DFG Research Unit 1583
Hydrogen-bonded liquids subject to interfaces of various hydroaffinities (2011–2019)

The aim of FOR 1583 was to investigate the structure, dynamics, and phase behavior of hydrogen bonded liquids in confined systems with different size, suppleness, and hydroaffinity.

Hydrogen-bonded liquids exhibit a number of extraordinary properties, rendering them very interesting for basic- and application-oriented research. Well known examples are the anomalies of water, in particular, the density anomaly, which is essential for life.

Interfaces strongly affect the properties of liquids. For example, the fluidity of water in nanoscopic confinements depends on the hydroaffinity and size of the environment. The ability to control the behavior of hydrogen-bonded liquids in restricted spaces plays an enormous role for the regulation of biological processes and for the miniaturization in nanotechnology.

Research unit FOR 1583 combined modern techniques of preparation, characterization, and modelling to analyze the interplay of structure, dynamics, and phase behavior of hydrogen-bonded liquids in confinements of different size, hydroaffinity, and softness and for various external conditions, e.g., in a broad temperature range.

In general, the properties of a liquid in a confinement and in the bulk can differ because of the effects of interfaces and of finite size. The former result from specific interactions at the boundary surface, while the latter occur when the size of the confinement is comparable to structural and dynamical length scales of the system. To ascertain the relevance of these effects and to gain a fundamental understanding, mesoporous host materials with functionalized surfaces were prepared in FOR 1583. Moreover, a large number of experimental and theoretical methods were combined to analyze the behaviors of the guest materials. Specifically, the researchers uses methods of scattering, spectroscopy, calorimetry, and microscopy as well as approaches of simulation and modelling. In this way, it was possible to investigate structure and dynamics on a large variety of length- and time scales so as to, on the one hand, obtain fundamental insights into structure-dynamics relations on a microscopic level and, on the other, trace back macroscopic properties to molecular mechanisms.

The investigated confinements covered specially modified surfaces of mesoporous silicates, ion track channels in polymer foils, and droplets of micro-emulsions. The complexity of the enclosed liquids was varied systematically. The used liquids ranged from simple water, water-alcohol, and water-peptide mixtures to complex polymer and protein solutions.

Project 1

Production and controlled surface functionalisation of mesoporous SiO2-materials and ion track nano-channels

Prof. Dr. Christian Hess, Dr. Christina Trautmann

TU Darmstadt, GSI
Chemistry Deptartment, Materials Research Department

Project 2

Chemically modified silica materials as model systems for characterisation of water-surface interactions

Prof Dr. Gerd Buntkowsky, Dr. Hergen Breitzke

TU Darmstadt
Department of Physical Chemistry

Project 3

Dynamics of polymer/water mixtures in soft confinements

Prof. Dr. Bernd Stühn

TU Darmstadt
Condensed Matter Physics

Project 4

Solvation dynamics in super-cooled water mixtures in soft and hard confinements

Dr. Thomas Blochowicz*, Prof. Dr. Thomas Walther°

TU Darmstadt
*Condensed Matter Physics,°Applied Physics

Project 5

NMR investigation of water dynamics in confined systems

Prof. Dr. Michael Vogel

TU Darmstadt
Condensed Matter Physics

Project 6

Influence of the confinement on the conformation, dynamic, and solvation properties of peptides

Prof. Dr. Roland Winter

TU Dortmund
Department of Physical Chemistry

Project 7

Phasenverhalten binärer wässriger Flüssigkeiten in Ionenspurkanälen

Prof. Dr. Franz Fujara

TU Darmstadt
Physik Kondensierter Materie

Project 8

Ab-initio molecular-dynamic simulations and calculation of spectroscopic properties of hydrogen bonding liquids in confined systems

PD Dr. Daniel Sebastiani

FU Berlin
Theoretical Physics

Project 9

Molecular dynamic simulations of water mixtures in confined systems

Prof. Dr. Barbara Drossel, Prof. Dr. Michael Vogel

TU Darmstadt
Condensed Matter Physics

Project 10

Studies on orientation in lyotropic liquid crystalline phases

Prof. Dr. Christina Thiele

TU Darmstadt
Chemistry Department

Activities

  • 06.11.2017, 16:15 Uhr in Raum S2|08 171 von Prof. Dr. Silvina Cerveny (Materials Physics Centre University of Basque Country)
    Titel: “ε-poly(lysine) in aqueous solutions – Slaving versus plasticization phenomena”
  • 09.10.2017, 15:00 Uhr in Raum S2|07167 von Prof. Dr. Kia L. Ngai (CNR-IPCF, Dipartimento di Fisica Università di Pisa)
    Titel: “Corroborative evidences of the fundamental importance of theprimitive relaxation/JG β relaxation in dynamics of various interactingsystems”
  • 21.4.2017, 14:00 Uhr in Raum S|08 171 von Prof. Dr. Andreas Heuer (Westfälische Wilhelms-Universität Münster)
    Titel: “Von Molekülen zum physikalischen Verständnis – Computersimulationen auf verschiedenen Skalen”
  • 31.01.2017, 14:00 Uhr in Raum S2|11 10 von Prof. Dr. Elke Neu (Universität des Saarlandes)
    Titel: Color Centers in Diamond: Nanoscale Spin-Systems forQuantum Information and Sensing
  • 09.01.2017, 14:00 Uhr in Raum S2|07 109 von Prof. Dr. FriedemannReinhard (TU München)
    Titel: “Halbleiter Nanostrukturen und -und Quantensysteme”
  • 09.07.2015, 10:00 Uhr in Raum S2|07/167 von PD Dr. habil. Frank Vollmer (MPI for the Science of Light)
    Titel: “Studies of Soft Matter at Biosensor Interfaces”
    Vortragsreihe “Weiche Materie an Grenzflächen”
  • 09.07.2015, 15:00 Uhr in Raum S2|07/167 von Prof. Dr. Frieder Mugele (University of Twente)
    Titel: “Understanding and Controlling Solid Liquid Interfaces: FromMolecular Adsoprtion to Macroscopic Wetting Phenomena”
    Vortragsreihe “Weiche Materie an Grenzflächen”
  • 10.07.2015, 10:00 Uhr in Raum S2|07/167 von Prof. Dr. Karin Jacobs (Universität des Saarlandes)
    Titel: “Weiche Materie an Grenzflächen: Mikrofluidik & (Bio-) Adhäsion”
    Vortragsreihe “Weiche Materie an Grenzflächen”
  • 10.07.2015, 15:00 Uhr in Raum S2|07/167 von Prof. Dr. Ralf Seemann (Universität des Saarlandes)
    Titel: “Various Aspects of Liquid Interfaces: From Oil Recovery to Synaptic Signaling”
    Vortragsreihe “Weiche Materie an Grenzflächen”
  • 23.07.2015, 10:00 Uhr in Raum S2|07/167 von Prof. Dr. Regine von Klitzing (TU Berlin)
    Titel: “Physics of Liquid Films and Soft Interfaces”
    Vortragsreihe “Weiche Materie an Grenzflächen”
  • 28.07.2015, 10:00 Uhr in Raum S2|07/167 von Prof. Dr. Anke Lindner(University Paris Diderot)
    Titel: “Flow of Complex Suspensions”
    Vortragsreihe “Weiche Materie an Grenzflächen”
  • 28.07.2015, 15:00 Uhr in Raum S2|07/167 von Prof. Dr. Wiebke Drenckhan (University Paris-Sud)
    Titel: “Hard Science with Soft Matter: From Soap Bubbles to Cellular Solids”
    Vortragsreihe “Weiche Materie an Grenzflächen”
  • 19.03.2015, 10:30 Uhr in Raum S2|07/53 von Dr. Tamisra Pal (S.N. Bose National Centre for Basic Sciences, Indien)
    Titel: “Slow solvation in ionic liquids: Connections to non-Gaussianmoves and multi-point correlations”
  • 04.07.2014, 17:15 Uhr in Raum S2|14/024 von Prof. Dr. Andrea Cannizzo (Universität Bern, Schweiz)
    Titel: “Investigating functional dynamics in proteins and moleculardevices by ultrafast and coherent optical spectroscopies”
  • 09.05.2014, 17:15 Uhr in Raum S2/14/024 von :Prof. Dr. Silvie Roke(EPFL Lausanne, Schweiz)
    Titel: “Water, charge and interface stability”
  • 31.01.2014, 17:15 Uhr in Raum S2/14/024 von Prof. Dr. Jan Swenson (Chalmers, Schweden)
    Titel: “Dynamics of confined liquids”
  • 18.11.2013, 17:15 Uhr in Raum S2/04/213 von Dr. Albertor Rivera Calzada (Universidad Complutense, Madrid, Spanien)
    Titel: “Dynamics of ionic liquids based on different anions and cations”
  • 04.11.2013, 16:15 Uhr in Raum S1/01/A4 von Dr. Fajun Zhang (Universität Tübingen)
    Titel: “Tuning phase behavior in protein solutions with metal ions”
  • 22.10.2013, 17:15 Uhr in Raum S2/04/213 von Prof. Dr. Thomas Elsässer (Universität Berlin).
    Titel: “Ultrafast Hydration Processes of DNA and Phospholipids”.
  • 27.09.2013, 14:00 Uhr in Raum S2/04/213 von Dr. E. Bonacurso (CSI – Center of Smart Interfaces, TU Darmstadt).
    Titel: “Unterkühlte Wassertropfen und Eisbildung auf weichen und harten Polymeroberflächen”
  • 03.06.2013, 16:15 Uhr in Raum S2/04/213 von Prof. Dr. Werner Steffen (Max-Planck-Institut für Polymerforschung, Mainz)
    Titel. “REDLS and WEDLS as new approaches to dynamic lightscattering with evanescent waves at solid-liquid interfaces”
  • 06.05.2013, 16:15 Uhr in Raum S2/04/213 von Prof. Arieh Ben-Naim (The Hebrew University Jerusalem, Israel).
    Titel: “Myths and Verities in Theories of Protein Folding”
  • 14.1.2013, 16:15 Uhr in Raum S2/04/213 von Dr. Thomas Lörting (Universität Innsbruck).
    Titel: “Es gibt einen Glasübergang von Wasser!”
    (im Rahmen des FOR1583 Symposiums On the Glass Transition ofWater)
  • 10.12.2012, 13:00 Uhr in Raum S2/15/134 von Prof. Dr. Burkhard Militzer (Berkeley, USA).
    Titel: “Ab initio Simulationen zur Beschreibung von Planetenkernen”.
  • 04.12.2012, 13:30 Uhr in Raum S2/15/134 von Dr. Richard Vink (Universität Göttingen).
    Titel: “Komplexe Flüssigkeiten in einschränkenden Geometrien”.
  • 05.11.2012, 16:15 Uhr in Raum S2/04/213 von Dr. Catalin Gainaru (TU Dortmund).
    Titel: “The Debye Process in Monoalcohols: A Century Old Puzzle and Means to its Resolution”.
    (im Rahmen des FOR1583 Symposiums Broadband Dielectric Spectrosopy)
  • 09.07.2012, 17:00 Uhr in Raum S2/04/213 von Prof. Dr. Christiane Alba-Simionesco (CEA, Frankreich). Titel: “Phase transitions of molecularliquids at the nanoscale: looking for deviations from continuumexpectations”.
  • 14.05.2012,16:15 Uhr in Raum S2/04/213:
    Titel “Konformation, Dynamik und Solvatation von Peptiden im Confinement” von Prof. Dr. Roland Winter (Universität Dortmund).
  • 05.12.2011, 16:15 Uhr in Raum S2/04/213:
    Titel “Water Diffusion in Protein Matrices” von Dipl-Phys. Markus Rosenstihl (TU Darmstadt)
  • 10.11.2011, 14:30 Uhr in Raum L2/04/322:
    Titel “Recent Progress in the ab-initio MD-Simulation of Confined Liquids” von Priv.-Doz. Dr. Daniel Sebastiani (Freie Universität Berlin)
  • 17.10.2011, 16:15 Uhr in Raum S2/04/213:
    Titel “Struktur und Dynamik in komplexen Flüssigkeiten und Gläsern” von Prof. Dr. Ranko Richert (Arizona State University)
  • 24.-26.09.2018 International FOR1583 Symposium in Grasellenbach
  • 09.-28.07.2015 Talk Series: Soft Matter at Interfaces
  • 14.01.2013, von 13:30-16:00 Uhr in Raum S1/05/24: FOR1583 Symposium – On the Glass Transition of Water
  • 5.11.2012, von 13:30-16:00 Uhr in Raum S1/05/24: FOR1583 Symposium – Broadband Dielectric Spectrosopy in Darmstadt.
  • 13.-14.03.2017, 6. Forschergruppentreffen in Johannesberg.
  • 17.-19.08.2016, Doktorandentreffen in Halle (Saale)
  • 05.-06.03.2016, 5. Forschergruppentreffen in Johannesberg.
  • 04.-05.05.2015, 4. Forschergruppentreffen in Johannesberg.
  • 07.05.2014, Doktorandentreffen der Forschergruppe in Darmstadt.
  • 23.04.2014, Doktorandentreffen der Forschergruppe in Darmstadt.
  • 07.-08.10.2013, 3. Forschergruppentreffen in Johannesberg.
  • 05.-06.03.2013, 2. Forschergruppentreffen in Johannesberg.
  • 11.12.2012, Treffen der Forschergruppe in Darmstadt.
  • 05.-06.03.2012, 1. Forschergruppentreffen in Johannesberg.
  • 12.-13.07.2012, Doktorandentreffen der Forschergruppe in Darmstadt.

Publications

  • 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)
  • 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)
  • 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)
  • 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
  • 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)
  • 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)
  • 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)
  Name Working area(s) Contact
Prof. Dr. Michael Vogel
Molecular Dynamics of Soft Matter
+49 6151 16-21500
S2|07 82
Prof. Dr. Gerd Buntkowsky
+49 6151 16-2607
L2|02 52
Dr. Markus Rosenstihl
S2|07 79