@article{KruegerKellingSchildeetal.2016,
  author    = {Kr{\"u}ger, Tobias and Kelling, Alexandra and Schilde, Uwe and Linker, Torsten},
  title     = {Simple Synthesis of gamma-Spirolactams by Birch Reduction of Benzoic Acids},
  series = {European journal of organic chemistry},
  journal   = {European journal of organic chemistry},
  number    = {6},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1434-193X},
  doi       = {10.1002/ejoc.201601650},
  pages     = {1074 -- 1077},
  year      = {2016},
  abstract  = {A convenient synthesis of gamma-spirolactams in only two steps was developed. Birch reduction of benzoic acids and immediate alkylation with chloroacetonitrile afforded cyclohexadienes in high yields. The products could be isolated by crystallization on a large scale in analytically pure form. Subsequent hydrogenation with platinum(IV) oxide as the catalyst reduced the nitrile functionality and the double bonds in the same step with excellent stereoselectivity. The relative configurations were determined unequivocally by X-ray analyses. Direct cyclization of the intermediary formed amino acids afforded the desired gamma-spirolactams in excellent overall yields. The procedure is characterized by few steps, cheap reagents, and can be performed on a large scale, interesting for industrial processes.},
  language  = {en}
}
@article{SchmidtLorenz2016,
  author    = {Schmidt, Burkhard and Lorenz, Ulf},
  title     = {WavePacket},
  series = {Computer physics communications : an international journal devoted to computational physics and computer programs in physics},
  volume    = {213},
  journal   = {Computer physics communications : an international journal devoted to computational physics and computer programs in physics},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0010-4655},
  doi       = {10.1016/j.cpc.2016.12.007},
  pages     = {223 -- 234},
  year      = {2016},
  abstract  = {WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schr{\"o}dinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. The graphical capabilities allow visualization of quantum dynamics 'on the fly', including Wigner phase space representations. Being easy to use and highly versatile, WavePacket is well suited for the teaching of quantum mechanics as well as for research projects in atomic, molecular and optical physics or in physical or theoretical chemistry. The present Part I deals with the description of closed quantum systems in terms of Schr{\"o}dinger equations. The emphasis is on discrete variable representations for spatial discretization as well as various techniques for temporal discretization. The upcoming Part II will focus on open quantum systems and dimension reduction; it also describes the codes for optimal control of quantum dynamics. The present work introduces the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge platform, where extensive Wiki-documentation as well as worked-out demonstration examples can be found.},
  language  = {en}
}
@article{StrauchKossmannKellingetal.2016,
  author    = {Strauch, Peter and Kossmann, Alexander and Kelling, Alexandra and Schilde, Uwe},
  title     = {EPR on bis(1,2-dithiosquarato)cuprate(II) in the bis(1,2-dithiosquarato)nickelate(II) host lattice - structure and spectroscopy},
  series = {Chemical papers},
  volume    = {70},
  journal   = {Chemical papers},
  publisher = {De Gruyter},
  address   = {Berlin},
  issn      = {0366-6352},
  doi       = {10.1515/chempap-2015-0154},
  pages     = {61 -- 68},
  year      = {2016},
  abstract  = {EPR spectroscopy is a well suited analytical tool to monitor the electronic situation around paramagnetic metal centres as copper(II) and therefore the structural influences on the paramagnetic ion. 1,2-Dithiosquaratometalates are available by direct synthesis from metal salts with dipotassium-1,2-dithiosquarate and the appropriate counter cations. Synthesis and characterisation of bis(benzyltributylammonium)1,2-dithiosquaratonickelate(II), (BzlBu(3)N)(2)[Ni(dtsq)(2)], and bis(benzyltributylammonium)1,2-dithiosquaratocuprate(II), (BzlBu(3)N)(2)[Cu(dtsq)(2)], with benzyltributylammonium as the counter ion is reported and the X-ray structures of two complexes, (BzlBu(3)N)(2)[Ni(dtsq)(2)] and (BzlBu(3)N)(2)[Cu(dtsq)(2)], are presented. Both complexes, crystallising in the monoclinic space group P2(1)/c, are isostructural with only small differences in the coordination sphere due to the different metal ions. The diamagnetic nickel complex is therefore well suited as a host lattice for the paramagnetic Cu(II) complex to measure EPR for additional structural information. (c) 2015 Institute of Chemistry, Slovak Academy of Sciences},
  language  = {en}
}
@article{SchmidtRiemer2016,
  author    = {Schmidt, Bernd and Riemer, Martin},
  title     = {Synthesis of Allyl- and Prenylcoumarins via Microwave-Promoted Tandem Claisen Rearrangement/Wittig Olefination},
  series = {Synthesis},
  volume    = {48},
  journal   = {Synthesis},
  publisher = {Thieme},
  address   = {Stuttgart},
  issn      = {0039-7881},
  doi       = {10.1055/s-0035-1560501},
  pages     = {141 -- 149},
  year      = {2016},
  abstract  = {Allyl, dimethylallyl, crotyl, and prenyl ethers of various aromatic ortho-hydroxy carbonyl compounds undergo a tandem sequence of Claisen rearrangement, carbonyl olefination, and cyclization upon microwave irradiation in the presence of a stabilized ylide. The products are multiply substituted 6- or 8-allylated or prenylated coumarins (2H-chromen-2-ones).},
  language  = {en}
}
@article{BrauneGrossWalteretal.2016,
  author    = {Braune, Steffen and Gross, M. and Walter, M. and Zhou, Shengqiang and Dietze, Siegfried and Rutschow, S. and Lendlein, Andreas and Tschoepe, C. and Jung, Friedrich},
  title     = {Adhesion and activation of platelets from subjects with coronary artery disease and apparently healthy individuals on biomaterials},
  series = {Journal of biomedical materials research : an official journal of the Society for Biomaterials, the Japanese Society for Biomaterials; the Australian Society for Biomaterials},
  volume    = {104},
  journal   = {Journal of biomedical materials research : an official journal of the Society for Biomaterials, the Japanese Society for Biomaterials; the Australian Society for Biomaterials},
  publisher = {Wiley-Blackwell},
  address   = {Hoboken},
  issn      = {1552-4973},
  doi       = {10.1002/jbm.b.33366},
  pages     = {210 -- 217},
  year      = {2016},
  abstract  = {On the basis of the clinical studies in patients with coronary artery disease (CAD) presenting an increased percentage of activated platelets, we hypothesized that hemocompatibility testing utilizing platelets from healthy individuals may result in an underestimation of the materials' thrombogenicity. Therefore, we investigated the interaction of polymer-based biomaterials with platelets from CAD patients in comparison to platelets from apparently healthy individuals. In vitro static thrombogenicity tests revealed that adherent platelet densities and total platelet covered areas were significantly increased for the low (polydimethylsiloxane, PDMS) and medium (Collagen) thrombogenic surfaces in the CAD group compared to the healthy subjects group. The area per single platelet—indicating the spreading and activation of the platelets—was markedly increased on PDMS treated with PRP from CAD subjects. This could not be observed for collagen or polytetrafluoroethylene (PTFE). For the latter material, platelet adhesion and surface coverage did not differ between the two groups. Irrespective of the substrate, the variability of these parameters was increased for CAD patients compared to healthy subjects. This indicates a higher reactivity of platelets from CAD patients compared to the healthy individuals. Our results revealed, for the first time, that utilizing platelets from apparently healthy donors bears the risk of underestimating the thrombogenicity of polymer-based biomaterials.},
  language  = {en}
}
@article{PrestelMoeller2016,
  author    = {Prestel, Andreas and M{\"o}ller, Heiko Michael},
  title     = {Spatio-temporal control of cellular uptake achieved by photoswitchable cell-penetrating peptides},
  series = {Chemical communications},
  volume    = {52},
  journal   = {Chemical communications},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1359-7345},
  doi       = {10.1039/c5cc06848g},
  pages     = {701 -- 704},
  year      = {2016},
  abstract  = {The selective uptake of compounds into specific cells of interest is a major objective in cell biology and drug delivery. By incorporation of a novel, thermostable azobenzene moiety we generated peptides that can be switched optically between an inactive state and an active, cell-penetrating state with excellent spatio-temporal control.},
  language  = {en}
}
@article{BrietzkeKellingSchildeetal.2016,
  author    = {Brietzke, Thomas Martin and Kelling, Alexandra and Schilde, Uwe and Mickler, Wulfhard and Holdt, Hans-J{\"u}rgen},
  title     = {Heterodinuclear Ruthenium(II) Complexes of the Bridging Ligand 1,6,7,12-Tetraazaperylene with Iron(II), Cobalt(II), Nickel(II), as well as Palladium(II) and Platinum(II)},
  series = {Zeitschrift f{\~A}¼r anorganische und allgemeine Chemie},
  volume    = {642},
  journal   = {Zeitschrift f{\~A}¼r anorganische und allgemeine Chemie},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0044-2313},
  doi       = {10.1002/zaac.201500645},
  pages     = {8 -- 13},
  year      = {2016},
  abstract  = {The first heterodinuclear ruthenium(II) complexes of the 1,6,7,12-tetraazaperylene (tape) bridging ligand with iron(II), cobalt(II), and nickel(II) were synthesized and characterized. The metal coordination sphere in this complexes is filled by the tetradentate N,N-dimethyl-2,11-diaza[3.3](2,6)-pyridinophane (L-N4Me2) ligand, yielding complexes of the general formula [(L-N4Me2)Ru(mu-tape)M(L-N4Me2)](ClO4)(2)(PF6)(2) with M = Fe {[2](ClO4)(2)(PF6)(2)}, Co {[3](ClO4)(2)(PF6)(2)}, and Ni {[4](ClO4)(2)(PF6)(2)}. Furthermore, the heterodinuclear tape ruthenium(II) complexes with palladium(II)- and platinum(II)-dichloride [(bpy)(2)Ru(-tape)PdCl2](PF6)(2) {[5](PF6)(2)} and [(dmbpy)(2)Ru(-tape)PtCl2](PF6)(2) {[6](PF6)(2)}, respectively were also prepared. The molecular structures of the complex cations [2](4+) and [4](4+) were discussed on the basis of the X-ray structures of [2](ClO4)(4)MeCN and [4](ClO4)(4)MeCN. The electrochemical behavior and the UV/Vis absorption spectra of the heterodinuclear tape ruthenium(II) complexes were explored and compared with the data of the analogous mono- and homodinuclear ruthenium(II) complexes of the tape bridging ligand.},
  language  = {en}
}
@article{HildebrandLaschewskyWischerhoff2016,
  author    = {Hildebrand, Viet and Laschewsky, Andre and Wischerhoff, Erik},
  title     = {Modulating the solubility of zwitterionic poly((3methacrylamidopropyl)ammonioalkane sulfonate)s in water and aqueous salt solutions via the spacer group separating the cationic and the anionic moieties},
  series = {Polymer Chemistry},
  volume    = {7},
  journal   = {Polymer Chemistry},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1759-9954},
  doi       = {10.1039/c5py01642h},
  pages     = {731 -- 740},
  year      = {2016},
  abstract  = {Complementary to the well-established zwitterionic monomer 3-((3-methacrylamidopropyl) dimethylammonio) propane-1-sulfonate (SPP), the closely related monomers 2-hydroxy-3-((3-methacrylamidopropyl) dimethylammonio) propane-1-sulfonate (SHPP) and 4-((3-methacrylamidopropyl) dimethylammonio)butane- 1-sulfonate (SBP) were synthesised and polymerised by reversible addition-fragmentation chain transfer (RAFT) polymerisation, using a fluorophore labeled RAFT agent. The polyzwitterions of systematically varied molar masses were characterised with respect to their solubility in water and aqueous salt solutions. Both poly(sulfobetaine)s show thermoresponsive behaviour in water, exhibiting phase separation at low temperatures and upper critical solution temperatures (UCST). For both polySHPP and polySBP, cloud points depend notably on the molar mass, and are much higher in D2O than in H2O. Also, the cloud points are effectively modulated by the addition of salts. The individual effects can be in parts correlated to the Hofmeister series for the anions studied. Still, they depend in a complex way on the concentration and the nature of the added electrolytes, on the one hand, and on the detailed nature of the spacer group separating the anionic and the cationic charges of the betaine moiety, on the other hand. As anticipated, the cloud points of polySBP are much higher than the ones of the analogous polySPP of identical molar mass. Surprisingly, the cloud points of polySHPP are also somewhat higher than the ones of their polySPP analogues, despite the additional hydrophilic hydroxyl group present in the spacer separating the ammonium and the sulfonate moieties. These findings point to a complicated interplay of the various hydrophilic components in polyzwitterions with respect to their overall hydrophilicity. Thus, the spacer group in the betaine moiety proves to be an effective additional molecular design parameter, apparently small variations of which strongly influence the phase behaviour of the polyzwitterions in specific aqueous environments.},
  language  = {en}
}
@article{ThielkeSeckerSchlaadetal.2016,
  author    = {Thielke, Michael W. and Secker, Christian and Schlaad, Helmut and Theato, Patrick},
  title     = {Electrospinning of Crystallizable Polypeptoid Fibers},
  series = {Macromolecular rapid communications},
  volume    = {37},
  journal   = {Macromolecular rapid communications},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1022-1336},
  doi       = {10.1002/marc.201500502},
  pages     = {100 -- 104},
  year      = {2016},
  abstract  = {A unique fabrication process of low molar mass, crystalline polypeptoid fibers is described. Thermoresponsive fiber mats are prepared by electrospinning a homogeneous blend of semicrystalline poly(N-(n-propyl) glycine) (PPGly; 4.1 kDa) with high molar mass poly(ethylene oxide) (PEO). Annealing of these fibers at approximate to 100 degrees C selectively removes the PEO and produces stable crystalline fiber mats of pure PPGly, which are insoluble in aqueous solution but can be redissolved in methanol or ethanol. The formation of water-stable polypeptoid fiber mats is an important step toward their utilization in biomedical applications such as tissue engineering or wound dressing.},
  language  = {en}
}
@article{OmorogieBabalolaUnuabonahetal.2016,
  author    = {Omorogie, Martins O. and Babalola, Jonathan Oyebamiji and Unuabonah, Emmanuel I. and Gong, Jian R.},
  title     = {Clean technology approach for the competitive binding of toxic metal ions onto MnO2 nano-bioextractant},
  series = {Clean technologies and environmental policy},
  volume    = {18},
  journal   = {Clean technologies and environmental policy},
  publisher = {Springer},
  address   = {New York},
  issn      = {1618-954X},
  doi       = {10.1007/s10098-015-1004-z},
  pages     = {171 -- 184},
  year      = {2016},
  abstract  = {The competitive extraction of Cr(III) onto Nauclea diderrichii seed epicarp doped with MnO2 nanoparticles (MnO2 nano-bioextractant (MNB)) in a single and binary batch system was studied. For validity of experimental data, chi square test, root mean square error, sum of the square errors, hybrid fractional error function, Marquart's percent standard deviation and standard absolute error were used. Among the kinetic models used, pseudo-second-order and Langmuir equations gave the best fits for the experimental data, with qe (mg g) for the uptake of Cr(III) in single metal system onto MNB, then Cr(III) with Cd(II), Pb(II), Hg(II), KCl and CaCl2 in binary metal systems onto MNB were 2.611, then 1.989, 1.016, 2.208, 1.249 and 1.868 from kinetic standpoint, respectively. The initial sorption rates, h (mg/g/min), and half lives, t1/2 (min), for the uptake of Cr(III) in single metal system onto MNB, then Cr(III) with Cd(II), Pb(II), Hg(II), KCl and CaCl2 in binary metal system onto MNB were 3.497, then 2.311, 2.274, 0.242, 2.956, 45.568 and 0.747, then 5.769, 1.766, 12.144, 1.762, and 2.415, respectively. Physicochemical surface analyses such as pH of point of zero charge, Brunauer-Emmett-Teller single point and multi-point techniques for surface area analyses, scanning electron microscopy and transmission electron microscopy were done on MNB and MnO2 nanoparticles in order to understand their surface microstructures. Desorption study showed that MNB can be recycled and used for future study. Hence, MNB showed good potential to remediate Cr(III) from wastewaters and polluted water.},
  language  = {en}
}