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 …

Recent advances in solid state NMR of small molecules in confinement

M Werner, N Rothermel, H Breitzke… - Israel Journal of …, 2014 - Wiley Online Library
In the past years, porous media have become a major focus of materials science, due to
their versatile properties, such as high surface area, low specific weight, high surface …

For whom a puddle is the sea? Adsorption of organic guests on hydrated MCM-41 silica

IG Shenderovich - Langmuir, 2020 - ACS Publications
Thermal and hydration effects on the mobility of compact and branched organic molecules
and a bulky pharmaceutical substance loaded in submonolayer amounts onto mesoporous …

Spatial distribution of silica-bound catalytic organic functional groups can now be revealed by conventional and DNP-enhanced solid-state NMR methods

T Kobayashi, M Pruski - ACS Catalysis, 2019 - ACS Publications
Understanding the spatial distribution of functionalities on surfaces with atomic-scale
resolution is very important for catalytic applications, yet very challenging for analytical …

Multinuclear solid-state NMR study: a powerful tool for understanding the structure of ZnO hybrid nanoparticles

G Spataro, Y Champouret, P Florian… - Physical Chemistry …, 2018 - pubs.rsc.org
Characterization of hybrid materials is crucial for gaining an in-depth understanding of nano-
objects. Here, it is evidenced that the use of multinuclear 1H, 2H, 13C, 15N, 67Zn and 17O …

[HTML][HTML] 2H NMR study on temperature-dependent water dynamics in amino-acid functionalized silica nanopores

E Steinrücken, T Wissel, M Brodrecht… - The Journal of …, 2021 - pubs.aip.org
We prepare various amino-acid functionalized silica pores with diameters of∼ 6 nm and
study the temperature-dependent reorientation dynamics of water in these confinements …

Properties of hydrogen-bonded liquids at interfaces

G Buntkowsky, M Vogel, R Winter - Zeitschrift für Physikalische …, 2018 - degruyter.com
Abstract Effects of interfaces on hydrogen-bonded liquids play major roles in nature and
technology. Despite their importance, a fundamental understanding of these effects is still …

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

M Brodrecht, B Kumari, H Breitzke… - Zeitschrift für …, 2018 - degruyter.com
A series of novel functionalized mesoporous silica-based materials with well-defined pore
diameters, surface functionalization and surface morphology is synthesized by co …

Deuterium MAS NMR and local molecular dynamic model to study adsorption–desorption kinetics of a dipeptide at the inner surfaces of SBA-15

S Jayanthi, S Kababya, A Schmidt… - The Journal of Physical …, 2016 - ACS Publications
This work presents a deuterium magic angle spinning (MAS) NMR study of the adsorption–
desorption dynamics of glycine-(2, 2)-d 2-alanine dipeptide adsorbed at the inner surfaces …

Combining MD simulations and NMR spectroscopy for molecular insight and methodological synergy: the integrated MD-NMR method

F Mocci, A Laaksonen - 2015 - books.rsc.org
NMR spectroscopy and MD simulations are highly complementary techniques to study
molecular structures, interactions and dynamics. MD simulations are currently reaching the …