Confined water as model of supercooled water
Water in confined geometries has obvious relevance in biology, geology, and other areas
where the material properties are strongly dependent on the amount and behavior of water …
where the material properties are strongly dependent on the amount and behavior of water …
Structural and dynamical properties of liquids in confinements: A review of molecular dynamics simulation studies
R Horstmann, L Hecht, S Kloth, M Vogel - Langmuir, 2022 - ACS Publications
Molecular dynamics (MD) simulations are a powerful tool for detailed studies of altered
properties of liquids in confinement, in particular, of changed structures and dynamics. They …
properties of liquids in confinement, in particular, of changed structures and dynamics. They …
A unified model of protein dynamics
H Frauenfelder, G Chen, J Berendzen… - Proceedings of the …, 2009 - National Acad Sciences
Protein functions require conformational motions. We show here that the dominant
conformational motions are slaved by the hydration shell and the bulk solvent. The protein …
conformational motions are slaved by the hydration shell and the bulk solvent. The protein …
Dynamics of water intercalated in graphite oxide
S Cerveny, F Barroso-Bujans, A Alegria… - The Journal of …, 2010 - ACS Publications
Intercalated water in graphite oxide (GO) was investigated by using different techniques:
broadband dielectric spectroscopy (BDS)(10− 2− 109 Hz; 140− 300 K), differential scanning …
broadband dielectric spectroscopy (BDS)(10− 2− 109 Hz; 140− 300 K), differential scanning …
Relaxation processes in supercooled confined water and implications for protein dynamics
We show that the viscosity-related main (α) relaxation of confined water vanishes at a
temperature where the volume required for the cooperative α relaxation becomes larger …
temperature where the volume required for the cooperative α relaxation becomes larger …
Ice-water equilibrium in nanoscale confinement
V Schiller, M Vogel - Physical Review Letters, 2024 - APS
We show that 2D H 2 NMR spectra enable valuable insights into the nature of an ice-water
equilibrium in nanoscale confinement, which extends over a broad temperature range. In …
equilibrium in nanoscale confinement, which extends over a broad temperature range. In …
Anomalous nanoinclusion effects of 2D MoS 2 and WS 2 nanosheets on the mechanical stiffness of polymer nanocomposites
Polymer inorganic nanosheet composites hold great promise in enhancing their physical
and mechanical properties by increasing the interfacial area. Herein, we demonstrate the …
and mechanical properties by increasing the interfacial area. Herein, we demonstrate the …
Universal features of water dynamics in solutions of hydrophilic polymers, biopolymers, and small glass-forming materials
S Cerveny, Á Alegría, J Colmenero - … Review E—Statistical, Nonlinear, and Soft …, 2008 - APS
A systematic investigation by dielectric spectroscopy of 18 different water-rich mixtures with
very different hydrophilic substances shows universal features for the water dynamics. The …
very different hydrophilic substances shows universal features for the water dynamics. The …
Effect of addition of silica-and amine functionalized silica-nanoparticles on the microstructure of calcium silicate hydrate (C–S–H) gel
M Monasterio, JJ Gaitero, E Erkizia, AMG Bustos… - Journal of colloid and …, 2015 - Elsevier
In this work we study the influence of adding nano-silica (SiO 2, Nyasil™) and aminopropyl (–
(CH 2) 3–NH 2,) functionalized silica nanoparticles (Stoga) during the synthesis of calcium …
(CH 2) 3–NH 2,) functionalized silica nanoparticles (Stoga) during the synthesis of calcium …
Small molecules, non-covalent interactions, and confinement
G Buntkowsky, M Vogel - Molecules, 2020 - mdpi.com
This review gives an overview of current trends in the investigation of small guest molecules,
confined in neat and functionalized mesoporous silica materials by a combination of solid …
confined in neat and functionalized mesoporous silica materials by a combination of solid …