TY - GEN A1 - Bald, Ilko A1 - Keller, Adrian T1 - Molecular processes studied at a single-molecule level using DNA origami nanostructures and atomic force microscopy T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - DNA origami nanostructures allow for the arrangement of different functionalities such as proteins, specific DNA structures, nanoparticles, and various chemical modifications with unprecedented precision. The arranged functional entities can be visualized by atomic force microscopy (AFM) which enables the study of molecular processes at a single-molecular level. Examples comprise the investigation of chemical reactions, electron-induced bond breaking, enzymatic binding and cleavage events, and conformational transitions in DNA. In this paper, we provide an overview of the advances achieved in the field of single-molecule investigations by applying atomic force microscopy to functionalized DNA origami substrates. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1146 KW - DNA origami KW - atomic force microscopy KW - single-molecule analysis KW - DNA radiation damage KW - protein binding KW - enzyme reactions KW - G quadruplexes Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-475843 SN - 1866-8372 IS - 9 SP - 13803 EP - 13823 ER - TY - GEN A1 - Vioux, André A1 - Taubert, Andreas T1 - Ionic liquids 2014 and selected papers from ILMAT 2013 BT - Highlighting the ever-growing potential of Ionic Liquids T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1055 KW - electrolytes KW - extraction KW - system Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-475062 SN - 1866-8372 IS - 1055 ER - TY - GEN A1 - Laschewsky, André T1 - Structures and synthesis of zwitterionic polymers T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - The structures and synthesis of polyzwitterions ("polybetaines") are reviewed, emphasizing the literature of the past decade. Particular attention is given to the general challenges faced, and to successful strategies to obtain polymers with a true balance of permanent cationic and anionic groups, thus resulting in an overall zero charge. Also, the progress due to applying new methodologies from general polymer synthesis, such as controlled polymerization methods or the use of "click" chemical reactions is presented. Furthermore, the emerging topic of responsive ("smart") polyzwitterions is addressed. The considerations and critical discussions are illustrated by typical examples. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1043 KW - review KW - polyzwitterion KW - polyampholyte KW - zwitterionic group KW - betaine KW - synthesis KW - monomer KW - polymerization KW - post-polymerization modification Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-476167 SN - 1866-8372 IS - 1043 ER - TY - JOUR A1 - Banerjee, Shiladitya A1 - Saalfrank, Peter T1 - Vibrationally resolved absorption, emission and resonance Raman spectra of diamondoids: a study based on time-dependent correlation functions JF - Physical chemistry, chemical physics : a journal of European Chemical Societies Y1 - 2014 U6 - https://doi.org/10.1039/c3cp53535e SN - 1463-9076 SN - 1463-9084 VL - 16 IS - 1 SP - 144 EP - 158 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Mondal, Suvendu Sekhar A1 - Bhunia, Asamanjoy A1 - Demeshko, Serhiy A1 - Kelling, Alexandra A1 - Schilde, Uwe A1 - Janiak, Christoph A1 - Holdt, Hans-Jürgen T1 - Synthesis of a Co(II)-imidazolate framework from an anionic linker precursor: gas-sorption and magnetic properties JF - CrystEngComm N2 - A Co(II)-imidazolate-4-amide-5-imidate based MOF, IFP-5, is synthesized by using an imidazolate anion-based novel ionic liquid as a linker precursor under solvothermal conditions. IFP-5 shows significant amounts of gas (N-2, CO2, CH4 and H-2) uptake capacities. IFP-5 exhibits an independent high spin Co(II) centre and antiferromagnetic coupling. Y1 - 2014 U6 - https://doi.org/10.1039/c3ce42040j SN - 1466-8033 VL - 16 IS - 1 SP - 39 EP - 42 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Kopyra, Janina A1 - Keller, A. A1 - Bald, Ilko T1 - On the role of fluoro-substituted nucleosides in DNA radiosensitization for tumor radiation therapy JF - RSC Advances Y1 - 2014 U6 - https://doi.org/10.1039/c3ra46735j SN - 2046-2069 VL - 4 IS - 13 SP - 6825 EP - 6829 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Schönborn, Jan Boyke A1 - Hartke, Bernd T1 - Photochemical dynamics of E-methylfurylfulgide-kinematic effects on photorelaxation dynamics of furylfulgides JF - Physical chemistry, chemical physics : a journal of European Chemical Societies N2 - With the present theoretical study of the photochemical switching of E-methylfurylfulgide we contribute an important step towards the understanding of the photochemical processes in furylfulgide-related molecules. We have carried out large-scale, full-dimensional direct semiempirical configuration-interaction surface-hopping dynamics of the photoinduced ring-closure reaction. Simulated static and dynamical UV/Vis-spectra show good agreement with experimental data of the same molecule. By a careful investigation of our dynamical data, we were able to identify marked differences to the dynamics of the previously studied E-isopropylfurylfulgide. With our simulations we can not only reproduce the experimentally observed quantum yield differences qualitatively but we can also pinpoint two reasons for them: kinematics and pre-orientation. With our analysis, we thus offer straightforward molecular explanations for the high sensitivity of the photodynamics towards seemingly minor changes in molecular constitution. Beyond the realm of furylfulgides, these insights provide additional guidance to the rational design of photochemically switchable molecules. Y1 - 2014 U6 - https://doi.org/10.1039/c3cp53495b SN - 1463-9076 SN - 1463-9084 VL - 16 IS - 6 SP - 2483 EP - 2490 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Ghobadi, Ehsan A1 - Heuchel, Matthias A1 - Kratz, Karl A1 - Lendlein, Andreas T1 - Atomistic simulation of the shape-memory effect in dry and water swollen Poly[(rac-lactide)-co-glycolide] and copolyester urethanes thereof JF - Macromolecular chemistry and physics N2 - An atomistic molecular dynamics simulation approach is applied to model the influence of urethane linker units as well as the addition of water molecules on the simulated shape-memory properties of poly[(rac-lactide)-co-glycolide] (PLGA) and PLGA-based copolyester urethanes comprising different urethane linkers. The shape-memory performance of these amorphous packing models is explored in a simulated heating-deformation-cooling-heating procedure. Depending on the type of incorporated urethane linker, the mechanical properties of the dry copolyester urethanes are found to be significantly improved compared with PLGA, which can be attributed to the number of intermolecular hydrogen bonds between the urethane units. Good shape-memory properties are observed for all the modeled systems. In the dry state, the shape fixation is found to be improved by implementation of urethane units. After swelling of the copolymer models with water, which results in a reduction of their glass transition temperatures, the relaxation kinetics during unloading and shape recovery are found to be substantially accelerated. KW - molecular dynamics simulations KW - polyesterurethane KW - shape-memory effect Y1 - 2014 U6 - https://doi.org/10.1002/macp.201300507 SN - 1022-1352 SN - 1521-3935 VL - 215 IS - 1 SP - 65 EP - 75 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Winter, Alette A1 - Thiel, Kerstin A1 - Zabel, Andre A1 - Klamroth, Tillmann A1 - Poeppl, Andreas A1 - Kelling, Alexandra A1 - Schilde, Uwe A1 - Taubert, Andreas A1 - Strauch, Peter T1 - Tetrahalidocuprates(II) - structure and EPR spectroscopy. Part 2: tetrachloridocuprates(II) JF - New journal of chemistry N2 - We present and discuss the results of crystallographic and electron paramagnetic resonance (EPR) spectroscopic analyses of five tetrachloridocuprate(II) complexes to supply a useful tool for the structural characterisation of the [CuCl4](2-) moiety in the liquid state, for example in ionic liquids, or in solution. Bis(benzyltriethylammonium)-, bis(trimethylphenylammonium)-, bis(ethyltriphenylphosphonium)-, bis(benzyltriphenylphosphonium)-, and bis(tetraphenylarsonium) tetrachloridocuprate(II) were synthesised and characterised by elemental, IR, EPR and X-ray analyses. The results of the crystallographic analyses show distorted tetrahedral coordination geometry of all [CuCl4](2-) anions in the five complexes and prove that all investigated complexes are stabilised by hydrogen bonds of different intensities. Despite the use of sterically demanding ammonium, phosphonium and arsonium cations to obtain the separation of the paramagnetic Cu(II) centres for EPR spectroscopy no hyperfine structure was observed in the EPR spectra but the principal values of the electron Zeeman tensor, g(parallel to) and g(perpendicular to), could be determined. With these EPR data and the crystallographic parameters we were able to carry out a correlation study to anticipate the structural situation of tetrachloridocuprates in different physical states. This correlation is in good agreement with DFT calculations. Y1 - 2014 U6 - https://doi.org/10.1039/c3nj01039b SN - 1144-0546 SN - 1369-9261 VL - 38 IS - 3 SP - 1019 EP - 1030 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Di Florio, Giuseppe A1 - Bruendermann, Erik A1 - Yadavalli, Nataraja Sekhar A1 - Santer, Svetlana A. A1 - Havenith, Martina T1 - Polarized 3D Raman and nanoscale near-field optical microscopy of optically inscribed surface relief gratings: chromophore orientation in azo-doped polymer films JF - Soft matter N2 - We have used polarized confocal Raman microspectroscopy and scanning near-field optical microscopy with a resolution of 60 nm to characterize photoinscribed grating structures of azobenzene doped polymer films on a glass support. Polarized Raman microscopy allowed determining the reorientation of the chromophores as a function of the grating phase and penetration depth of the inscribing laser in three dimensions. We found periodic patterns, which are not restricted to the surface alone, but appear also well below the surface in the bulk of the material. Near-field optical microscopy with nanoscale resolution revealed lateral two-dimensional optical contrast, which is not observable by atomic force and Raman microscopy. Y1 - 2014 U6 - https://doi.org/10.1039/c3sm51787j SN - 1744-683X SN - 1744-6848 VL - 10 IS - 10 SP - 1544 EP - 1554 PB - Royal Society of Chemistry CY - Cambridge ER -