@article{WeberTierschUnterlassetal.2011,
  author    = {Weber, Nancy and Tiersch, Brigitte and Unterlass, Miriam M. and Heilig, Anneliese and Tauer, Klaus},
  title     = {"Schizomorphic" Emulsion Copolymerization Particles},
  series = {Macromolecular rapid communications},
  volume    = {32},
  journal   = {Macromolecular rapid communications},
  number    = {23},
  publisher = {Wiley-Blackwell},
  address   = {Malden},
  issn      = {1022-1336},
  doi       = {10.1002/marc.201100491},
  pages     = {1925 -- 1929},
  year      = {2011},
  abstract  = {Cryo-electron microscopy, atomic force microscopy, and light microscopy investigations provide experimental evidence that amphiphilic emulsion copolymerization particles change their morphology in dependence on concentration. The shape of the particles is spherical at solids content above 1\%, but it changes to rod-like, ring-like, and web-like structures at lower concentrations. In addition, the shape and morphology of these particles at low concentrations are not fixed but very flexible and vary with time between spheres, flexible pearlnecklace structures, and stretched rods.},
  language  = {en}
}
@article{PihlajaSinkkonenStajeretal.2011,
  author    = {Pihlaja, Kalevi and Sinkkonen, Jari and Stajer, Geza and Koch, Andreas and Kleinpeter, Erich},
  title     = {1-Oxo-1,3-dithiolanes - synthesis and stereochemistry},
  series = {Magnetic resonance in chemistry},
  volume    = {49},
  journal   = {Magnetic resonance in chemistry},
  number    = {7},
  publisher = {Wiley-Blackwell},
  address   = {Malden},
  issn      = {0749-1581},
  doi       = {10.1002/mrc.2764},
  pages     = {443 -- 449},
  year      = {2011},
  abstract  = {1-Oxo-1,3-dithiolane (4) and its cis- and trans-2-methyl (5,6), -4-methyl (7,8) and -5-methyl (9,10) derivatives were prepared by oxidizing the corresponding 1,3-dithiolanes (1-3) with NaIO(4) in water. The oxides were purified and their isomers separated using thin layer chromatography. The structural characterization was carried out with (1)H and (13)C NMR spectroscopy and molecular modelling. The sulfoxides 4-6 and 8-10 attain two S(1) type envelopes (sometimes slightly distorted) the S=O(ax) envelope greatly dominating. Cis-4-methyl-1-oxo-1,3-dithiolane is a special case exhibiting both two closely related S=O(ax) (30 and 27\%) as well as S=O(eq) (21 and 22\%) forms [S(1) and C(4) envelopes, respectively]. The relative energies of these conformations, the values of (1)H-(1)H coupling constants and (1)H and (13)C chemical shifts were estimated by computational methods and they support well the conclusions based on the experimental data.},
  language  = {en}
}
@article{KleinpeterPihlajaSinkkonenetal.2011,
  author    = {Kleinpeter, Erich and Pihlaja, Kalevi and Sinkkonen, Jari and St{\´a}jer, Gez{\´a} and Koch, Andreas},
  title     = {1-Oxo-1,3-dithiolanes{\`u}synthesis and stereochemistry},
  issn      = {0749-1581},
  year      = {2011},
  abstract  = {1-Oxo-1,3-dithiolane (4) and its cis- andtrans-2-methyl (5,6), -4-methyl (7,8) and -5-methyl (9,10) derivatives were prepared by oxidizing the corresponding 1,3-dithiolanes (1-3) with NaIO4 in water. The oxides were purified and their isomers separated using thin layer chromatography. The structural characterization was carried out with 1H and 13C NMR spectroscopy and molecular modelling. The sulfoxides 4-6 and 8-10 attain two S(1) type envelopes (sometimes slightly distorted) the S=Oax envelope greatly dominating. Cis-4-methyl-1-oxo-1,3-dithiolane is a special case exhibiting both two closely related S=Oax (30 and 27\%) as well as S=Oeq (21 and 22\%) forms [S(1) and C(4) envelopes, respectively]. The relative energies of these conformations, the values of 1H-1H coupling constants and 1H and 13C chemical shifts were estimated by computational methods and they support well the conclusions based on the experimental data.},
  language  = {en}
}
@article{SchreiberHosemannBeuermann2011,
  author    = {Schreiber, Ulrike and Hosemann, Benjamin and Beuermann, Sabine},
  title     = {1H,1H,2H,2H-Perfluorodecyl-Acrylate-Containing block copolymers from ARGET ATRP},
  series = {Macromolecular chemistry and physics},
  volume    = {212},
  journal   = {Macromolecular chemistry and physics},
  number    = {2},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1022-1352},
  doi       = {10.1002/macp.201000307},
  pages     = {168 -- 179},
  year      = {2011},
  abstract  = {Block copolymers of 1H,1H,2H,2H-perfluorodecyl acrylate (AC8) were obtained from ARGET ATRP. To obtain block copolymers of low dispersity the PAC8 block was synthesized in anisole with a CuBr(2)/PMDETA catalyst in the presence of tin(II) 2-ethylhexanoate as a reducing agent. The PAC8 block was subsequently used as macroinitiator for copolymerization with butyl and tert-butyl acrylate carried out in scCO(2). To achieve catalyst solubility in CO(2) two fluorinated ligands were employed. The formation of block copolymers was confirmed by size exclusion chromatography and DSC.},
  language  = {en}
}
@article{AwadSchildeStrauch2011,
  author    = {Awad, Duha Jawad and Schilde, Uwe and Strauch, Peter},
  title     = {4,4 '-Bis(tert-butyl)-2,2 '-bipyridinedichlorometal(II) - Synthesis, structure and EPR spectroscopy},
  series = {Inorganica chimica acta : the international inorganic chemistry journal},
  volume    = {365},
  journal   = {Inorganica chimica acta : the international inorganic chemistry journal},
  number    = {1},
  publisher = {Elsevier},
  address   = {Lausanne},
  issn      = {0020-1693},
  doi       = {10.1016/j.ica.2010.08.035},
  pages     = {127 -- 132},
  year      = {2011},
  abstract  = {Due to the better solubility of the 4,4'-substituted bipyridine ligand a series of 4,4'0-bis(tert-butyl)-2,2'-bipyridinedichlorometal(II) complexes, [M(tbbpy)Cl(2)], with M = Cu, Ni, Zn, Pd, Pt was synthesised and characterised. The blue copper complex 4,4'-bis(tert-butyl)-2,2'-bipyridinedichlorocopper(II) was isolated in two different polymorphic forms, as prisms 1 with a solvent inclusion and solvent-free as needles 2. Both structures were determined by X-ray structure analysis. They crystallise in the monoclinic space group P2(1)/c with four molecules in the unit cell, but with different unit cells and packing motifs. Whereas in the prisms 1, with the unit cell parameters a = 12.1613(12), b = 10.6363(7), c = 16.3074(15) angstrom, eta = 94.446(8)degrees, the packing is dominated by intra-and intermolecular hydrogen bonds, in the needles 2, with a = 7.738(1), b = 18. 333(2), c = 13.291(3) angstrom, beta = 97.512(15)degrees, only intramolecular hydrogen bonds appear and the complex molecules are arranged in columns which are stabilised by p-p-stacking interactions. In both complexes the copper has a tetrahedrally distorted coordination sphere. These copper complexes were also studied by EPR spectroscopy in solution, as frozen glass and diamagnetically diluted powder with the analogue [Pd(tbbpy)Cl(2)] as host lattice.},
  language  = {en}
}
@article{SengeRyppaFazekasetal.2011,
  author    = {Senge, Mathias O. and Ryppa, Claudia and Fazekas, Marijana and Zawadzka, Monika and Dahms, Katja},
  title     = {5,10-A2B2-Type meso-Substituted PorphyrinsuA Unique Class of Porphyrins with a Realigned Dipole Moment},
  series = {Chemistry - a European journal},
  volume    = {17},
  journal   = {Chemistry - a European journal},
  number    = {48},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0947-6539},
  doi       = {10.1002/chem.201101934},
  pages     = {13562 -- 13573},
  year      = {2011},
  abstract  = {Current applications in porphyrin chemistry require the use of unsymmetrically substituted porphyrins. Many current industrial interests in optics and biomedicine require systems with either pushpull (electron-donating and -withdrawing groups) or amphiphilic systems (hydrophobic and hydrophilic groups). In this context we present the class of 5,10-A2B2-type porphyrins for which two different substituents are positioned in diagonally opposite meso positions. Thus, the intramolecular dipole moment in these tetrapyrroles is positioned along a beta-beta vector passing through two pyrrole rings. This is opposite to the situation of the frequently used 5,15-A2BC porphyrins for which the dipole moment is oriented along a mesomeso axis. We have elaborated syntheses of the 5,10-A2B2 porphyrins by using transition-metal-catalyzed transformations of 5,10-A2 porphyrins or direct substitutions reactions thereof; this gives the target molecules in 2277\% overall yields. The compounds exhibit interesting structural, spectroscopic, and optical features and can serve as building blocks for new porphyrin arrays and applications.},
  language  = {en}
}
@article{BlandHawthornEllisLeonSavaletal.2011,
  author    = {Bland-Hawthorn, Joss and Ellis, S. C. and Leon-Saval, S. G. and Haynes, R. and Roth, Martin M. and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Horton, A. J. and Cuby, J. -G. and Birks, T. A. and Lawrence, J. S. and Gillingham, P. and Ryder, S. D. and Trinh, C.},
  title     = {A complex multi-notch astronomical filter to suppress the bright infrared sky},
  series = {Nature Communications},
  volume    = {2},
  journal   = {Nature Communications},
  number    = {50},
  publisher = {Nature Publ. Group},
  address   = {London},
  issn      = {2041-1723},
  doi       = {10.1038/ncomms1584},
  pages     = {7},
  year      = {2011},
  abstract  = {A long-standing and profound problem in astronomy is the difficulty in obtaining deep near-infrared observations due to the extreme brightness and variability of the night sky at these wavelengths. A solution to this problem is crucial if we are to obtain the deepest possible observations of the early Universe, as redshifted starlight from distant galaxies appears at these wavelengths. The atmospheric emission between 1,000 and 1,800 nm arises almost entirely from a forest of extremely bright, very narrow hydroxyl emission lines that varies on timescales of minutes. The astronomical community has long envisaged the prospect of selectively removing these lines, while retaining high throughput between them. Here we demonstrate such a filter for the first time, presenting results from the first on-sky tests. Its use on current 8 m telescopes and future 30 m telescopes will open up many new research avenues in the years to come.},
  language  = {en}
}
@article{KramerKleinpeter2011,
  author    = {Kramer, Markus and Kleinpeter, Erich},
  title     = {A conformational study of N-acetyl glucosamine derivatives utilizing residual dipolar couplings},
  series = {Journal of magnetic resonance},
  volume    = {212},
  journal   = {Journal of magnetic resonance},
  number    = {1},
  publisher = {Elsevier},
  address   = {San Diego},
  issn      = {1090-7807},
  doi       = {10.1016/j.jmr.2011.06.029},
  pages     = {174 -- 185},
  year      = {2011},
  abstract  = {The conformational analyses of six non-rigid N-acetyl glucosamine (NAG) derivatives employing residual dipolar couplings (RDCs) and NOEs together with molecular dynamics (MD) simulations are presented. Due to internal dynamics we had to consider different conformer ratios existing in solution. The good quality of the correlation between theoretically and experimentally obtained RDCs show the correctness of the calculated conformers even if the ratios derived from the MD simulations do not exactly meet the experimental data. If possible, the results were compared to former published data and commented.},
  language  = {en}
}
@misc{KramerKleinpeter2011,
  author    = {Kramer, Markus and Kleinpeter, Erich},
  title     = {A conformational study of N-acetyl glucosamine derivatives utilizing residual dipolar couplings (vol 212, pg 174, 2011)},
  series = {Journal of magnetic resonance},
  volume    = {213},
  journal   = {Journal of magnetic resonance},
  number    = {1},
  publisher = {Elsevier},
  address   = {San Diego},
  issn      = {1090-7807},
  doi       = {10.1016/j.jmr.2011.09.017},
  pages     = {210 -- 211},
  year      = {2011},
  language  = {en}
}
@article{SchmidtStaudeKellingetal.2011,
  author    = {Schmidt, Bernd and Staude, Lucia and Kelling, Alexandra and Schilde, Uwe},
  title     = {A Cross-Metathesis-Conjugate addition route to enantiopure gamma-Butyrolactams and gamma-Lactones from a C-2-Symmetric Precursor},
  series = {European journal of organic chemistry},
  journal   = {European journal of organic chemistry},
  number    = {9},
  publisher = {Wiley-Blackwell},
  address   = {Malden},
  issn      = {1434-193X},
  doi       = {10.1002/ejoc.201001528},
  pages     = {1721 -- 1727},
  year      = {2011},
  abstract  = {A protected derivative of (3R, 4R)-hexa-1,5-diene-3,4-diol, a conveniently accessible C-2-symmetric building block, undergoes single or double cross metathesis with methyl acryl-ate. The cross metathesis products are amenable to stereoselective conjugate addition reactions and can be converted into either gamma-butyrolactones or gamma-lactams.},
  language  = {en}
}
@article{ZaupaNeffePierceetal.2011,
  author    = {Zaupa, Alessandro and Neffe, Axel T. and Pierce, Benjamin F. and Lendlein, Andreas and Hofmann, Dieter},
  title     = {A molecular dynamic analysis of gelatin as an amorphous material Prediction of mechanical properties of gelatin systems},
  series = {The international journal of artificial organs},
  volume    = {34},
  journal   = {The international journal of artificial organs},
  number    = {2},
  publisher = {Wichtig},
  address   = {Milano},
  issn      = {0391-3988},
  doi       = {10.5301/IJAO.2010.6083},
  pages     = {139 -- 151},
  year      = {2011},
  abstract  = {Biomaterials are used in regenerative medicine for induced autoregeneration and tissue engineering. This is often challenging, however, due to difficulties in tailoring and controlling the respective material properties. Since functionalization is expected to offer better control, in this study gelatin chains were modified with physically interacting groups based on tyrosine with the aim of causing the formation of physical crosslinks. This method permits application-specific properties like swelling and better tailoring of mechanical properties. The design of the crosslink strategy was supported by molecular dynamic (MD) simulations of amorphous bulk models for gelatin and functionalized gelatins at different water contents (0.8 and 25 wt.-\%). The results permitted predictions to be formulated about the expected crosslink density and its influence on equilibrium swelling behavior and on elastic material properties. The models of pure gelatin were used to validate the strategy by comparison between simulated and experimental data such as density, backbone conformation angle distribution, and X-ray scattering spectra. A key result of the simulations was the prediction that increasing the number of aromatic functions attached to the gelatin chain leads to an increase in the number of physical netpoints observed in the simulated bulk packing models. By comparison with the Flory-Rehner model, this suggested reduced equilibrium swelling of the functionalized materials in water, a prediction that was subsequently confirmed by our experimental work. The reduction and control of the equilibrium degree of swelling in water is a key criterion for the applicability of functionalized gelatins when used, for example, as matrices for induced autoregeneration of tissues.},
  language  = {en}
}
@article{WessigWawrzinekMoellnitzetal.2011,
  author    = {Wessig, Pablo and Wawrzinek, Robert and Moellnitz, Kristian and Feldbusch, Elvira and Schilde, Uwe},
  title     = {A new class of fluorescent dyes based on 1,3-benzodioxole and [1,3]-dioxolo[4.5-f]benzodioxole},
  series = {Tetrahedron letters},
  volume    = {52},
  journal   = {Tetrahedron letters},
  number    = {46},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0040-4039},
  doi       = {10.1016/j.tetlet.2011.09.058},
  pages     = {6192 -- 6195},
  year      = {2011},
  abstract  = {We report on synthesis and photophysical properties of a new class of fluorescent dyes. They are characterized by large Stokes-shifts, long fluorescence lifetimes in organic solvents and a pronounced dependency of the fluorescence lifetime on the solvent polarity. Also worthy of note is the high bleaching stability. To provide access to biochemical and medical applications a series of derivatives were prepared, which exhibit specific reactivity towards different biologically relevant functional groups (carboxylic acids, amines, maleimides, N-hydroxysuccinimide esters). Furthermore, two alkynes were prepared, which could be used in 'Click' chemistry.},
  language  = {en}
}
@article{NeumannNoeskeBachetal.2011,
  author    = {Neumann, Mike and Noeske, Robert and Bach, Grete and Glaubauf, Thomas and Bartoszek, Michael and Strauch, Peter},
  title     = {A procedure for rapid determination of the silicon content in plant materials},
  series = {Zeitschrift f{\"u}r Naturforschung : B, Chemical sciences},
  volume    = {66},
  journal   = {Zeitschrift f{\"u}r Naturforschung : B, Chemical sciences},
  number    = {3},
  publisher = {De Gruyter},
  address   = {T{\"u}bingen},
  issn      = {0932-0776},
  pages     = {289 -- 294},
  year      = {2011},
  abstract  = {An efficient, reliable and low-cost procedure to determine the silicon content in plant material is presented which allows to monitor the agricultural aspects like growth and yield. The presented procedure consists of a hydrochloric acid pre-treatment and a subsequent thermal oxidation. The method is compared to other processes like dissolution in hydrofluoric acid combined with ICP OES, energy-dispersive X-ray fluorescence spectroscopy (EDXRF) or aqua regia treatment.},
  language  = {en}
}
@article{SchmidtKrehl2011,
  author    = {Schmidt, Bernd and Krehl, Stefan},
  title     = {A single precatalyst tandem RCM-allylic oxidation sequence},
  series = {Chemical communications},
  volume    = {47},
  journal   = {Chemical communications},
  number    = {20},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1359-7345},
  doi       = {10.1039/c1cc11347j},
  pages     = {5879 -- 5881},
  year      = {2011},
  abstract  = {Ring closing metathesis of allyloxy styrenes and a subsequent Ru-catalyzed allylic oxidation can be combined to a tandem sequence that makes coumarins accessible using less active but more conveniently available first generation catalysts.},
  language  = {en}
}
@article{KroenerEhlertSaalfranketal.2011,
  author    = {Kr{\"o}ner, Dominik and Ehlert, Christopher and Saalfrank, Peter and Holl{\"a}nder, Andreas},
  title     = {Ab initio calculations for XPS chemical shifts of poly(vinyl-trifluoroacetate) using trimer models},
  series = {Surface science},
  volume    = {605},
  journal   = {Surface science},
  number    = {15-16},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0039-6028},
  doi       = {10.1016/j.susc.2011.05.021},
  pages     = {1516 -- 1524},
  year      = {2011},
  abstract  = {X-ray photoelectron spectra (XPS) of the polymer poly(vinyl-trifluoroacetate) show C(1s) binding energy shifts which are unusual because they are influenced by atoms which are several bonds away from the probed atom. In this work, the influence of the trifluoroacetate substituent on the 1s ionization potential of the carbon atoms of the polyethylene chain is investigated theoretically using mono-substituted, diad and triad models of trimers representing the polymer. Carbon 1s ionization energies are calculated by the Hartree-Fock theory employing Koopmans' theorem. The influence of the configuration and conformation of the functional groups as well as the degree of substitution are found to be important determinants of XPS spectra. It is further found that the 1s binding energy correlates in a linear fashion, with the total electrostatic potential at the position of the probe atom, and depends not only on nearest neighbor effects. This may have implications for the interpretation of high-resolution XP spectra.},
  language  = {en}
}
@misc{MutludeEspinosaMeier2011,
  author    = {Mutlu, Hatice and de Espinosa, Lucas Montero and Meier, Michael A. R.},
  title     = {Acyclic diene metathesis a versatile tool for the construction of defined polymer architectures},
  series = {Chemical Society reviews},
  volume    = {40},
  journal   = {Chemical Society reviews},
  number    = {3},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {0306-0012},
  doi       = {10.1039/b924852h},
  pages     = {1404 -- 1445},
  year      = {2011},
  abstract  = {Two decades have passed since the metathesis polymerisation of alpha,omega-dienes was successfully demonstrated by the group of Wagener and the term acyclic diene metathesis (ADMET) polymerisation was coined. Since then, the advances of metathesis chemistry have allowed to expand the scope of this versatile polymerisation reaction that nowadays finds applications in different fields, such as polymer, material, or medicinal chemistry. This critical review provides an insight into the historical aspects of ADMET and a detailed overview of the work done to date applying this versatile polymerisation reaction (221 references).},
  language  = {en}
}
@article{WirthMonturetKlamrothetal.2011,
  author    = {Wirth, Jonas and Monturet, Serge and Klamroth, Tillmann and Saalfrank, Peter},
  title     = {Adsorption and (photo-) electrochemical splitting of water on rutile ruthenium dioxide},
  series = {epl : a letters journal exploring the frontiers of physics},
  volume    = {93},
  journal   = {epl : a letters journal exploring the frontiers of physics},
  number    = {6},
  publisher = {EDP Sciences},
  address   = {Mulhouse},
  issn      = {0295-5075},
  doi       = {10.1209/0295-5075/93/68001},
  pages     = {6},
  year      = {2011},
  abstract  = {In this work, the adsorption and splitting of the water molecule by light and/or an external potential is investigated in the frame of (photo-) electrochemical cells using a rutile ruthenium dioxide anode. With the help of periodic density functional calculations, the adsorbed structures of H(2)O and some radicals involved in the splitting process (O, OH, OOH) are obtained and compared with the available experimental results. On the basis of these electronic-structure calculations, we use a method to calculate the stability of the reaction intermediates and conclude on the thermodynamical possibility of the water splitting reaction at the surface. We demonstrate that a moderate overpotential of 0.64 V is required for the reaction to take place at the RuO(2)(110) surface.},
  language  = {en}
}
@phdthesis{Kristen2011,
  author    = {Kristen, Juliane Ute},
  title     = {Amphiphilic BAB-triblock copolymers bearing fluorocarbon groups : synthesis and self-organization in aqueous media},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-61782},
  school      = {Universit{\"a}t Potsdam},
  year      = {2011},
  abstract  = {In this work new fluorinated and non-fluorinated mono- and bifunctional trithiocarbonates of the structure Z-C(=S)-S-R and Z-C(=S)-S-R-S-C(=S)-Z were synthesized for the use as chain transfer agents (CTAs) in the RAFT-process. All newly synthesized CTAs were tested for their efficiency to moderate the free radical polymerization process by polymerizing styrene (M3). Besides characterization of the homopolymers by GPC measurements, end- group analysis of the synthesized block copolymers via 1H-, 19F-NMR, and in some cases also UV-vis spectroscopy, were performed attaching suitable fluorinated moieties to the Z- and/or R-groups of the CTAs. Symmetric triblock copolymers of type BAB and non-symmetric fluorine end- capped polymers were accessible using the RAFT process in just two or one polymerization step. In particular, the RAFT-process enabled the controlled polymerization of hydrophilic monomers such as N-isopropylacrylamide (NIPAM) (M1) as well as N-acryloylpyrrolidine (NAP) (M2) for the A-blocks and of the hydrophobic monomers styrene (M3), 2-fluorostyrene (M4), 3-fluorostyrene (M5), 4-fluorostyrene (M6) and 2,3,4,5,6-pentafluorostyrene (M7) for the B-blocks. The properties of the BAB-triblock copolymers were investigated in dilute, concentrated and highly concentrated aqueous solutions using DLS, turbidimetry, 1H- and 19F-NMR, rheology, determination of the CMC, foam height- and surface tension measurements and microscopy. Furthermore, their ability to stabilize emulsions and microemulsions and the wetting behaviour of their aqueous solutions on different substrates was investigated. The behaviour of the fluorine end-functionalized polymers to form micelles was studied applying DLS measurements in diluted organic solution. All investigated BAB-triblock copolymers were able to form micelles and show surface activity at room temperature in dilute aqueous solution. The aqueous solutions displayed moderate foam formation. With different types and concentrations of oils, the formation of emulsions could be detected using a light microscope. A boosting effect in microemulsions could not be found adding BAB-triblock copolymers. At elevated polymer concentrations, the formation of hydrogels was proved applying rheology measurements.},
  language  = {en}
}
@misc{KitaTokarczykJungingerBelegrinouetal.2011,
  author    = {Kita-Tokarczyk, Katarzyna and Junginger, Mathias and Belegrinou, Serena and Taubert, Andreas},
  title     = {Amphiphilic polymers at interfaces},
  series = {Advances in polymer science},
  volume    = {242},
  journal   = {Advances in polymer science},
  number    = {1},
  editor    = {Muller, AHE and Borisov, O},
  publisher = {Springer},
  address   = {Berlin},
  isbn      = {978-3-642-22297-9},
  issn      = {0065-3195},
  doi       = {10.1007/12_2010_58},
  pages     = {151 -- 201},
  year      = {2011},
  abstract  = {Self-assembly phenomena in block copolymer systems are attracting considerable interest from the scientific community and industry alike. Particularly interesting is the behavior of amphiphilic copolymers, which can self-organize into nanoscale-sized objects such as micelles, vesicles, or tubes in solution, and which form well-defined assemblies at interfaces such as air-liquid, air-solid, or liquid-solid. Depending on the polymer chemistry and architecture, various types of organization at interfaces can be expected, and further exploited for applications in nanotechnology, electronics, and biomedical sciences. In this article, we discuss the formation and characterization of Langmuir monolayers from various amphiphilic block copolymers, including chargeable and thus pH-responsivematerials. Solid-supported polymer films are reviewed in the context of alteration of surface properties by ultrathin polymer layers and the possibilities for application in tissue engineering, sensors and biomaterials. Finally, we focus on how organic and polymer monolayers influence the growth of inorganic materials. This is a truly biomimetic approach since Nature uses soft interfaces to control the nucleation, growth, and morphology of biominerals such as calcium phosphate, calcium carbonate, and silica.},
  language  = {en}
}
@phdthesis{Hass2011,
  author    = {Hass, Roland},
  title     = {Angewandte Photonendichtewellen Spektroskopie},
  address   = {Potsdam},
  pages     = {XX, 122, XXXIII S.},
  year      = {2011},
  language  = {de}
}
@article{MengibarGananMirallesetal.2011,
  author    = {Mengibar, M. and Ganan, M. and Miralles, B. and Carrascosa, A. V. and Martinez-Rodriguez, Adolfo J. and Peter, Martin G. and Heras, A.},
  title     = {Antibacterial activity of products of depolymerization of chitosans with lysozyme and chitosanase against Campylobacter jejuni},
  series = {Carbohydrate polymers : an international journal devoted to scientific and technological aspects of industrially important polysaccharides},
  volume    = {84},
  journal   = {Carbohydrate polymers : an international journal devoted to scientific and technological aspects of industrially important polysaccharides},
  number    = {2},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0144-8617},
  doi       = {10.1016/j.carbpol.2010.04.042},
  pages     = {844 -- 848},
  year      = {2011},
  abstract  = {Chitosan has several biological properties useful for the food industry, but the most attractive is its potential use as a food preservative of natural origin due to its antimicrobial activity against a wide range of food-borne microorganisms. Among food-borne pathogens, Campylobacter jejuni and related species are recognised as the most common causes of bacterial food-borne diarrhoeal disease throughout the world. Recently, it has been demonstrated that campylobacters are highly sensitive to chitosan. Even though chitosan is known to have important functional activities, poor solubility makes them difficult to use in food and biomedical applications. Unlike chitosan, the low viscosity and good solubility of chitosan oligosaccharides (COS) make them especially attractive in an important number of useful applications. In the present work, the effect of different COS on C. jejuni was investigated. Variables such as the physicochemical characteristics of chitosan and the enzyme used in COS preparation were studied. The COS had been fractioned using ultrafiltration membranes and each fraction was characterized regarding its FA and molecular weight distribution. It has been demonstrated that the biological properties of COS on Campylobacter depend on the composition of the fraction analysed. COS prepared by enzymatic hydrolysis with chitosanase were more active against Campylobacter that lysozyme-derived COS, and this behaviour seems to be related with the acetylation of the chains. On the other hand. the 10-30 kDa fraction was the most active COS fraction, independently of the enzyme used for the hydrolysis. These results have shown that COS could be useful as antimicrobial in the control of C. jejuni.},
  language  = {en}
}
@article{HaaseArlinghausTentschertetal.2011,
  author    = {Haase, Andrea and Arlinghaus, Heinrich F. and Tentschert, Jutta and Jungnickel, Harald and Graf, Philipp and Mantion, Alexandre and Draude, Felix and Galla, Sebastian and Plendl, Johanna and Goetz, Mario E. and Masic, Admir and Meier, Wolfgang P. and Thuenemann, Andreas F. and Taubert, Andreas and Luch, Andreas},
  title     = {Application of Laser Postionization Secondary Neutral Mass Spectrometry/Time-of-Flight Secondary Ion Mass Spectrometry in Nanotoxicology: Visualization of Nanosilver in Human Macrophages and Cellular Responses},
  series = {ACS nano},
  volume    = {5},
  journal   = {ACS nano},
  number    = {4},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1936-0851},
  doi       = {10.1021/nn200163w},
  pages     = {3059 -- 3068},
  year      = {2011},
  abstract  = {Silver nanoparticles (SNP) are the subject of worldwide commercialization because of their antimicrobial effects. Yet only little data on their mode of action exist. Further, only few techniques allow for visualization and quantification of unlabeled nanoparticles inside cells. To study SNP of different sizes and coatings within human macrophages, we introduce a novel laser postionization secondary neutral mass spectrometry (Laser-SNMS) approach and prove this method superior to the widely applied confocal Raman and transmission electron microscopy. With time-of-flight secondary ion mass spectrometry (TOF-SIMS) we further demonstrate characteristic fingerprints in the lipid pattern of the cellular membrane indicative of oxidative stress and membrane fluidity changes. Increases of protein carbonyl and heme oxygenase-1 levels in treated cells confirm the presence of oxidative stress biochemically. Intriguingly, affected phagocytosis reveals as highly sensitive end point of SNP-mediated adversity In macrophages. The cellular responses monitored are. hierarchically linked, but follow individual kinetics and are partially reversible.},
  language  = {en}
}
@inproceedings{VukicevicSchreiberBeuermann2011,
  author    = {Vukicevic, Radovan and Schreiber, Ulrike and Beuermann, Sabine},
  title     = {Azide-terminated poly(vinylidene fluoride) as building block for nanocomposite materials and block copolymers},
  series = {Abstracts of papers : joint conference / The Chemical Institute of Cananda, CIC, American Chemical Society, ACS},
  volume    = {242},
  booktitle = {Abstracts of papers : joint conference / The Chemical Institute of Cananda, CIC, American Chemical Society, ACS},
  number    = {16},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0065-7727},
  pages     = {1},
  year      = {2011},
  language  = {en}
}
@article{YarmanNagelGajovicEichelmannetal.2011,
  author    = {Yarman, Aysu and Nagel, Thomas and Gajovic-Eichelmann, Nenad and Fischer, Anna and Wollenberger, Ursula and Scheller, Frieder W.},
  title     = {Bioelectrocatalysis by Microperoxidase-11 in a Multilayer Architecture of Chitosan Embedded Gold Nanoparticles},
  series = {Electroanalysis : an international journal devoted to fundamental and practical aspects of electroanalysis},
  volume    = {23},
  journal   = {Electroanalysis : an international journal devoted to fundamental and practical aspects of electroanalysis},
  number    = {3},
  publisher = {Wiley-Blackwell},
  address   = {Malden},
  issn      = {1040-0397},
  doi       = {10.1002/elan.201000535},
  pages     = {611 -- 618},
  year      = {2011},
  abstract  = {We report on the redox behaviour of the microperoxidase-11 (MP-11) which has been electrostatically immobilized in a matrix of chitosan-embedded gold nanoparticles on the surface of a glassy carbon electrode. MP-11 contains a covalently bound heme c as the redox active group that exchanges electrons with the electrode via the gold nanoparticles. Electroactive surface concentration of MP-11 at high scan rate is between 350+/-50 pmol cm(-2), which reflects a multilayer process. The formal potential (E degrees') of MP-11 in the gold nanoparticles-chitosan film was estimated to be -(267.7+/-2.9) mV at pH 7.0. The heterogeneous electron transfer rate constant (k(s)) starts at 1.21 s(-1) and levels off at 6.45 s(-1) in the scan rate range from 0.1 to 2.0 V s(-1). Oxidation and reduction of MP-11 by hydrogen peroxide and superoxide, respectively have been coupled to the direct electron transfer of MP-11.},
  language  = {en}
}
@article{PrietoShkilnyyRumplaschetal.2011,
  author    = {Prieto, Susana and Shkilnyy, Andriy and Rumplasch, Claudia and Ribeiro, Artur and Javier Arias, F. and Carlos Rodriguez-Cabello, Jose and Taubert, Andreas},
  title     = {Biomimetic calcium phosphate mineralization with multifunctional elastin-like recombinamers},
  series = {Biomacromolecules : an interdisciplinary journal focused at the interface of polymer science and the biological sciences},
  volume    = {12},
  journal   = {Biomacromolecules : an interdisciplinary journal focused at the interface of polymer science and the biological sciences},
  number    = {5},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1525-7797},
  doi       = {10.1021/bm200287c},
  pages     = {1480 -- 1486},
  year      = {2011},
  abstract  = {Biomimetic hybrid materials based on a polymeric and an inorganic component such as calcium phosphate are potentially useful for bone repair. The current study reports on a new approach toward biomimetic hybrid materials using a set of recombinamers (recombinant protein materials obtained from a synthetic gene) as crystallization additive for calcium phosphate. The recombinamers contain elements from elastin, an elastic structural protein, and statherin, a salivary protein. Via genetic engineering, the basic elastin sequence was modified with the SN(A)15 domain of statherin, whose interaction with calcium phosphate is well-established. These new materials retain the biocompatibility, "smart" nature, and desired mechanical behavior of the elastin-like recombinamer (ELR) family. Mineralization in simulated body fluid (SBF) in the presence of these recombinamers reveals surprising differences. Two of the polymers inhibit calcium phosphate deposition (although they contain the statherin segment). In contrast, the third polymer, which has a triblock structure, efficiently controls the calcium phosphate formation, yielding spherical hydroxyapatite (HAP) nanoparticles with diameters from 1 to 3 nm after 1 week in SBF at 37 degrees C. However, at lower temperatures, no precipitation is observed with any of the polymers. The data thus suggest that the molecular design of ELRs containing statherin segments and the selection of an appropriate polymer structure are key parameters to obtain functional materials for the development of intelligent systems for hard tissue engineering and subsequent in vivo applications.},
  language  = {en}
}
@article{MantionGrafFloreaetal.2011,
  author    = {Mantion, Alexandre and Graf, Philipp and Florea, Ileana and Haase, Andrea and Thuenemann, Andreas F. and Masic, Admir and Ersen, Ovidiu and Rabu, Pierre and Meier, Wolfgang P. and Luch, Andreas and Taubert, Andreas},
  title     = {Biomimetic synthesis of chiral erbium-doped silver/peptide/silica core-shell nanoparticles (ESPN)},
  series = {Nanoscale},
  volume    = {3},
  journal   = {Nanoscale},
  number    = {12},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {2040-3364},
  doi       = {10.1039/c1nr10930h},
  pages     = {5168 -- 5179},
  year      = {2011},
  abstract  = {Peptide-modified silver nanoparticles have been coated with an erbium-doped silica layer using a method inspired by silica biomineralization. Electron microscopy and small-angle X-ray scattering confirm the presence of an Ag/peptide core and silica shell. The erbium is present as small Er(2)O(3) particles in and on the silica shell. Raman, IR, UV-Vis, and circular dichroism spectroscopies show that the peptide is still present after shell formation and the nanoparticles conserve a chiral plasmon resonance. Magnetic measurements find a paramagnetic behavior. In vitro tests using a macrophage cell line model show that the resulting multicomponent nanoparticles have a low toxicity for macrophages, even on partial dissolution of the silica shell.},
  language  = {en}
}
@inproceedings{SchreiberVukicevicBeuermann2011,
  author    = {Schreiber, Ulrike and Vukicevic, Radovan and Beuermann, Sabine},
  title     = {Block copolymers of poly(vinylidene fluoride) obtained via 1,3 dipolar cycloaddition},
  series = {Abstracts of papers : joint conference / The Chemical Institute of Cananda, CIC, American Chemical Society, ACS},
  volume    = {242},
  booktitle = {Abstracts of papers : joint conference / The Chemical Institute of Cananda, CIC, American Chemical Society, ACS},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0065-7727},
  pages     = {1},
  year      = {2011},
  language  = {en}
}
@article{ShkilnyySchoeneRumplaschetal.2011,
  author    = {Shkilnyy, Andriy and Sch{\"o}ne, Stefanie and Rumplasch, Claudia and Uhlmann, Annett and Hedderich, Annett and G{\"u}nter, Christina and Taubert, Andreas},
  title     = {Calcium phosphate mineralization with linear poly(ethylene imine) a time-resolved study},
  series = {Colloid and polymer science : official journal of the Kolloid-Gesellschaft},
  volume    = {289},
  journal   = {Colloid and polymer science : official journal of the Kolloid-Gesellschaft},
  number    = {8},
  publisher = {Springer},
  address   = {New York},
  issn      = {0303-402X},
  doi       = {10.1007/s00396-011-2403-2},
  pages     = {881 -- 888},
  year      = {2011},
  abstract  = {We have earlier shown that linear poly(ethylene imine) (LPEI) is an efficient growth modifier for calcium phosphate mineralization from aqueous solution (Shkilnyy et al., Langmuir, 2008, 24 (5), 2102). The current study addresses the growth process and the reason why LPEI is such an effective additive. To that end, the solution pH and the calcium and phosphate concentrations were monitored vs. reaction time using potentiometric, complexometric, and photometric methods. The phase transformations in the precipitates and particle morphogenesis were analyzed by X-ray diffraction and transmission electron microscopy, respectively. All measurements reveal steep decreases of the pH, calcium, and phosphate concentrations along with a rapid precipitation of brushite nanoparticles early on in the reaction. Brushite transforms into hydroxyapatite (HAP) within the first 2 h, which is much faster than what is reported, for example, for calcium phosphate precipitated with poly(acrylic acid). We propose that poly(ethylene imine) acts as a proton acceptor (weak buffer), which accelerates the transformation from brushite to HAP by taking up the protons that are released from the calcium phosphate precipitate during the phase transformation.},
  language  = {en}
}
@article{RiebeZuehlkeZenichowskietal.2011,
  author    = {Riebe, Daniel and Z{\"u}hlke, Martin and Zenichowski, Karl and Beitz, Toralf and Dosche, Carsten and L{\"o}hmannsr{\"o}ben, Hans-Gerd},
  title     = {Characterization of rhodamine 6G release in electrospray ionization by means of spatially resolved fluorescence spectroscopy},
  series = {Zeitschrift f{\"u}r physikalische Chemie : international journal of research in physical chemistry and chemical physics},
  volume    = {225},
  journal   = {Zeitschrift f{\"u}r physikalische Chemie : international journal of research in physical chemistry and chemical physics},
  number    = {9-10},
  publisher = {De Gruyter Oldenbourg},
  address   = {M{\"u}nchen},
  issn      = {0942-9352},
  doi       = {10.1524/zpch.2011.0149},
  pages     = {1055 -- 1072},
  year      = {2011},
  abstract  = {In the present work, the density distribution of rhodamine 6G ions (R6G) in the gas phase and the droplets of an electrospray plume was studied by spatial and spectral imaging. The intention is to contribute to the fundamental understanding of the release mechanism of gaseous R6G in the electrospray ionization (ESI) process. Furthermore, the influence of ESI-parameters on the release efficiency of R6G, e. g. solvent flow, R6G and salt concentration were examined via direct fluorescence imaging of R6G. A solvent-shift of the fluorescence maximum,lambda(max) = 555 nm in methanolic solution and lambda(max) = 505 nm in gas phase, allows the discrimination between solvated and gaseous R6G. Two experimental setups were used for our measurements. In the first experiment, the R6G fluorescence and the light scattered from the spray plume were imaged in two spatial dimensions using a tunable wavelength filter. The second experiment was designed for obtaining 1-dimensional spatially resolved emission spectra of the spray. Here, the intensity distribution of solvated and gaseous R6G as well as scattered light (lambda = 355 nm) were measured simultaneously. The results show the distribution of gaseous R6G in the plane, orthogonal to the ESI capillary, decreasing slightly towards the spray center and showing maxima at the cone margins. The distribution of gaseous R6G confirms the preferred release of gaseous ions from nano-droplets, indicating the ion evaporation model (IEM) to be the dominating release mechanism. Up to now, only a few fluorescence spectra of ionic compounds in the gas phase were published because the measurement of emission spectra of mass-selected ions in an ion trap is experimentally challenging. The fluorescence spectrum of gaseous lucigenin at atmospheric pressure is reported for the first time. This spectrum of lucigenin in the gas phase exhibits a blue shift of about Delta lambda = 10 nm in comparison to the corresponding spectrum in methanol.},
  language  = {en}
}
@article{KleinpeterKoch2011,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {Chelatoaromaticity-existing: yes or no? An answer given by spatial magnetic properties (through space NMR shieldings-TSNMRS)},
  issn      = {1463-9076},
  year      = {2011},
  language  = {en}
}
@article{KleinpeterKoch2011,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {Chelatoaromaticity-existing: yes or no? An answer given by spatial magnetic properties (through space NMR shieldings-TSNMRS)},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {13},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {46},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c1cp21942a},
  pages     = {20593 -- 20601},
  year      = {2011},
  abstract  = {The spatial magnetic properties (through space NMR shieldings-TSNMRS) of metal complexes (with ligands such as acetylacetone, 3-hydroxy-pyran(4) one) and "metallobenzenes" have been calculated by the GIAO perturbation method and visualized as Iso-Chemical-Shielding Surfaces (ICSS) of various sizes and directions. The TSNMRS values, thus obtained, can be successfully employed to quantify and visualize partial aromaticity of the metallocyclic ring by comparison with the spatial magnetic properties of the corresponding non-complexed ligands in comparable structural and electronic situations, and benzene, respectively. Because anisotropy/ring current effects in H-1 NMR spectra proved to be the molecular response property of TSNMRS, the results obtained concerning partial "chelatoaromaticity" are experimentally ensured.},
  language  = {en}
}
@article{Kroener2011,
  author    = {Kr{\"o}ner, Dominik},
  title     = {Chiral distinction by ultrashort laser pulses electron wavepacket dynamics incorporating magnetic interactions},
  series = {The journal of physical chemistry : A, Molecules, spectroscopy, kinetics, environment \& general theory},
  volume    = {115},
  journal   = {The journal of physical chemistry : A, Molecules, spectroscopy, kinetics, environment \& general theory},
  number    = {50},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1089-5639},
  doi       = {10.1021/jp207270s},
  pages     = {14510 -- 14518},
  year      = {2011},
  abstract  = {The qualitative and quantitative distinction of enantiomers is one of the key issues in chemical analysis. In the last years, circular dichroism (CD) has been combined with laser ionization mass spectrometry (LIMS), applying resonance enhanced multiphoton ionization (REMPI) with ultrashort laser pulses. We present theoretical investigations on the CD in the populations of the first electronic excited state of the REMPI process, caused by the interaction of 3-methylcyclopentanone with either left or right circular polarized fs-laser pulses. For this we performed multistate laser driven many electron dynamics based on ab initio electronic structure calculations, namely, TD-CIS(D)/6-311++(2d,2p). For a theoretical description of these experiments, a complete description of the field-dipole correlation is mandatory, including both electric field electric dipole and magnetic field magnetic dipole interactions. The effect of various pulse parameters on the CD are analyzed and compared with experimental results to gain further understanding of the key elements for an optimal distinction of enantiomers.},
  language  = {en}
}
@article{HorschUrbaschWeitzeletal.2011,
  author    = {Horsch, Philipp and Urbasch, Gunter and Weitzel, Karl-Michael and Kroener, Dominik},
  title     = {Circular dichroism in ion yields employing femtosecond laser ionization-the role of laser pulse duration},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {13},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {6},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c0cp01903h},
  pages     = {2378 -- 2386},
  year      = {2011},
  abstract  = {The circular dichroism (CD) induced by femtosecond laser pulse excitation of 3-methylcyclopentanone has been investigated by means of experiment and theory as a function of the laser pulse duration. In the experiment the CD in ion yields is measured by femtosecond laser ionization via a one-photon resonant excited state. In the theoretical part the CD is calculated by solving laser driven quantum electron dynamics for the same resonant excitation based on ab initio electronic structure calculations employing a complete description of the electric field-electric dipole and magnetic field-magnetic dipole interactions. Both the experimentally measured CD in ion yields and the calculated CD in excited state populations exhibit a marked increase of the CD for pulse duration increasing from 50 fs to about 200 fs. Beyond 200 fs pulse duration the CD levels off. The combination of experimental and theoretical evidences indicates that the CD decreases with increasing laser intensity connected to the increased coupling between the excited states.},
  language  = {en}
}
@article{LuoUtechtDokicetal.2011,
  author    = {Luo, Ying and Utecht, Manuel Martin and Dokic, Jadranka and Korchak, Sergey and Vieth, Hans-Martin and Haag, Rainer and Saalfrank, Peter},
  title     = {Cis-trans isomerisation of substituted aromatic imines a comparative experimental and theoretical study},
  series = {ChemPhysChem : a European journal of chemical physics and physical chemistry},
  volume    = {12},
  journal   = {ChemPhysChem : a European journal of chemical physics and physical chemistry},
  number    = {12},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1439-4235},
  doi       = {10.1002/cphc.201100179},
  pages     = {2311 -- 2321},
  year      = {2011},
  abstract  = {The cis-trans isomerisation of N-benzylideneaniline (NBA) and derivatives containing a central C=N bond has been investigated experimentally and theoretically. Eight different NBA molecules in three different solvents were irradiated to enforce a photochemical trans (hv) -> cis isomerisation and the kinetics of the thermal backreaction cis (Delta)-> trans were determined by NMR spectroscopy measurements in the temperature range between 193 and 288 K. Theoretical calculations using density functional theory and Eyring transition-state theory were carried out for 12 different NBA species in the gas phase and three different solvents to compute thermal isomerisation rates of the thermal back reaction. While the computed absolute rates are too large, they reveal and explain experimental trends. Time-dependent density functional theory provides optical spectra for vertical transitions and excitation energy differences between trans and cis forms. Together with isomerisation rates, the latter can be used to identify "optimal switches" with good photochromicity and reasonable thermal stability.},
  language  = {en}
}
@phdthesis{Jelicic2011,
  author    = {Jelicic, Aleksandra},
  title     = {Combining polymethacrylates and ionic liquids : a way to create and understand},
  address   = {Potsdam},
  pages     = {161 S.},
  year      = {2011},
  language  = {en}
}
@article{KirpichenkoKleinpeterUshakovetal.2011,
  author    = {Kirpichenko, Svetlana V. and Kleinpeter, Erich and Ushakov, Igor A. and Shainyan, Bagrat A.},
  title     = {Conformational Analysis of 3-Methyl-3-Silathiane and 3-Fluoro-3-Methyl-3-Silathiane},
  series = {Journal of physical organic chemistry},
  volume    = {24},
  journal   = {Journal of physical organic chemistry},
  number    = {4},
  publisher = {Wiley-Blackwell},
  address   = {Hoboken},
  issn      = {0894-3230},
  doi       = {10.1002/poc.1758},
  pages     = {320 -- 326},
  year      = {2011},
  abstract  = {The conformational equilibria of 3-methyl-3-silathiane 5, 3-fluoro-3-methyl-3-silathiane 6 and 1-fluoro-1-methyl-1- silacyclohexane 7 have been studied using low temperature C-13 NMR spectroscopy and theoretical calculations. The conformer ratio at 103 K was measured to be about 5(ax):5(eq) - 15:85, 6(ax):6(eq)-50:50 and 7(ax):7(eq)-25:75. The equatorial preference of the methyl group in 5 (0.35 kcal mol(-1)) is much less than in 3-methylthiane 9 (1.40 kcal mol(-1)) but somewhat greater than in 1-methyl-1-silacyclohexane 1 (0.23 kcal mol(-1)). Compounds 5-7 have low barriers to ring inversion: 5.65 (ax -> eq) and 6.0 kcal mol(-1) (eq -> ax) (5), 4.6 kcal mol(-1) (6), 5.1 kcal mol(-1) (Me-ax -> Me-eq), and 5.4 kcal mol(-1) (Me-eq -> Me-ax) (7). Steric effects cannot explain the observed conformational preferences, like equal population of the two conformers of 6, or different conformer ratio for 5 and 7. Actually, by employing the NBO analysis, in particular, considering the second order perturbation energies, vicinal stereoelectronic interactions between the Si-X and adjacent C-H, C-S, and C-C bonds proved responsible.},
  language  = {en}
}
@article{KleinpeterKirpichenkoUshakovetal.2011,
  author    = {Kleinpeter, Erich and Kirpichenko, Svetlana V. and Ushakov, Igor A. and Shainyan, Bagrat A.},
  title     = {Conformational analysis of 3-methyl-3-silathiane and 3-fluoro-3-methyl-3-silathiane},
  issn      = {0894-3230},
  year      = {2011},
  abstract  = {The conformational equilibria of 3-methyl-3-silathiane 5, 3-fluoro-3-methyl-3-silathiane 6 and 1-fluoro-1- methyl-1-silacyclohexane 7 have been studied using low temperature 13C NMR spectroscopy and theoretical calculations. The conformer ratio at 103;K was measured to be about 5ax:5eq;=;15:85, 6ax:6eq;=;50:50 and 7ax:7eq;=;25:75. The equatorial preference of the methyl group in 5 (0.35;kcal;mol;1) is much less than in 3-methylthiane 9 (1.40;kcal;mol;1) but somewhat greater than in 1-methyl-1- silacyclohexane 1 (0.23;kcal;mol;1). Compounds 5-7 have low barriers to ring inversion: 5.65 (ax;;;eq) and 6.0 (eq;;;ax) kcal mol;1 (5), 4.6 (6), 5.1 (Meax;;;Meeq) and 5.4 (Meeq;;;Meax) kcal;mol;1 (7). Steric effects cannot explain the observed conformational preferences, like equal population of the two conformers of 6, or different conformer ratio for 5 and 7. Actually, by employing the NBO analysis, in particular, considering the second order perturbation energies, vicinal stereoelectronic interactions between the Si-X and adjacent C-H, C-S, and C-C bonds proved responsible.},
  language  = {en}
}
@article{KleinpeterShainyanSuslova2011,
  author    = {Kleinpeter, Erich and Shainyan, Bagrat A. and Suslova, Elena N.},
  title     = {Conformational analysis of 4,4-dimethyl-4-silathiane and its S-oxides},
  year      = {2011},
  language  = {en}
}
@article{KleinpeterShainyanSuslova2011,
  author    = {Kleinpeter, Erich and Shainyan, Bagrat A. and Suslova, Elena N.},
  title     = {Conformational analysis of N-phenyl- and N-trifyl-4,4-dimethyl-4-silathiane 1-sulfimides},
  issn      = {0894-3230},
  year      = {2011},
  language  = {en}
}
@article{ShainyanSuslovaKleinpeter2011,
  author    = {Shainyan, Bagrat A. and Suslova, Elena N. and Kleinpeter, Erich},
  title     = {Conformational analysis of N-phenyl- and N-trifyl-4,4-dimethyl-4-silathiane 1-sulfimides},
  series = {Journal of physical organic chemistry},
  volume    = {24},
  journal   = {Journal of physical organic chemistry},
  number    = {8},
  publisher = {Wiley-Blackwell},
  address   = {Malden},
  issn      = {0894-3230},
  doi       = {10.1002/poc.1811},
  pages     = {698 -- 704},
  year      = {2011},
  abstract  = {N-Substituted 4,4-dimethyl-4-silathiane 1-sulfimides Me2Si(sic)S=NSO2R [R- Ph (1), CF3 (2)] were studied experimentally by variable temperature dynamic NMR spectroscopy. Low temperature 13 C NMR spectra of the two compounds revealed the frozen ring inversion process and approximately equal content of the axial and equatorial conformers. Calculations of the 4-silathiane derivatives 1, 2 and the model compound [R Me (3)] as well as their carbon analogs, the similarly N-substituted (sic)S=NSO2R thiane 1-sulfimides [R = Ph (4), CF3 (5), Me (6)] at the DFT/B3LYP/6-311G(d, p) level in the gas phase and in chloroform solution using the PCM model at the same level of theory showed a strong dependence of the relative stability of the conformer on the solvent. The electronegative trifluoromethyl group increases the relative stability of the axial conformer.},
  language  = {en}
}
@article{KreyeTothMeier2011,
  author    = {Kreye, Oliver and Toth, Tommy and Meier, Michael A. R.},
  title     = {Copolymers derived from rapeseed derivatives via ADMET and thiol-ene addition},
  series = {European polymer journal},
  volume    = {47},
  journal   = {European polymer journal},
  number    = {9},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0014-3057},
  doi       = {10.1016/j.eurpolymj.2011.06.012},
  pages     = {1804 -- 1816},
  year      = {2011},
  abstract  = {Novel (co)polymers were synthesized from substances obtained from rapeseed via ADMET and thiol-ene additions. alpha,omega-Dienes derived from oleic and erucic acid were copolymerized with a ferulic acid derivative, a representative phenolic acid (p-hydroxycinnamic acid) present, for instance, in rapeseed cake. Copolymers with different ratios of these monomers were prepared via two different routes (ADMET and thiol-ene) and studied in detail. Both monomer and polymer synthesis were optimized in order to achieve high yielding synthetic procedures that meet the requirements of green chemistry. Some thermal properties of the resulting copolymer series were then studied and correlated to the co-monomer composition.},
  language  = {en}
}
@article{KafkaHaukeSalcinovicetal.2011,
  author    = {Kafka, Stanislav and Hauke, Sylvia and Salcinovic, Arjana and Soidinsalo, Otto and Urankar, Damijana and Kosmrlj, Janez},
  title     = {Copper(I)-Catalyzed [3+2] Cycloaddition of 3-Azidoquinoline-2,4(1H,3H)-diones with terminal alkynes},
  series = {Molecules},
  volume    = {16},
  journal   = {Molecules},
  number    = {5},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {1420-3049},
  doi       = {10.3390/molecules16054070},
  pages     = {4070 -- 4081},
  year      = {2011},
  abstract  = {3-Azidoquinoline-2,4(1H,3H)-diones 1, which are readily available from 4-hydroxyquinolin-2(1H)-ones 4 via 3-chloroquinoline-2,4(1H, 3H)-diones 5, afford, in copper(I)-catalyzed [3 + 2] cycloaddition reaction with terminal acetylenes, 1,4-disubstituted 1,2,3-triazoles 3 in moderate to excellent yields. The structures of compounds 3 were confirmed by (1)H and (13)C-NMR spectroscopy, combustion analyses and mass spectrometry.},
  language  = {en}
}
@article{KozlevcarGamezdeGelderetal.2011,
  author    = {Kozlevcar, Bojan and Gamez, Patrick and de Gelder, Rene and Jaglicic, Zvonko and Strauch, Peter and Kitanovski, Nives and Reedijk, Jan},
  title     = {Counterion and solvent effects on the primary coordination sphere of copper(II) Bis(3,5-dimethylpyrazol-1-yl)acetic acid coordination compounds},
  series = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  journal   = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe},
  number    = {24},
  publisher = {Wiley-Blackwell},
  address   = {Malden},
  issn      = {1434-1948},
  doi       = {10.1002/ejic.201100410},
  pages     = {3650 -- 3655},
  year      = {2011},
  abstract  = {Four copper(II) coordination compounds with the neutral ligand bis(3,5-dimethylpyrazol-1-yl)acetic acid (Hbdmpza, C(12)H(16)N(4)O(2)) and its anionic form (bdmpza(-)), namely [Cu(Hbdmpza)(2)](HSO(4))(2) (1), [Cu(Hbdmpza)(2)]Cl(2) (2), [Cu(bdmpza)(2)](CH(3)COOH)(H(2)O) (3), and [Cu(bdmpza)(2)][Cu(2)(O(2)CCH(3))(4)] (4) have been synthesized starting from different metal salts. All the compounds have been fully characterized by physical and analytical methods. In addition, a single-crystal XRD analysis revealed the 3D structure of 1, which exhibits tridentate, vicinal N,N,O-coordination of two symmetry-related Hbdmpza ligands in an elongated octahedral arrangement with four equatorial nitrogen atoms and two axial oxygen atoms. The neutral carboxylic moiety acts as a hydrogen-bond donor to a HSO(4)(-) counterion. The two hydrogensulfates form a unique hydrogen-bonded pair (HSO(4)(-))(2) with very short O center dot center dot center dot O distances (2.59 angstrom) bridged between adjacent [Cu(HL)(2)](2+) coordination units. Also a short O center dot center dot center dot O contact (2.54 angstrom) is present between the C-OH and an 0 of a hydrogensulfate. A characteristic IR C=O vibration is observed at 1700 cm(-1) for 1 and 2, whereas the v(as)(O(2)C) vibration is present at 1650 cm(-1) for 3 and 4. These IR data strongly suggest the presence of Hbdmpza ligands in 1 and 2 and the deprotonated form bdmpza- in 3 and 4. A mononuclear coordination unit [CuL(2)], as proven for 1 by X-ray diffraction, is also proposed for the other compounds 2-4. In compound 4, an additional dinuclear [Cu(2)(O(2)CCH(3))(4)] neutral coordination unit is present, as deduced from the vibration bands v(as)(O(2)C) at 1600 cm(-1) and v(s)(O(2)C) at 1420 cm(-1), which are typical of a carboxylate function, and from the two-species analysis of the chi(M)T(T) curve of the magnetic susceptibility data (2J = -322 cm(-1)). Also, the EPR spectra recorded at different temperatures agree with this structure.},
  language  = {en}
}
@article{BiermannMeierButteetal.2011,
  author    = {Biermann, Ursula and Meier, Michael A. R. and Butte, Werner and Metzger, J{\"u}rgen O.},
  title     = {Cross-metathesis of unsaturated triglycerides with methyl acrylate synthesis of a dimeric metathesis product},
  series = {European journal of lipid science and technology},
  volume    = {113},
  journal   = {European journal of lipid science and technology},
  number    = {1},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1438-7697},
  doi       = {10.1002/ejlt.201000109},
  pages     = {39 -- 45},
  year      = {2011},
  abstract  = {Highly functionalized dimeric triglycerides, such as compound 2, are obtained as minor products besides branched macromolecules from the acyclic triene metathesis (ATMET) polymerization of unsaturated triglycerides such as glyceryl triundec-10-enoate 1 and methyl acrylate (MA) in the presence of the second generation Hoveyda-Grubbs catalyst. The formed amount of interesting products of lower molecular weight during the ATMET reaction depends on the ratio of MA and triglyceride, reaction time, and temperature. We isolated the dimeric metathesis product 2 and synthesized the respective partially hydrogenated dimer 3 regioselectivly in a seven step reaction sequence starting from 10-undecenoic acid 7 and glycerol. Product 3 was unambiguously characterized by (13)C and (1)H NMR and MS as well as the further intermediate products of the seven step reaction including 10,11 bromo-undecanoic acid 8, the respective brominated 1,3-diglyceride 9, the brominated 1,3-triglyceride 6, and the self-metathesis products 4 and 5 which were isolated and purified.},
  language  = {en}
}
@article{WessigMoellnitzKellingetal.2011,
  author    = {Wessig, Pablo and M{\"o}llnitz, Kristian and Kelling, Alexandra and Schilde, Uwe},
  title     = {Crystal structure of 1r,2c,3c,4t,5t,6t-1,2,3,4,5,6-hexakis-trimethylsilanyloxy-cyclohexane, C24H60O6Si6},
  series = {Zeitschrift f{\"u}r Kristallographie : international journal for structural, physical and chemical aspects of crystalline materials ; New crystal structures},
  volume    = {226},
  journal   = {Zeitschrift f{\"u}r Kristallographie : international journal for structural, physical and chemical aspects of crystalline materials ; New crystal structures},
  number    = {2},
  publisher = {De Gruyter Oldenbourg},
  address   = {M{\"u}nchen},
  issn      = {1433-7266},
  doi       = {10.1524/ncrs.2011.0105},
  pages     = {228 -- 230},
  year      = {2011},
  abstract  = {C24H60O6Si6, triclinic, P (1) over bar (no. 2), a = 11.307(2) angstrom, b = 12.159(2) angstrom, = 16.576(2) angstrom, alpha = 109.47(1)degrees, beta = 94.64(1)degrees, gamma = 111.65(1)degrees, V = 1942.3 angstrom(3), Z = 2, R-gt(F) = 0.043, wR(ref)(F-2) = 0.118, T = 210 K.},
  language  = {en}
}
@phdthesis{Berger2011,
  author    = {Berger, Ren{\´e}},
  title     = {Die Deacetylierungs- Diazotierungs- Kupplungssequenz : Synthese von Aryldiazoniumtetrafluoroboraten aus Acetaniliden und deren in situ-Umsetzung mit Alken, Alkinen und Kaliumorganifluoroboraten},
  address   = {Potsdam},
  pages     = {215 S.},
  year      = {2011},
  language  = {de}
}
@phdthesis{Weber2011,
  author    = {Weber, Nancy},
  title     = {Die Synthese "schizomorpher" Copolymer - Latexteilchen},
  address   = {Potsdam},
  pages     = {119 S.},
  year      = {2011},
  language  = {de}
}
@article{BartlettJankunasGoswamietal.2011,
  author    = {Bartlett, Nate C. -M. and Jankunas, Justin and Goswami, Tapas and Zare, Richard N. and Bouakline, Foudhil and Althorpe, Stuart C.},
  title     = {Differential cross sections for H + D-2 -> HD(v '=2, j '=0,3,6,9) + D at center-of-mass collision energies of 1.25, 1.61, and 1.97 eV},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {13},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {18},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c0cp02460k},
  pages     = {8175 -- 8179},
  year      = {2011},
  abstract  = {We have measured differential cross sections (DCSs) for the reaction H + D-2 -> HD- (v' = 2, j' = 0,3,6,9) + D at center-of-mass collision energies E-coll of 1.25, 1.61, and 1.97 eV using the photoloc technique. The DCSs show a strong dependence on the product rotational quantum number. For the HD(v' = 2, j' = 0) product, the DCS is bimodal but becomes oscillatory as the collision energy is increased. For the other product states, they are dominated by a single peak, which shifts from back to sideward scattering as j' increases, and they are in general less sensitive to changes in the collision energy. The experimental results are compared to quantum mechanical calculations and show good, but not fully quantitative agreement.},
  language  = {en}
}
@article{FuechselKlamrothMonturetetal.2011,
  author    = {F{\"u}chsel, Gernot and Klamroth, Tillmann and Monturet, Serge and Saalfrank, Peter},
  title     = {Dissipative dynamics within the electronic friction approach the femtosecond laser desorption of H-2/D-2 from Ru(0001)},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {13},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {19},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c0cp02086a},
  pages     = {8659 -- 8670},
  year      = {2011},
  abstract  = {An electronic friction approach based on Langevin dynamics is used to describe the multidimensional (six-dimensional) dynamics of femtosecond laser induced desorption of H-2 and D-2 from a H(D)-covered Ru(0001) surface. The paper extends previous reduced-dimensional models, using a similar approach. In the present treatment forces and frictional coefficients are calculated from periodic density functional theory (DFT) and essentially parameter-free, while the action of femtosecond laser pulses on the metal surface is treated by using the two-temperature model. Our calculations shed light on the performance and validity of various adiabatic, non-adiabatic, and Arrhenius/Kramers type kinetic models to describe hot-electron mediated photoreactions at metal surfaces. The multidimensional frictional dynamics are able to reproduce and explain known experimental facts, such as strong isotope effects, scaling of properties with laser fluence, and non-equipartitioning of vibrational, rotational, and translational energies of desorbing species. Further, detailed predictions regarding translations are made, and the question for the controllability of photoreactions at surfaces with the help of vibrational preexcitation is addressed.},
  language  = {en}
}
@article{TremblayKlinkuschKlamrothetal.2011,
  author    = {Tremblay, Jean Christophe and Klinkusch, Stefan and Klamroth, Tillmann and Saalfrank, Peter},
  title     = {Dissipative many-electron dynamics of ionizing systems},
  series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  volume    = {134},
  journal   = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  number    = {4},
  publisher = {American Institute of Physics},
  address   = {Melville},
  issn      = {0021-9606},
  doi       = {10.1063/1.3532410},
  pages     = {10},
  year      = {2011},
  abstract  = {In this paper, we perform many-electron dynamics using the time-dependent configuration-interaction method in its reduced density matrix formulation (rho-TDCI). Dissipation is treated implicitly using the Lindblad formalism. To include the effect of ionization on the state-resolved dynamics, we extend a recently introduced heuristic model for ionizing states to the rho-TDCI method, which leads to a reduced density matrix evolution that is not norm-preserving. We apply the new method to the laser-driven excitation of H(2) in a strongly dissipative environment, for which the state-resolve lifetimes are tuned to a few femtoseconds, typical for dynamics of adsorbate at metallic surfaces. Further testing is made on the laser-induced intramolecular charge transfer in a quinone derivative as a model for a molecular switch. A modified scheme to treat ionizing states is proposed to reduce the computational burden associated with the density matrix propagation, and it is thoroughly tested and compared to the results obtained with the former model. The new approach scales favorably (similar to N(2)) with the number of configurations N used to represent the reduced density matrix in the rho-TDCI method, as compared to a N(3) scaling for the model in its original form.},
  language  = {en}
}