Confined water as model of supercooled water

S Cerveny, F Mallamace, J Swenson, M Vogel… - Chemical …, 2016 - ACS Publications
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 …

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 …

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 …

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 …

Relaxation processes in supercooled confined water and implications for protein dynamics

J Swenson, H Jansson, R Bergman - Physical review letters, 2006 - APS
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 …

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 …

Anomalous nanoinclusion effects of 2D MoS 2 and WS 2 nanosheets on the mechanical stiffness of polymer nanocomposites

SK Kim, JJ Wie, Q Mahmood, HS Park - Nanoscale, 2014 - pubs.rsc.org
Polymer inorganic nanosheet composites hold great promise in enhancing their physical
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 …

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 …

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 …