows that although the Rb/Sr ratio in the residual melt is particularly sensitive to the degree of fractional crystallization, exsolution of a fluid phase, and associated fluid-melt partitioning is not a significant factor controlling Rb and Sr concentrations in the residual melt during crystallization of most granitoids.}, language = {en} } @article{BouaklineAlthorpeLarregarayetal.2010, author = {Bouakline, Foudhil and Althorpe, Stuart C. and Larregaray, Pascal and Bonnet, Laurent}, title = {Strong geometric-phase effects in the hydrogen-exchange reaction at high collision energies : II. quasiclassical trajectory analysis}, issn = {0026-8976}, doi = {10.1080/00268971003610218}, year = {2010}, abstract = {Recent calculations on the hydrogen-exchange reaction [Bouakline et al., J. Chem. Phys. 128, 124322 (2008)], have found strong geometric phase (GP) effects in the state-to-state differential cross-sections (DCS), at energies above the energetic minimum of the conical intersection (CI) seam, which cancel out in the integral cross-sections (ICS). In this article, we explain the origin of this cancellation and make other predictions about the nature of the reaction mechanisms at these high energies by carrying out quasiclassical trajectory (QCT) calculations. Detailed comparisons are made with the quantum results by splitting the quantum and the QCT cross-sections into contributions from reaction paths that wind in different senses around the CI and that scatter the products in the nearside and farside directions. Reaction paths that traverse one transition state (1-TS) scatter their products in just the nearside direction, whereas paths that traverse two transition states (2-TS) scatter in both the nearside and farside directions. However, the nearside 2-TS products scatter into a different region of angular phase-space than the 1-TS products, which explains why the GP effects cancel out in the ICS. Analysis of the QCT results also suggests that two separate reaction mechanisms may be responsible for the 2-TS scattering at high energies.}, language = {en} } @article{BramborgLinker2010, author = {Bramborg, Andrea and Linker, Torsten}, title = {Selective synthesis of 1,4-dialkylbenzenes from terephthalic acid}, issn = {1615-4150}, doi = {10.1002/adsc.201000322}, year = {2010}, abstract = {Terephthalic acid reacts with alkyl halides under Birch conditions to substituted 1,4-cyclohexadienes in high yields and good stereoselectivities. Electrophiles containing ester or nitrile groups undergo a surprising fragmentation under the reaction conditions. Subsequent treatment with chlorosulfonic acid proceeds by an interesting tandem decarbonylation/decarboxylation, affording 1,4-dialkylbenzenes in excellent regioselectivity. Thus our new method is superior to classical Friedel-Crafts alkylations.}, language = {en} } @phdthesis{Chanana2010, author = {Chanana, Munish}, title = {Synthesis of stimuli-responsive and switchable inorganic nanoparticles for biomedical applications}, address = {Potsdam}, pages = {128, E-1 S. : Ill., graph. Darst.}, year = {2010}, language = {en} } @article{CoyJovanovicSefkow2010, author = {Coy, Ericsson D. and Jovanovic, Ljubisa and Sefkow, Michael}, title = {One-pot, Pd-catalyzed synthesis of trans-dihydrobenzofurans from o-aminophenols}, issn = {1523-7060}, doi = {10.1021/Ol100433z}, year = {2010}, abstract = {An efficient and facile synthesis of trans-dihydrobenzofurans has been accomplished from o-aminophenols and phenylpropenes via a novel (one-pot) diastereoselective Pd-catalyzed oxyarylation reaction. The development and optimization of this method is described.}, language = {en} } @phdthesis{Cui2010, author = {Cui, Jing}, title = {Preparation of medical grade, amorphous polymer systems with adjustable stiffness and development of self- surfficiently moving model scaffolds based on shape-memory polymer composites}, address = {Potsdam}, year = {2010}, language = {en} } @article{CywinskiIdzikCranfieldetal.2010, author = {Cywinski, Piotr J. and Idzik, Krzysztof R. and Cranfield, Charles G. and Beckert, Rainer and Mohr, Gerhard J.}, title = {Synthesis and sensing properties of a new carbazole fluorosensor for detection of abacavir}, issn = {1061-0278}, doi = {10.1080/10610278.2010.506541}, year = {2010}, abstract = {An abacavir-targeted fluorosensor based on the carbazole moiety has been synthesised and characterised. Recognition of abacavir is by base pairing between a uracil moiety present in the fluorosensor and the guanine moiety of abacavir. The fluorosensor exhibits five-fold quenching in the presence of 50M abacavir. Its sensitivity to abacavir is superior to that of other reverse transcriptase inhibitors: zidovudine, lamivudine and didanosine. Due to its high sensitivity, this fluorosensor has the potential to be used in multi-analyte array-based detection platforms as well as in microfluidics systems.}, language = {en} } @article{deAraujoChaconCarneiroetal.2010, author = {de Araujo, Martha T. and Chacon, Eluzir P. and Carneiro, Jos{\´e} W. de M. and Koch, Andreas and Kleinpeter, Erich}, title = {Analysis of anisotropic effects in trinuclear metal carbonyl compounds by visualization of through-space NMR shielding}, issn = {1610-2940}, doi = {10.1007/s00894-010-0662-3}, year = {2010}, abstract = {Through-space NMR shieldings were calculated for trinuclear metal-carbonyl compounds [M-3(CO)(12)] (M = Fe, Ru, Os), employing the nucleus-independent chemical shift approach. The through-space shieldings were visualized as a contour plot of iso-chemical shielding surfaces, and were applied to quantify the overall anisotropic effect of the carbonyl groups, as well as to identify the influence of the transition metal on the scopes of the corresponding anisotropy cones. The shielding surfaces show that the anisotropic effect of the carbonyl groups at equatorial positions changes depending on the metal. This effect was associated with pi-backdonation from the metal to the carbonyl groups in that position, in agreement with geometric data as well as calculated NMR parameters. Therefore, visualization of the through-space NMR shieldings of trinuclear metal-carbonyl compounds of group 8 is able to reflect the distinct arrangements of the carbonyl groups in these organometallic compounds.}, language = {en} } @article{deEspinosaMeierRondaetal.2010, author = {de Espinosa, Lucas Montero and Meier, Michael A. R. and Ronda, Juan C. and Galiß, Marina and Cßdiz, Virginia}, title = {Phosphorus-containing renewable polyester-polyols via ADMET polymerization : synthesis, functionalization, and radical crosslinking}, issn = {0887-624X}, doi = {10.1002/Pola.23887}, year = {2010}, abstract = {An alpha,omega-diene containing hydroxyl groups was prepared from plant oil-derived platform chemicals. The acyclic diene metathesis copolymerization (ADMET) of this monomer with a phosphorus-containing alpha,omega-cliene (DOPO II), also plant oil derived, afforded a series of phosphorus containing linear polyesters, which have been fully characterized. The backbone hydroxyls of these polyesters have been acrylated and radically polymerized to produce crosslinked polymers. The thermomechanical and mechanical properties, the thermal stability, and the flame retardancy of these phosphorus-based thermosets have been studied. Moreover, methyl 10-undecenoate has been used as chain stopper in selected ADMET polymerizations to study the effect of the prepolymers' molecular weights on the different properties of the final materials.}, language = {en} } @article{DebatinThomasKellingetal.2010, author = {Debatin, Franziska and Thomas, Arne and Kelling, Alexandra and Hedin, Niklas and Bacsik, Zoltan and Senkovska, Irena and Kaskel, Stefan and Junginger, Matthias and M{\"u}ller, Holger and Schilde, Uwe and J{\"a}ger, Christian and Friedrich, Alwin and Holdt, Hans-J{\"u}rgen}, title = {In situ synthesis of an imidazolate-4-amide-5-imidate ligand and formation of a microporous zinc-organic framework with H2-and CO2-storage ability}, issn = {1433-7851}, doi = {10.1002/anie.200906188}, year = {2010}, abstract = {Narrow channels with polar walls are the structural and functional features responsible for the high capacity of a zinc-organic framework based on an imidazolate-amide-imidate ligand for the uptake of H2 and CO2 (see structure: orange Zn, blue N, red O, dark gray C, light gray H). The rigid and stable chelating ligand was synthesized in situ by partial hydrolysis of a dicyanoimidazole compound.}, language = {en} } @article{DiehlCernochZenkeetal.2010, author = {Diehl, Christina and Cernoch, Peter and Zenke, Ingrid and Runge, Heike and Pitschke, Rona and Hartmann, Juergen and Tiersch, Brigitte and Schlaad, Helmut}, title = {Mechanistic study of the phase separation/crystallization process of poly(2-isopropyl-2-oxazoline) in hot water}, issn = {1744-683X}, doi = {10.1039/C0sm00114g}, year = {2010}, abstract = {The kinetics of the crystallization of thermoresponsive poly(2-isopropyl-2-oxazoline) in water and the time- dependent evolution of the morphology were examined using wide-angle X-ray scattering and conventional and cryogenic scanning electron microscopy. Results indicate that a temperature-induced phase separation produces a bicontinuous polymer network-like structure, which with the onset of crystallization collapses into individual particles (1-2 mu m in diameter) composed of a porous fiber mesh. Nanofibers then preferentially form at the particle surface, thus wrapping the microspheres like a ball of wool. The particle morphology is severely affected by changes in temperature and less by the initial polymer concentration.}, language = {en} }