@article{StrehmelRexhausenStrauchetal.2010,
  author    = {Strehmel, Veronika and Rexhausen, Hans and Strauch, Peter and Strehmer, Bernd},
  title     = {Temperature dependence of interactions between stable piperidine-1-yloxyl derivatives and a semicrystalline ionic liquid},
  issn      = {1439-4235},
  doi       = {10.1002/cphc.200900977},
  year      = {2010},
  abstract  = {The stable 2,2,6,6-tetramethylpiperidine-1-yloxyl and its derivatives with hydrogen-bond-forming (-OH, -OSO3H), anionic (-OSO3- bearing K+ or [K(18-crown-6)](+) as counter ion), or cationic (-N+-(CH3)(3) bearing I-, BF4-, PF6- or N- (SO2CF3)(2) as counter ion) substituents are investigated in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide over a wide temperature range. The temperature dependence of the viscosity of the ionic liquid is well described by the Vogel-Fulcher-Tammann equation. Interestingly, the temperature dependence of the rotational correlation time of the spin probes substituted with either a hydrogen-bond-forming group or an ionic substituent can be described using the Stokes-Einstein equation. In contrast, the temperature dependence of the rotational correlation time of the spin probe without an additional substituent at the 4-position to the nitroxyl group does not follow this trend. The activation energy for the mobility of the unsubstituted spin probe, determined from an Arrhenius plot of the spin-probe mobility in the ionic liquid above the melting temperature, is comparable with the activation energy for the viscous flow of the ionic liquid, but is higher for spin probes bearing an additional substituent at the 4-position. Quantum chemical calculations of the spin probes using the 6-31G+d method give information about the rotational volume of the spin probes and the spin density at the nitrogen atom of the radical structure as a function of the substituent at the spin probes in the presence and absence of a counter ion. The results of these calculations help in understanding the effect of the additional substituent on the experimentally determined isotropic hyperfine coupling constant.},
  language  = {en}
}
@article{StrehmelRexhausenStrauch2010,
  author    = {Strehmel, Veronika and Rexhausen, Hans and Strauch, Peter},
  title     = {Influence of imidazolium bis(trifluoromethylsulfonylimide)s on the rotation of spin probes comprising ionic and hydrogen bonding groups},
  issn      = {1463-9076},
  doi       = {10.1039/B920586a},
  year      = {2010},
  abstract  = {The influence of the alkyl chain length in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonylimide)s is studied to explore the rotation of piperidine-1-yloxyl derivatives substituted with either hydrogen bonding hydroxy group or ionic substituents, such as the cationic trimethylammonium or the anionic sulfate group placed at the 4 position. Structural variation of the ionic liquids results in differences of their viscosity influencing the rotation of the spin probes. The size of the average rotational correlation times of the spin probes dissolved in the ionic liquids depends further on the additional substituent in 4-position at these spin probes. The rotational correlation time exhibits a linear dependence on the ionic liquid viscosity in the case of the spin probe forming hydrogen bonding with the ionic liquids. In contrast to this, a deviation from the Stokes-Einstein behavior is found in the case of rotation of the charged spin probes in the 1-alkyl-3-methylimidazolium bis( trifluoromethylsulfonylimide) s substituted with a longer alkyl chain. This effect may be explained by phase separation on a molecular level between the charged part of the ionic liquid and the longer alkyl chains bound at the imidazolium ion. Although the neutral and the cationic spin probes show only a slight dependence between ionic liquid structure variation and the hyperfine coupling constants, structural effects cause changes in the hyperfine coupling constants in the case of the anionic spin probes. These probes strongly interact with the imidazolium ion.},
  language  = {en}
}
@article{StrehmelRexhausenStrauch2010,
  author    = {Strehmel, Veronika and Rexhausen, Hans and Strauch, Peter},
  title     = {2,2,6,6-Tetramethylpiperidine-1-yloxyl bound to the imidazolium ion by an acetamido group for investigation of ionic liquids},
  issn      = {0040-4039},
  doi       = {10.1016/j.tetlet.2009.11.124},
  year      = {2010},
  abstract  = {New spin probes bearing the 2,2,6,6-tetramethylpiperidine-1-yloxyl covalently bound to the imidazolium ion via a methylene spacer and an amide group are synthesized. If the anion is bis(trifluoromethylsulfonylimide) instead of iodide, the new spin probe has a similar structure as that of an ionic liquid. Nevertheless, the new spin probes are useful tools to investigate ionic liquids.},
  language  = {en}
}
@article{StrehmelLungwitzRexhausenetal.2010,
  author    = {Strehmel, Veronika and Lungwitz, Ralf and Rexhausen, Hans and Spange, Stefan},
  title     = {Relationship between hyperfine coupling constants of spin probes and empirical polarity parameters of some ionic liquids},
  issn      = {1144-0546},
  doi       = {10.1039/C0nj00253d},
  year      = {2010},
  abstract  = {The polarity of 1-alkyl-3-methylimidazolium-based ionic liquids containing hexafluorophosphate, tetrafluoroborate, dicyanoimide, or bis(trifluoromethanesulfonyl) imide as anions and a variation of the alkyl-chain length of the cation are investigated by both solvatochromic dyes and spin probes. Two different polarity scales are used for discussion of the polarity of these ionic liquids. These polarity scales are the empirical Kamlet-Taft parameters alpha, beta, and pi* and the hyperfine coupling constants A(iso)(N-14) obtained for spin probes substituted either with an ammonio or a sulfate group at 4-position. The results show that both polarity scales are valid for description of the ionic liquid polarity although differences are found between the two polarity scales. The most clear trend is found in all ionic liquids investigated for the hydrogen-bond accepting ability (beta) and the hyperfine- coupling constant of the anionic spin probe, where both parameters increase for all ionic liquids investigated until an alkyl chain length of eight carbon atoms and keep constant at longer alkyl chains.},
  language  = {en}
}
@article{SkrabaniavonBerlepschBoettcheretal.2010,
  author    = {Skrabania, Katja and von Berlepsch, Hans and B{\"o}ttcher, Christoph and Laschewsky, Andr{\´e}},
  title     = {Synthesis of ternary, hydrophilic-lipophilic-fluorophilic block copolymers by consecutive RAFT polymerizations and their self-assembly into multicompartment micelles},
  issn      = {0024-9297},
  doi       = {10.1021/Ma901913f},
  year      = {2010},
  abstract  = {Linear amphiphilic diblock and ternary triblock copolymers were synthesized by the RAFT method in three Successive Steps, using oligo(ethylene oxide) monomethyl ether acrylate, butyl or 2-ethylhexyl acrylate, and 1H, 1H, 2H, 2H-perfluorodecyl acrylate. The diblock and the triblock copolymers, which consist of a hydrophilic, a lipophilic, and a fluorophilic block, self-assemble in water into spherical micellar aggregates. Imaging by cryogenic transmission electron microscopy (cryo-TEM) revealed that the cores of the micellar aggregates made from these "triphilic" copolymers undergo local phase separation to form various ultrastructures, which depend sensitivity on the given block sequence. While the sequence hydrophilic-lipophilic-fluorophilic resulted in multicompartment cores with core-shell-corona morphology, the sequence lipophilic-hydrophilic-fluorophilic provided new "patched double micelle" and larger "soccer ball" structures.},
  language  = {en}
}
@article{SiegmannBeuermann2010,
  author    = {Siegmann, Rebekka and Beuermann, Sabine},
  title     = {Individual rate coefficients for 1H,1H,2H,2H-tridecafluorooctyl methacrylate radical polymerizations},
  issn      = {0024-9297},
  doi       = {10.1021/Ma902653b},
  year      = {2010},
  abstract  = {Kinetic data for radical polymerizations of 1H,1H,2H,2H-tridecafluorooctyl methacrylate (TDFOMA) in bulk is reported. Pulsed laser initiated polymerizations yield propagation rate coefficients, k(p), which are by a factor of 1.9 higher than methyl methacrylate k(p). The activation energy of TDFOMA k(p) is not significantly different from that of alkyl methacrylates. Chain-length averaged termination rate coefficients were estimated from chemically initiated polymerizations with in-line FT-NIR spectroscopic monitoring of monomer conversion. Up to 30\% of monomer conversion TDFOMA termination rate coefficients are only slightly below MMA low conversion values. The result is suggested to be due to less interactions between the macroradicals compared to nonfluorinated systems.},
  language  = {en}
}
@article{SengeShakerPinteaetal.2010,
  author    = {Senge, Mathias O. and Shaker, Yasser M. and Pintea, Monica and Ryppa, Claudia and Hatscher, Sabine S. and Ryan, Aoife and Sergeeva, Yulia},
  title     = {Synthesis of meso-substituted ABCD-Type porphyrins by functionalization reactions},
  issn      = {1434-193X},
  doi       = {10.1002/ejoc.200901113},
  year      = {2010},
  abstract  = {Considerable progress has been made in recent years in the search for synthetic methods leading to functionalized porphyrins, especially for modification of either the beta- or meso positions. For the latter, total synthesis based on condensation methods or partial synthesis through functionalization of preformed porphyrin have emerged as possible methods. The increasing number of possible technical and medicinal applications for unsymmetrically meso-substituted porphyrins requires straightforward methods for the preparation of the so-called ABCD-porphyrins, i.e., porphyrins with up to four different meso substituents. Here, we describe new strategies for the synthesis of ABCD-type porphyrins based on porphyrin reactions with organolithium reagents and the use of Pd-catalyzed coupling reactions. With the whole repertoire of contemporary functionalization methods, a comprehensive analysis and comparison of the various strategies for A-, AB-, A(2)B-, ABC-, A(2)BC- and ABCD-type porphyrins is given. In addition, we report on the synthesis of new functionalized derivatives for some of these porphyrin classes. In practical terms and taking an applied-science- oriented approach, the synthesis of unsymmetrically meso-substituted porphyrins is best accomplished by a combination of well-developed condensation methods with subsequent functionalization. by organolithium compounds or transition-metal- catalyzed coupling protocols. The methods described are suitable for the preparation of porphyrins for many divergent applications ranging over amphiphilic porphyrins for photodynamic therapy, push-pull systems for optical applications and chiral systems useful in catalysis to donor-acceptor systems suitable for electron-transfer studies.},
  language  = {en}
}
@article{SchwarzeMicklerDoscheetal.2010,
  author    = {Schwarze, Thomas and Mickler, Wulfhard and Dosche, Carsten and Flehr, Roman and Klamroth, Tillmann and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Saalfrank, Peter and Holdt, Hans-J{\"u}rgen},
  title     = {Systematic investigation of photoinduced electron transfer controlled by internal charge transfer and its consequences for selective PdCl2 coordination},
  issn      = {0947-6539},
  doi       = {10.1002/chem.200902281},
  year      = {2010},
  abstract  = {Fluoroionophores of fluorophore-spacer-receptor format were prepared for detection of PdCl2 by fluorescence enhancement. The fluorophore probes 1-13 consist of a fluorophore group, in alkyl spacer and a dithiomaleonitrile PdCl2 receptor. First, varying the length of the alkylene spacer (compounds 1-3) revealed, dominant through-space pathway for oxidative photoinduced electron transfer (PET) in CH2-bridged dithiomaleonitrile fluoroionophores. Second. fluorescent probes 4-9 containing two anthracene or pyrene fragments connected through CH2 bridges to the dithiomaleonitrile unit were synthesized. Modulation of the oxidation potential (E-Ox) through electron-withdrawing or -donating groups on the anthracene moiety regulates file thermodynamic driving force for oxidative PET (Delta G(PET)) in bis(anthrylmethylthio)maleonitriles and therefore the fluorescence quantum yields (Phi(f)), too. The new concept was confirmed and transferred to pyrenyl ligands, and fluorescence enhancements (FE) greater than 3.2 in the presence of PdCl2 were achieved by 7 and 8 (FE=5.4 and 5.2). Finally, for comparison, monofluorophore ligands 10-13 were synthesized.},
  language  = {en}
}
@article{SchmidtHagenBreteetal.2010,
  author    = {Schmidt, Roland and Hagen, Sebastian and Brete, Daniel and Carley, Robert and Gahl, Cornelius and Dokic, Jadranka and Saalfrank, Peter and Hecht, Stefan and Tegeder, Petra and Weinelt, Martin},
  title     = {On the electronic and geometrical structure of the trans- and cis-isomer of tetra-tert-butyl-azobenzene on Au(111)},
  issn      = {1463-9076},
  doi       = {10.1039/B924409c},
  year      = {2010},
  abstract  = {Near edge X-ray absorption. ne structure and X-ray photoelectron spectroscopy have been employed to follow the reversible trans to cis isomerization of tetra-tert-butyl-azobenzene (TBA) adsorbed on Au(111). For one monolayer the molecules adopt an adsorption geometry characteristic of the trans-TBA isomer. The azo-bridge (N = N) is aligned nearly parallel to the surface and the phenyl rings exhibit a planar orientation with a small tilt angle <= 4 degrees with respect to the surface normal. Illumination of the molecular layer at 455 nm triggers the trans to cis isomerization which is associated with a pronounced change of the geometrical and electronic structure. The N1s to pi* transition of the central azo-bridge shifts by 0.45 +/- 0.05 eV to higher photon energy and the transition dipole moment (TDM) is tilted by 59 +/- 5 degrees with respect to the surface normal. The pi-system of one phenyl ring is tilted by about 30 degrees with respect to the surface normal, while the second ring plane is oriented nearly perpendicular to the surface. This reorientation is supported by a shift and broadening of the C-H resonances associated with the tert-butyl legs of the molecule. These findings support a configuration of the photo-switched TBA molecule on Au(111) which is comparable to the cis-isomer of the free molecule. In the photo-stationary state 53 +/- 5\% of the TBA molecules are switched to the cis configuration. Thermal activation induces the back reaction to trans-TBA.},
  language  = {en}
}
@article{ZehmLaschewskyGradzielskietal.2010,
  author    = {Zehm, Daniel and Laschewsky, Andr{\´e} and Gradzielski, Michael and Pr{\´e}vost, Sylvain and Liang, Hua and Rabe, J{\"u}rgen P. and Schweins, Ralf and Gummel, J{\´e}r{\´e}mie},
  title     = {Amphiphilic dual brush block copolymers as "giant surfactants" and their aqueous self-assembly},
  issn      = {0743-7463},
  doi       = {10.1021/La903087p},
  year      = {2010},
  abstract  = {Amphiphilic dual brush diblock as well as symmetrical triblock polymers were synthesized by the overlay of the reversible addition-fragmentation chain transfer and the nitroxide mediated polymerization (NMP) techniques. While poly(ethylene glycol) brushes served as hydrophilic block, the hydrophobic block was made of polystyrene brushes. The resulting "giant surfactants" correspond structurally to the established amphiphilic diblock and triblock copolymer known as macrosurfactants. The aggregation behavior of the novel "giant surfactants" in aqueous solution was studied by dynamic light scattering, small-angle neutron scattering (SANS), and small-angle X-ray scattering (SAXS) over a large range in reciprocal space. Further, the self-assembled aggregates Were investigated by scanning force microscopy (SFM) after deposition on differently functionalized ultraflat solid substrates. Despite the high fraction of hydrophobic segments, the polymers form stable mesoscopic, spherical aggregates with hydrodynamic diameters in the range of 150-350 nm. Though prepared from well-defined individual polymers, the aggregates show several similarities to hard core latexes. They are stable enough to he deposited without much changes onto surfaces, where they cluster and show Spontaneous sorting according to their size within the clusters, with the larger aggregates being in the center.},
  language  = {en}
}
@article{WitzelGoetzeEbenhoeh2010,
  author    = {Witzel, Franziska and Goetze, Jan and Ebenhoeh, Oliver},
  title     = {Slow deactivation of ribulose 1,5-bisphosphate carboxylase/oxygenase elucidated by mathematical models},
  issn      = {1742-464X},
  doi       = {10.1111/j.1742-4658.2009.07541.x},
  year      = {2010},
  abstract  = {Ribulose 1,5-bisphosphate carboxylase/oxygenase (RuBisCO) is the key enzyme of the Calvin cycle, catalyzing the fixation of inorganic carbon dioxide to organic sugars. Unlike most enzymes, RuBisCO is extremely slow, substrate unspecific, and catalyzes undesired side-reactions, which are considered to be responsible for the slow deactivation observed in vitro, a phenomenon known as fallover. Despite the fact that amino acid sequences and the 3D structures of RuBisCO from a variety of species are known, the precise molecular mechanisms for the various side reactions are still unclear. In the present study, we investigate the kinetic properties of RuBisCO using mathematical models. Initially, we formulate a minimal model that quantitatively reflects the kinetic behavior of RuBisCOs from different organisms. By relating rate parameters for single molecular steps to experimentally determined K-m and V-max values, we can examine mechanistic differences among species. The minimal model further demonstrates that two inhibitor producing side reactions are sufficient to describe experimentally determined fallover kinetics. To explain the observed kinetics of the limited capacity of RuBisCO to accept xylulose 1,5-bisphosphate as substrate, the inclusion of other side reactions is necessary. Our model results suggest a yet undescribed alternative enolization mechanism that is supported by the molecular structure. Taken together, the presented models serve as a theoretical framework to explain a wide range of observed kinetic properties of RuBisCOs derived from a variety of species. Thus, we can support hypotheses about molecular mechanisms and can systematically compare enzymes from different origins.},
  language  = {en}
}
@article{WischerhoffBadiLutzetal.2010,
  author    = {Wischerhoff, Erik and Badi, Nezha and Lutz, Jean-Francois and Laschewsky, Andr{\´e}},
  title     = {Smart bioactive surfaces},
  issn      = {1744-683X},
  doi       = {10.1039/B913594d},
  year      = {2010},
  abstract  = {The purpose of this highlight is to define the emerging field of bioactive surfaces. In recent years, various types of synthetic materials capable of "communicating'' with biological objects such as nucleic acids, proteins, polysaccharides, viruses, bacteria or living cells have been described in the literature. This novel area of research certainly goes beyond the traditional field of smart materials and includes different types of sophisticated interactions with biological entities, such as reversible adhesion, conformational control, biologically-triggered release and selective permeation. These novel materials may be 2D planar surfaces as well as colloidal objects or 3D scaffolds. Overall, they show great promise for numerous applications in biosciences and biotechnology. For instance, practical applications of bioactive surfaces in the fields of bioseparation, cell engineering, biochips and stem-cell differentiation are briefly discussed herein.},
  language  = {en}
}
@article{LazarevaShainyanKleinpeter2010,
  author    = {Lazareva, Nataliya F. and Shainyan, Bagrat A. and Kleinpeter, Erich},
  title     = {4-Alkyl-2,2,6,6-tetramethyl-1,4,2,6-oxaazadisilinanes : synthesis, structure, and conformational analysis},
  issn      = {0894-3230},
  doi       = {10.1002/Poc.1605},
  year      = {2010},
  abstract  = {4-Alkyl-2,2,6,6-tetramethyl-1,4,2,6-oxaazadisilinanes RN[CH2Si(Me)2]2O [R = Me (1), i-Pr (2)] were synthesized by two methods which provided good yields up to 84\%. Low temperature NMR study of compounds (1) and (2) revealed a frozen ring inversion with the energy barriers of 8.5 and 7.7 kcal/mol at 163 and 143 K, respectively, which is substantially lower than that for their carbon analog, N-methylmorpholine. DFT calculations performed on the example of molecule (1) showed that N-Meax conformer to exist in the sofa conformation with the coplanar fragment C-Si-O-Si-C, and its N-Meeq conformer in a flattened chair conformation.},
  language  = {en}
}
@article{KirpichenkoKleinpeterShainyan2010,
  author    = {Kirpichenko, Svetlana V. and Kleinpeter, Erich and Shainyan, Bagrat A.},
  title     = {Conformational analysis of 3,3-dimethyl-3-silathiane, 2,3,3-trimethyl-3-silathiane and 2-trimethylsilyl-3,3- dimethyl-3-silathiane{\`u}preferred conformers, barriers to ring inversion and substituent effec},
  issn      = {0894-3230},
  year      = {2010},
  abstract  = {The first conformational analysis of 3-silathiane and its C-substituted derivatives, namely, 3,3-dimethyl-3- silathiane 1, 2,3,3-trimethyl-3-silathiane 2, and 2-trimethylsilyl-3,3-dimethyl-3-silathiane 3 was performed by using dynamic NMR spectroscopy and B3LYP/6-311G(d,p) quantum chemical calculations. From coalescence temperatures, ring inversion barriers ;G; for 1 and 2 were estimated to be 6.3 and 6.8;kcal/mol, respectively. These values are considerably lower than that of thiacyclohexane (9.4;kcal/mol) but slightly higher than the one of 1,1- dimethylsilacyclohexane (5.5;kcal/mol). The conformational free energy for the methyl group in 2 (;;G°;=;0.35;kcal/mol) derived from low-temperature 13C NMR data is fairly consistent with the calculated value. For compound 2, theoretical calculations give ;E value close to zero for the equilibrium between the 2-Meax and 2-Meeq conformers. The calculated equatorial preference of the trimethylsilyl group in 3 is much more pronounced (;;G°;=;1.8;kcal/mol) and the predominance of the 3-SiMe3 eq conformer at room temperature was confirmed by the simulated 1H NMR and 2D NOESY spectra. The effect of the 2-substituent on the structural parameters of 2 and 3 is discussed.},
  language  = {en}
}
@article{KleinpeterBoelkeKoch2010,
  author    = {Kleinpeter, Erich and Boelke, Ute and Koch, Andreas},
  title     = {Subtle Trade-off Existing between (Anti)Aromaticity, Push-Pull Interaction, Keto-Enol Tautomerism, and Steric Hindrance When Defining the Electronic Properties of Conjugated Structures},
  issn      = {1089-5639},
  year      = {2010},
  language  = {en}
}
@article{KleinpeterBoelkeKreicberga2010,
  author    = {Kleinpeter, Erich and Boelke, Ute and Kreicberga, Jana},
  title     = {Quantification of the push-pull character of azo dyes and a basis for their evaluation as potential nonlinear optical materials},
  issn      = {0040-4020},
  year      = {2010},
  abstract  = {The push-pull characters of a large series of donor-acceptor substituted azo dyes{\`u}71 structures in all{\`u}have been quantified by the NN double bond lengths, dNN, the 15N NMR chemical shift differences, ;;15N, of the two nitrogen atoms and the quotient, ;*/;, of the occupations of the antibonding ;*, and bonding ; orbitals of this partial NN double bond. The excellent correlation of the occupation quotients with the bond lengths strongly infers that both ;*/; and dNN are excellent parameters for quantifying charge alternation in the push-pull chromophore and the molecular hyperpolarizability, ;0, of these compounds. By this approach, selected compounds can be appropriately considered as viable candidates for nonlinear optical (NLO) applications.},
  language  = {en}
}
@article{KleinpeterKoch2010,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {Identification of benzenoid and quinonoid structures by through-space NMR shieldings (TSNMRS)},
  issn      = {1089-5639},
  year      = {2010},
  language  = {en}
}
@article{KramerKleinpeter2010,
  author    = {Kramer, Markus and Kleinpeter, Erich},
  title     = {STD-DOSY : a new NMR method to analyze multi-component enzyme/substrate systems},
  issn      = {1090-7807},
  doi       = {10.1016/j.jmr.2009.11.007},
  year      = {2010},
  abstract  = {A new approach to analyze multi-component Saturation Transfer Difference (STD) NMR spectra by combining the STD and the DOSY experiment is proposed. The resulting pulse sequence was successfully used to simplify an exemplary multi- component protein/substrate system by means of standard DOSY processing methods. Furthermore, the same experiment could be applied to calculate the ratio of saturated substrate molecules and its saturation rate in the case of competitive interactions. This ratio depends on the strength of this interaction between the substrates and the protein, so that this kind of information could be extracted from the results of our experiment.},
  language  = {en}
}
@article{KleinpeterKoch2010,
  author    = {Kleinpeter, Erich and Koch, Andreas},
  title     = {Probing the exohedral magnetic properties of C20 derivatives by through space NMR shieldings (TSNMRS)},
  issn      = {0166-1280},
  doi       = {10.1016/j.theochem.2009.09.018},
  year      = {2010},
  abstract  = {The through space NMR shieldings (TSNMRS) of dodecahedrane C20H20, of the isomeric hydrocarbons C20H12, of the ions C20H122+ and C20H122- of the fluxional fullerene C20 and of its dication C202+ have been ab initio calculated employing the NICS concept on basis of MP2/6-31G* geometries and visualized as iso-chemical-shielding/deshielding surfaces (ICSSs). TSNMRS values were employed to study the exohedral magnetic properties of the compounds studied. Hereby, the curved It-conjugation in the compounds studied could be quantified.},
  language  = {en}
}
@article{KihampaNkunyaJosephetal.2010,
  author    = {Kihampa, Charles and Nkunya, Mayunga H. H. and Joseph, Cosam C. and Magesa, Stephen M. and Hassanali, Ahmed and Heydenreich, Matthias and Kleinpeter, Erich},
  title     = {Antimosquito and antimicrobial clerodanoids and a chlorobenzoid from Tessmannia species},
  issn      = {1934-578X},
  year      = {2010},
  abstract  = {The clerodane diterpenoids trans-kolavenolic acid, 18-oxocleroda-3,13(E)-dien-15-oic acid, ent-(18- hydroxycarbonyl)-cleroda- 3,13(E)-dien-15-oate, 2-oxo-ent-cleroda-3,13(Z)-dien-15-oic acid and trans-2-oxo-ent-cleroda- 13(Z)-en-15-oic acid, and the chlorobenzenoid O-(3-hydroxy-4-hydroxycarbonyl-5-pentylphenyl)-3-chloro-4-methoxy-6-pentyl- 2-oxybenzoic acid were isolated from Tessmannia martiniana var pauloi and T. martiniana var matiniana. Structures were established based on interpretation of spectroscopic data. Some of the compounds exhibited significant antimosquito, antifungal and antibacterial activities.},
  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{SchwarzeDoscheFlehretal.2010,
  author    = {Schwarze, Thomas and Dosche, Carsten and Flehr, Roman and Klamroth, Tillmann and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Saalfrank, Peter and Cleve, Ernst and Buschmann, Hans-J{\"u}rgen and Holdt, Hans-J{\"u}rgen},
  title     = {Combination of a CT modulated PET and an intramolecular excimer formation to quantify PdCl2 by large fluorescence enhancement},
  issn      = {1359-7345},
  year      = {2010},
  language  = {en}
}
@article{SchwarzeMicklerDoscheetal.2010,
  author    = {Schwarze, Thomas and Mickler, Wulfhard and Dosche, Carsten and Flehr, Roman and Klamroth, Tillmann and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Saalfrank, Peter and Holdt, Hans-J{\"u}rgen},
  title     = {Systematic investigation of photoinduced electron transfer controlled by internal charge transfer and its consequences for selective PdCl2 coordination},
  issn      = {0947-6539},
  year      = {2010},
  abstract  = {Fluoroionophores of fluorophore-spacer-receptor format were prepared for detection of PdCl2 by fluorescence enhancement. The fluorescent probes 1-13 consist of a fluorophore group, an alkyl spacer and a dithiomaleonitrile PdCl2 receptor. First, varying the length of the alkylene spacer (compounds 1-3) revealed a dominant through-space pathway for oxidative photoinduced electron transfer (PET) in CH2-bridged dithiomaleonitrile fluoroionophores. Second, fluorescent probes 4-9 containing two anthracene or pyrene fragments connected through CH2 bridges to the dithiomaleonitrile unit were synthesized. Modulation of the oxidation potential (EOx) through electron-withdrawing or -donating groups on the anthracene moiety regulates the thermodynamic driving force for oxidative PET (GPET) in bis(anthrylmethylthio)maleonitriles and therefore the fluorescence quantum yields (f), too. The new concept was confirmed and transferred to pyrenyl ligands, and fluorescence enhancements (FE) greater than 3.2 in the presence of PdCl2 were achieved by 7 and 8 (FE=5.4 and 5.2). Finally, for comparison, monofluorophore ligands 10-13 were synthesized.},
  language  = {en}
}
@article{SiegmannJelicic2010,
  author    = {Siegmann, Rebekka and Jelicic, Aleksandra},
  title     = {Propagation and termination kinetics of PEGylated methacrylate radical polymerizations},
  issn      = {1022-1352},
  doi       = {10.1002/macp.200900527},
  year      = {2010},
  abstract  = {Propagation and chain-length averaged termination rate coefficients, k(p) and <k(t)>, for radical polymerizations of methacrylates carrying poly(ethylene glycol) (PEG) units are reported. kp derived from pulsed laser initiated polymerizations in bulk, in organic solvents, and in ionic liquids follows the methacrylate-type family behavior. Contrary, diffusion controlled k(t) values obtained from chemically initiated polymerizations with in-line FT- NIR monitoring of monomer conversion are strongly affected by the PEG units in the ester group. Compared to alkyl methacrylates <k(t)> is unexpectedly high. Moreover, <k(t)> of poly(ethylene glycol) ethyl ether methacrylate shows a significant reduction in k(t) already at 15\% conversion, whereas dodecyl methacrylate <k(t)> is constant up to at least 70\% conversion.},
  language  = {en}
}
@article{ShainyanMoskalikStarkeetal.2010,
  author    = {Shainyan, Bagrat A. and Moskalik, Mikail Yu and Starke, Ines and Schilde, Uwe},
  title     = {Formation of unexpected products in the attempted aziridination of styrene with trifluoromethanesulfonyl nitrene},
  issn      = {0040-4020},
  doi       = {10.1016/j.tet.2010.08.070},
  year      = {2010},
  abstract  = {The reaction of styrene with trifluoromethanesulfonyl nitrene generated from trifluoromethanesulfonamide in the system (t-BuOCl+NaI) results in the formation of trifluoro-N-[2-phenyl-2-(trifluoromethylsulfonyl) aminoethyl]methanesulfonamide, 1-pheny1-2-iodo-ethanol, and 2,5-diphenyl-1,4-bis(trifluoromethyl sulfonyl)piperazine rather than the expected product of aziridination, 2-phenyl-1-(trifluoromethylsulfonyl) aziridine. The mechanism of the reaction is discussed.},
  language  = {en}
}
@article{SchweizerSchusterJungingeretal.2010,
  author    = {Schweizer, S. and Schuster, T. and Junginger, Matthias and Siekmeyer, Gerd and Taubert, Andreas},
  title     = {Surface modification of ickel/Titanium Alloy and Titanium Surfaces via a Polyelectrolyte Multilayer/Calcium Phosphate Hybrid Coating},
  issn      = {1438-7492},
  doi       = {10.1002/mame.200900347},
  year      = {2010},
  abstract  = {The report shows that simple LbL deposition of positively charged chitosan and negatively charged heparin can be used to efficiently modify the native surface of both NiTi and Ti without any previous treatments. Moreover, mineralization of the polymer multilayers with calcium phosphate leads to surfaces with low contact angles around 70 and 20 degrees for NiTi and Ti, respectively. This suggests that a polymer multilayer/calcium phosphate hybrid coating could be useful for making NiTi or Ti implants that are at the same time antibacterial (via the chitosan), suppress blood clot formation (via the heparin), and favor fast endothelialization (via the improved surface hydrophilicity compared to the respective neat material).},
  language  = {en}
}
@article{SchwarzSieversBodenthinetal.2010,
  author    = {Schwarz, Guntram and Sievers, Torsten K. and Bodenthin, Yves and Hasslauer, Ires and Geue, Thomas and Koetz, Joachim and Kurth, Dirk G.},
  title     = {The structure of metallo-supramolecular polyelectrolytes in solution and on surfaces},
  issn      = {0959-9428},
  doi       = {10.1039/B926783b},
  year      = {2010},
  abstract  = {Metal ion induced self-assembly of the rigid ligand 1,4-bis(2,2':6',2 ''-terpyridine- 4'-yl) benzene (1) with Fe(II), Co(II), Ni(II) and Zn(II) acetate in aqueous solution results in extended, rigid- rod like metallosupramolecular coordination polyelectrolytes (MEPE-1). Under the current experimental conditions the molar masses range from 1000 g mol(-1) up to 500 000 g mol(-1). The molar mass depends on concentration, stoichiometry, metal-ion and time. In addition, we present viscosity measurements, small angle neutron scattering and AFM data. We introduce a protocol to precisely control the stoichiometry during self-assembly using conductometry. The protocol can be used with different terpyridine ligands and the above-mentioned metal ions and is of paramount importance to obtain meaningful and reproducible results. As a control experiment we studied the mononuclear 4'- (phenyl)2,2':6',2 ''-terpyridine (3) complex with Ni(II) and Zn(II) and the flexible ligand 1,3- bis[4'-oxa(2,2': 6',2 ''-terpyridinyl)] propane (2) with Ni(II) acetate (Ni-MEPE-2). This ligand does not form extended macroassemblies but likely ring-like structures with 3 to 4 repeat units. Through spin- coating of Ni-MEPE-1 on a solid surface we can image the MEPEs in real space by AFM. SANS measurements of Fe-MEPE-1 verify the extended rigid-rod type structure of the MEPEs in aqueous solution.},
  language  = {en}
}
@article{SchwarzBodenthinGeueetal.2010,
  author    = {Schwarz, Guntram and Bodenthin, Yves and Geue, Thomas and Koetz, Joachim and Kurth, Dirk G.},
  title     = {Structure and properties of dynamic rigid rod-like metallo-supramolecular polyelectrolytes in solution},
  issn      = {0024-9297},
  doi       = {10.1021/Ma902057f},
  year      = {2010},
  abstract  = {Metal-ion-induced self-assembly in aqueous solution of the rigid ligand 1,4-bis(2,2':6',2 ''-terpyridine-4'-yl)benzene (1) with Fe(OAc)(2) and Ni(OAc)(2) is investigated with viscosimetry, SANS, and AFM. Ligand 1 forms extended, rigid-rod like metallo-supramolecular coordination polyeectrolytes (MEPEs) with a molar mass of up to 200 000 g mol(-1) under the Current experimental conditions. The molar mass depends oil concentration, stoichiometry, and time. By spin-coating MEPEs oil a solid surface, we call image the MEPEs in real space by AFM. Both AFM and SANS confirm the extended rigid-rod-type structure of the MEPEs. As a control experiment, we also studied the flexible ligand 1,3-bis[4'-oxa(2,2':6',2 ''-terpyridinyl)]propane (2). Ligand 2 does not form extended macro-assemblies but likely ringlike structures with three 10 four repeat units. Finally, we present it protocol to control the stoichiometry during self-assembly using conductometry, which is of paramount importance to obtain meaningful and reproducible results.},
  language  = {en}
}
@article{TremblayMonturetSaalfrank2010,
  author    = {Tremblay, Jean Christophe and Monturet, Serge and Saalfrank, Peter},
  title     = {Electronic damping of anharmonic adsorbate vibrations at metallic surfaces},
  issn      = {1098-0121},
  doi       = {10.1103/Physrevb.81.125408},
  year      = {2010},
  abstract  = {The nonadiabatic coupling of an adsorbate close to a metallic surface leads to electronic damping of adsorbate vibrations and line broadening in vibrational spectroscopy. Here, a perturbative treatment of the electronic contribution to the lifetime broadening serves as a building block for a new approach, in which anharmonic vibrational transition rates are calculated from a position-dependent coupling function. Different models for the coupling function will be tested, all related to embedding theory. The first two are models based on a scattering approach with (i) a jellium-type and (ii) a density functional theory based embedding density, respectively. In a third variant a further refined model is used for the embedding density, and a semiempirical approach is taken in which a scaling factor is chosen to match harmonic, single-site, first-principles transition rates, obtained from periodic density functional theory. For the example of hydrogen atoms on (adsorption) and below (subsurface absorption) a Pd(111) surface, lifetimes of and transition rates between vibrational levels are computed. The transition rates emerging from different models serve as input for the selective subsurface adsorption of hydrogen in palladium starting from an adsorption site, by using sequences of infrared laser pulses in a laser distillation scheme.},
  language  = {en}
}
@article{XieJelicicWangetal.2010,
  author    = {Xie, Zai-Lai and Jelicic, Aleksandra and Wang, Feipeng and Rabu, Pierre and Friedrich, Alwin and Beuermann, Sabine and Taubert, Andreas},
  title     = {Transparent, flexible, and paramagnetic ionogels based on PMMA and the iron-based ionic liquid 1-butyl-3- methylimidazolium tetrachloroferrate(III) [Bmim][FeCl4]},
  issn      = {0959-9428},
  doi       = {10.1039/C0jm01733g},
  year      = {2010},
  abstract  = {The iron-containing ionic liquid (IL) 1-butyl-3-methylimidazolium tetrachloroferrate(III) [Bmim][FeCl4] has been used as a building block in the synthesis of transparent, ion-conducting, and paramagnetic ionogels. UV/Vis spectroscopy shows that the coordination around the Fe(III) ion does slightly change upon incorporation of the IL into PMMA. The thermal stability of the PMMA increases significantly with IL incorporation. In particular, the onset weight loss observed at ca. 265 degrees C for pure PMMA is completely suppressed. The ionic conductivity shows a strong temperature dependence and increases with increasing IL weight fractions. The magnetic properties are similar to those reported for the pure IL and are not affected by the incorporation into the PMMA matrix. The resulting ionogel is thus an interesting prototype for soft, flexible, and transparent materials combining the mechanical properties of the matrix with the functionality of the metal-containing IL, such as magnetism.},
  language  = {en}
}
@article{SchwarzeDoscheFlehretal.2010,
  author    = {Schwarze, Thomas and Dosche, Carsten and Flehr, Roman and Klamroth, Tillmann and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Saalfrank, Peter and Cleve, Ernst and Buschmann, Hans-J{\"u}rgen and Holdt, Hans-J{\"u}rgen},
  title     = {Combination of a CT modulated PET and an intramolecular excimer formation to quantify PdCl2 by large fluorescence enhancement},
  issn      = {1359-7345},
  doi       = {10.1039/B919973j},
  year      = {2010},
  abstract  = {The [6.6](9,10)anthracenophane 1 (Scheme 1) is a selective fluoroionophore for the detection of PdCl2 with a large fluorescence enhancement factor (I/I-0 > 250).},
  language  = {en}
}