Publications

Publications

2017

  • Effects of Silica Surfaces on the Structure and Dynamics of Room-Temperature Ionic Liquids: A Molecular Dynamics Simulation Study
    T. Pal, C. Beck, D. Lessnich, M. Vogel
    J. Phys. Chem. C 122 624 (2018)
  • A Combined Solid-State NMR, Dielectric Spectroscopy, andCalorimetric Study of Water in Lowly Hydrated MCM-41 Samples
    M. Brodrecht, H. Breitzke, G. Buntkowsky, E. Klotz, C. Lederle, B. Stühn, M. Vogel
    Z. Phys. Chem. (accepted) (DOI)
  • 2H NMR Studies on Water Dynamics in FunctionalizedMesoporous Silica
    M. Weigler, M. Brodrecht, H. Breitzke, F. Dietrich, M. Sattig, G. Buntkowsky, M. Vogel
    Z. Phys. Chem. (accepted) (DOI)
  • 2H NMR studies on the dynamics of pure and mixed hydrogen-bonded liquids in confinement
    D. Demuth, M. Sattig, E. Steinrücken, M. Vogel
    Z. Phys. Chem. (accepted) (DOI)
  • Molecular dynamics simulations of water, silica, and aqueous mixtures in bulk and confinement
    J. Geske, M. Harrach, L. Heckmann, R. Horstmann, F. Klameth, N. Müller, E. Pafong, T. Wohlfromm, B. Drossel, M. Vogel
    Z. Phys. Chem. (accepted)

2017

  • Triplet Solvation Dynamics of Hydrogen Bonding Liquids in Confinement
    P. Weigl, V. Talluto, T. Walther, T. Blochowicz
    Zeitschrift für Physikalische Chemie (acccepted) (DOI)
  • Ab-Initio Molecular Dynamics Simulations and Calculations ofSpectroscopic Parameters in Hydrogen-Bonding Liquids in Confinement
    D. Sebastiani
    Zeitschrift für Physikalische Chemie (acccepted) ((DOI))
  • Chemically Modified Silica Materials as Model Systems for the Characterization of Water-Surface Interactions
    M. Brodrecht, B. Kumari, H. Breitzke, T. Gutmann, G. Buntkowsky
    Zeitschrift für Physikalische Chemie (acccepted) (DOI)
  • Water/PEG Mixtures: Phase Behavior, Dynamics and Soft Confinement
    B. Kuttich, A. Matt, A. Weber, A.-K. Grefe, L. Vietze, B. Stühn
    Zeitschrift für Physikalische Chemie (acccepted) (DOI)
  • Molecular dynamics of supercooled ionic liquids studied by lightscattering and dielectric spectroscopy
    F. Pabst, J. Gabriel, P. Weigl, T. Blochowicz
    Chemical Physics 494 103 (2017) (DOI)
  • Dynamics of DiPGME–Water mixtures in mesoporous silica
    M. Sattig, K. Elamin, M. Reuhl, J. Swenson, M. Vogel
    Journal of Physical Chemistry C 121 6796 (2017) (DOI)
  • Structure and dynamics of a silica melt in neutral confinement
    J. Geske, B. Drossel, M. Vogel
    Journal of Chemical Physics 146 134502 (2017) (DOI)
  • Creating realistic silica nanopores for molecular dynamicssimulations
    J. Geske, M. Vogel
    Molecular Simulations 43 13 (2017) (DOI)
  • Polymer conformation changes in nanoscopic soft confinement
    B. Kuttich, I. Grillo, S. Schöttner, M. Gallei, B. Stühn
    Soft Matter 13 (2017) (DOI)
  • An All-Plastic Field-Effect Nanofluidic Diode Gated by aConducting Polymer Layer
    G. Pérez-Mitta, W. A. Marmisollé, C. Trautmann, M. E. Toimil-Molares, O. Azzaroni
    Advances Materials 1700972 (2017)
  • Noncovalent Approach toward the Construction of NanofluidicDiodes with pH-Reversible Rectifying Properties: Insights from Theory and Experiment
    G. Perez-Mitta, A. G. Albesa, F. M. Gilles, M. E. Toimil-Molares, C. Trautmann, O. Azzaroni
    Journal of Physical Chemistry C 121 9070–9076 (2017)
  • Debye Process and β-Relaxation in 1-Propanol Probed byDielectric Spectroscopy and Depolarized Dynamic LightScattering
    J. Gabriel, F. Pabst, T. Blochowicz
    Journal of Physical Chemistry B 121 8847 (2017)
  • Modulation of the Polymerization Kinetics of α/β-Tubulin byOsmolytes and Macromolecular Crowding
    H. Schummel, M. Gao, R. Winter
    ChemPhysChem 18 189-197 (2017)
  • Development of New Supramolecular Lyotropic Liquid Crystalsand Their Application as Alignment Media for Organic Compounds
    M. Leyendecker, N.-C. Meyer, C. M. Thiele
    Angewandte Chemie 56 1147 (2017)
  • Polyaspartates as Thermoresponsive Enantiodifferentiating Helically Chiral Alignment Media for Anisotropic NMR-Spectroscopy
    M. Schwab, D. Herold, C. M. Thiele
    Chemistry – A European Journal n/a (2017)
  • Synthesis of Poly-γ-S-2-methylbutyl-l-glutamate and Poly-γ-S-2-methylbutyl-d-glutamate and their Use as Enantiodiscriminating Alignment Media in NMR Spectroscopy
    S. Hansmann, V. Schmidts, C. M. Thiele
    Chemistry – A European Journal 39 9114 (2017) (DOI)
  • Glycerol in micellar confinement with tunable rigitiy
    M. Lannert, A. Müller, E. Gouirand, V. Talluto, M. Rosenstihl, T. Walther, B. Stühn, T. Blochowicz, M. Vogel
    Journal of Chemical Physics 145 234511 (2016) (DOI)
  • On the influence of the intermolecular potential on the wetting properties of water on silica surfaces
    E. Pafong, J. Geske, B. Drossel
    Journal of Chemical Physics 145 114901 (2016)
  • A molecular dynamics simulation study on ethylene glycol-water mixtures in mesoporus silica
    R. Schmitz, N. Müller, S. Ullmann, M. Vogel
    Journal of Chemical Physics 145 104703 (2016) (DOI)
  • Confined water as model of supercooled water
    S. Cerveny, F. Mallamace, J. Swenson, M. Vogel, L. Xu
    Chemical Reviews 116 7608 (2016) (DOI)
  • Fragile-to-strong transition in liquid silica
    J. Geske, B. Drossel, M. Vogel
    AIP Advances 6 035131 (2016) (DOI)
  • Structure and phase behavior of polymer loaded non-ionic and anionic microemulsions
    A. Weber, B. Stühn
    Journal of Chemical Physics 144 144903 (2016) (DOI)
  • Molecular mobility in cellulose and paper
    B. Kuttich, A. Grefe, H. Kroling, S. Schabel, B. Stühn
    RSC Adv. 6 32389 (2016) (DOI)
  • Changes in the bending modulus of AOT based microemulsions induced by the incorporation of polymers in the water core
    B. Kuttich, A. Grefe, B. Stühn
    Soft Matter 12 6400 (2016) (DOI)
  • Polymer loaded microemulsions: Changeover from finite size effects to interfacial interactions
    B. Kuttich, O. Ivanova, I. Grillo, B. Stühn
    Journal of Chemical Physics 145 164904 (2016) (DOI)

2015

  • Mixtures of Isobutyric Acid and Water Confined in Cylindrical Silica Nanopores Revisited: A Combined Solid-State NMR and Molecular Dynamics Simulation Study
    M. F. Harrach, B. Drossel, W. Winschel, T. Gutmann, G. Buntkowsky
    Journal of Physical Chemistry C 119 28961 (2015) (DOI)
  • Effects of solvent concentration and composition on protein dynamics: 13C MAS NMR studies of elastin in glycerol–water mixtures
    D. Demuth, N. Haase, D. Malzacher, M. Vogel
    Biochimica et Biophysica Acta (BBA) – Proteins and Proteomics 1854 995 (2015) (DOI)
  • Nano-laminating of SiO2 and TiO2: Atomic layer deposition as a tool to gain new insight into interfaces.
    N. Sobel, C. Hess
    MRS Proceedings, 1805 ISSN 1946-4274 (2015) (DOI)
  • Conformal SiO2coating of sub-100 nm diameter channels of polycarbonate etched ion-track channels by atomic layer deposition.
    N. Sobel, C. Hess, M. Lukas, A. Spende, B. Stühn, E.M. Toimil-Molares, C. Trautmann
    Beilstein Journal of Nanotechnology, 6 pp. 472-479. ISSN 2190-4286 (2015) (DOI)
  • TiO2, SiO2, and Al2O3coated nanopores and nanotubes produced by ALD in etched ion-track membranes for transport measurements.
    A. Spende, N. Sobel, L. Manuela, R. Zierold, J.C. Riedl, L. Gura, I. Schubert, J.M.M. Moreno, K. Nielsch, B. Stühn, C. Hess, C. Trautmann, M.E. Toimil-Molares
    Nanotechnology, 26 (33) p. 335301. ISSN 0957-4484 (2015) (DOI)
  • Nanoscale Structuring of Surfaces by Using Atomic Layer Deposition.
    N. Sobel, C. Hess
    Angewandte Chemie, 127: 15226–15233 (2015) (DOI)
  • Dynamics of Interfacial Water
    M. Rosenstihl, K. Kämpf, F. Klameth, M. Sattig, M. Vogel
    J. Non-Cryst. Solids 407, 449-458 (2015)
  • Effect of the hydroaffinity and topology of pore walls on the structure and dynamics of confined water
    M. F. Harrach, F. Klameth, B. Drossel, M. Vogel
    J. Chem. Phys. 142, 034703 (2015)
  • A molecular dynamics simulations study on the relations between dynamical heterogeneity, structural relaxation, and self diffusion in viscous liquids.
    P . Henritzi, A. Bormuth, F. Klameth, M. Vogel
    J. Chem. Phys. 143, 164502 (2015)
  • Slow Water Dynamics near a Glass Transition or a Solid Interface: A Common Rationale.
    F. Klameth, M. Vogel
    J. Chem. Phys. Lett. 6, 4385-4389 (2015)

2014

  • Dynamics of water-alcohol mixtures: Insights from nuclear magnetic resonance, broadband dielectric spectroscopy, and triplet solvation dynamics
    D. Sauer, B. Schuster, M. Rosenstihl, S. Schneider, V. Talluto, T. Walther, T. Blochowicz, B. Stühn, M. Vogel
    The Journal of Chemical Physics 140 114503 (2014) (DOI)
  • Tailored nanochannels of nearly cylindrical geometry analysed by small angle X-ray scattering
    B. Kuttich, M. Engel, C. Trautmann, B. Stühn
    Applied Physics A  114  387-392 (2014) (DOI)
  • Water and small organic molecules as probes for geometric confinement in well-ordered mesoporous carbon materials
    Y. Xu, T. Watermann, H.-H. Limbach, T. Gutmann, D. Sebastiani, G. Buntkowsky
    Phys. Chem. Chem. Phys.  16  9327-9336  (2014) (DOI)
  • Dynamical and structural properties of monohydroxy alcohols exhibiting a Debye process
    P. Wieth, M. Vogel
    The Journal of Chemical Physics  140  144507  (2014) (DOI)
  • Structure and dynamics of TIP3P, TIP4P, and TIP5P water near smooth and atomistic walls of different hydroaffinity
    M. F. Harrach, B. Drossel
    The Journal of Chemical Physics  140  174501  (2014) (DOI)
  • Crowding effects on the temperature and pressure dependent structure, stability and folding kinetics of Staphylococcal Nuclease
    M. Erlkamp and S. Grobelny, R. Winter
    Phys. Chem. Chem. Phys.  16  5965-5976  (2014) (DOI)
  • Dynamic Crossovers and Stepwise Solidification of Confined Water: A 2H NMR Study
    M. Sattig, M. Vogel
    The Journal of Physical Chemistry Letters  5  174-178  (2014) (DOI)
  • Static and dynamic length scales in supercooled liquids: Insights from molecular dynamics simulations of water and tri-propylene oxide
    F. Klameth and P. Henritzi, M. Vogel
    The Journal of Chemical Physics  140  144501  (2014) (DOI)
  • Recent Advances in Solid State NMR of Small Molecules in Confinement
    M. Werner, N. Rothermel, H. Breitzke, T. Gutmann, G. Buntkowsky
    Israel Journal of Chemistry  54  60-73  (2014) (DOI)
  • Vanishing amplitude of backbone dynamics causes a true protein dynamical transition: 2H NMR studies on perdeuterated C-phycocyanin
    K. Kämpf, B. Kremmling, M. Vogel
    Phys. Rev. E  89  032710  (2014) (DOI)
  • Local Microphase Separation of a Binary Liquid under Nanoscale Confinement
    X.-Y. Guo, T. Watermann, D. Sebastiani
    The Journal of Physical Chemistry B  118  10207-10213  (2014) DOI
  • Water Dynamics at Rough Interfaces
    M. Rosenstihl, K. Kämpf, F. Klameth, M. Sattig, M. Vogel
    arXiv:1407.5523 [cond-mat.soft] (2014) arXiv
  • NMR studies on the temperature-dependent dynamics of confined water
    M. Sattig, S. Reutter, F. Fujara, M. Werner, G. Buntkowsky, M. Vogel
    Phys. Chem. Chem. Phys.  16  19229-19240  (2014) DOI

2013

  • Common features of simple water models
    L. Heckmann, B. Drossel
    The Journal of Chemical Physics 138 234503 (2013) (DOI)
  • Restricted dynamics of a deuterated linker grafted on SBA-15 revealed by deuterium MAS NMR
    S. Jayanthi, M. Werner, Y. Xu, G. Buntkowsky, S. Vega
    The Journal of Physical Chemistry C 117 13114 (2013) (DOI)
  • Melting of naphthalene confined in mesoporous silica MCM-41
    B. Grünberg, A. Grünberg, H.-H. Limbach, G. Buntkowsky
    Applied Magnetic Resonance 44 189-201 (2013) (DOI)
  • Structure and dynamics of supercooled water in neutral confinements
    F. Klameth, M. Vogel
    Journal of Chemical Physics, 138 134503 (2013) (DOI)
  • Macromolecular crowding as a suppressor of human IAPP fibril formation and cytotoxity
    J. Seeliger, A. Werkmüller, R. Winter
    PLoS One, e69952 (2013) (DOI)
  • Effect of molecular crowding on the temperature-pressure stability diagram of Ribonuclease A
    Y. Zhai, R. Winter
    ChemPhysChem, 14 386 (2013) (DOI)
  • Micellar interactions in water-AOT based droplet microemulsions containing hydrophilic and amphiphilic polymers
    M. Appel, T. L. Spehr, R. Wipf, C. Moers, H. Frey, B. Stühn
    The Journal of Chemical Physics  139  184903  (2013) (DOI)
  • Density and confinement effects of glass forming m-toluidine in nanoporous Vycor investigated by depolarized dynamic light scattering
    T. Blochowicz, E. Gouirand, S. Schramm, B. Stühn
    The Journal of Chemical Physics  138  114501  (2013) (DOI)
  • AOT microemulsions: droplet size and clustering in the temperature range between the supercooled state and the upper phase boundary
    M. Domschke, M. Kraska, R. Feile, B. Stühn
    Soft Matter  9  11503-11512  (2013) (DOI)
  • Concentration induced ordering of microemulsion droplets in bulk and near the liquid-air interface
    M. Kraska, M. Domschke, B. Stühn
    Soft Matter  9  3488-3496  (2013) (DOI)
  • Water dependence of the dielectric β-relaxation in poly(ɛ-caprolactone)
    B. Kuttich, C. Lederle, B. Stühn
    The Journal of Chemical Physics  139  244907  (2013)(DOI)

2012

  • A one-dimensional model with water-like anomalies and two phase transitions
    L. Heckmann, B.Drossel
    The Journal of Chemical Physics 137, 064503 (2012) (DOI)
  • Melting of low molecular weight compounds in confinement observed by 2H-solid state NMR: Biphenyl, a case study
    N. de Sousa Amadeu, B. Grünberg, J. Frydel, M. Werner, H.-H. Limbach, H. Breitzke, G. Buntkowsky
    Zeitschrift für Physikalische Chemie 226 1169 (2012) (DOI)
  • Rotational resonance in milli-tesla fields detected by field cycling NMR
    S. Reutter, A. Privalov, G. Buntkowsky, F. Fujara
    Solid State Nuclear Magnetic Resonance 41 74 (2012) (DOI)
  • First principles calculations of NMR chemical shifts of liquid water at an amorphous silica interface
    X. Y. Guo, T. Watermann, S. Keane, C. Allolio, D. Sebastiani
    Zeitschrift für Physikalische Chemie 226 1415 (2012) (DOI)
  • The effect of ionic strength, temperature, and pressure on the interaction potential of dense protein solutions: From nonlinear pressure response to protein crystallization
    J. Möller, M.A. Schroer, M. Erlkamp, S. Grobelny, M. Paulus, S. Tiemeyer, F.J. Wrkert, M. Tolan, R. Winter
    Biophysics Journal, 102 2641 (2012) (DOI)
  • Exploring the thermodynamic derivatives of the structure factor of dense protein solutions
    M.A. Schroer, M. Tolan, R. Winter
    Physical Chemistry Chemical Physics 14 9486 (2012) (DOI)
  • Logarithmic-like relaxation of hydrated peptides
    A. Bormuth, A. Janz, K. Kämpf, F. Klameth, M. Vogel
    AIP Conference Proceedings  1459  11-13  (2012) (DOI)
  • Power-law and logarithmic relaxations of hydrated proteins: A molecular dynamics simulations study
    K. Kämpf, F. Klameth, M. Vogel
    The Journal of Chemical Physics  137  205105  (2012) (DOI)
  • Signature of a Type-A Glass Transition and Intrinsic Confinement Effects in a Binary Glass-Forming System
    T. Blochowicz, S. Schramm, S. Lusceac, M. Vogel, B. Stühn, P. Gutfreund, B. Frick
    Phys. Rev. Lett.  109  035702  (2012) (DOI)

2011

  • Nonlinear pressure dependence of the interaction potential of dense protein solutions
    M.A. Schroer, J. Markgraf, D.C.F. Wieland, C.J. Sahle, J. Möller, M. Paulus, M. Tolan, R. Winter
    Physical Review Letters, 106 178102 (2011) (DOI)
  • Exploring the Piezophilic Behavior of Natural Cosolvent Mixtures
    M. A. Schroer, Y. Zhai, D. C. F. Wieland, C. J. Sahle, J. Nase, M. Paulus, M. Tolan, R. Winter
    Angewandte Chemie  123  11615--11618  (2011) (DOI)