Zobrazeno 1 - 10
of 118
pro vyhledávání: '"Othmar Steinhauser"'
Publikováno v:
The Journal of Physical Chemistry Letters. 14:609-618
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b660351f16da16d4c2a6dfc2b270edfc
https://doi.org/10.1021/acs.jpclett.2c03574
https://doi.org/10.1021/acs.jpclett.2c03574
Autor:
Alea Quant, Othmar Steinhauser, Franca Castiglione, Christian Schröder, Philipp Honegger, Chiara Vaccarini, Andrea Mele, Maria Enrica Di Pietro
Publikováno v:
The Journal of Physical Chemistry Letters
The nuclear Overhauser effect (NOE) is a powerful tool in molecular structure elucidation, combining the subtle chemical shift of NMR and three-dimensional information independent of chemical connectivity. Its usage for intermolecular studies, howeve
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::734de3618e6b47492f4ff4753a0d2578
https://doi.org/10.1021/acs.jpclett.1c02253
https://doi.org/10.1021/acs.jpclett.1c02253
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(16)
Proton transfer reactions can enhance conductivity in protic ionic liquids. However, several proton reactions are possible in a multicomponent system of charged and neutral species, resulting in a complex reaction network. Probabilities and equilibri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::870c4662c16eb74ccb1088d0f24c9256
https://pubmed.ncbi.nlm.nih.gov/35403653
https://pubmed.ncbi.nlm.nih.gov/35403653
Autor:
Ralf Ludwig, Philipp Honegger, Viviane Overbeck, Christian Schröder, Othmar Steinhauser, Esther Heid, Anne Strate, Marion Sappl, Andreas Appelhagen
Publikováno v:
The Journal of Physical Chemistry Letters. 11:2165-2170
Fast-field-cycling relaxometry is a nuclear magnetic resonance method growing in popularity; yet, theoretical interpretation is limited to analytical models of uncertain accuracy. We present the first study calculating fast-field-cycling dipolar coup
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bfba8f4c362f2a8ce9c07a08b509df0c
https://doi.org/10.1021/acs.jpclett.0c00087
https://doi.org/10.1021/acs.jpclett.0c00087
Autor:
Othmar Steinhauser, Philipp Honegger
Publikováno v:
Physical Chemistry Chemical Physics. 21:8108-8120
Confinement and macromolecular crowding are acknowledged to be fundamental for the understanding of biomolecular systems. This computational study combines these two phenomena by investigating a multi-protein system encapsulated in a reverse micelle.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cabb210ff8db1f009d39c0c463c47442
https://doi.org/10.1039/c9cp00053d
https://doi.org/10.1039/c9cp00053d
Autor:
Philipp Honegger, Othmar Steinhauser
Publikováno v:
Physical Chemistry Chemical Physics. 21:14571-14582
This study is based on extensive MD simulations of a protein in a reverse micelle to mimic the effect of confinement on biomolecules. This permits the calculation of measurable quantities appearing in NQR and Nuclear Overhauser-NMR despite the high c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::094ce3771fb66b6154ba44a3564db674
https://doi.org/10.1039/c9cp02654a
https://doi.org/10.1039/c9cp02654a
Autor:
Gerhard Hagn, Michael Schmollngruber, Othmar Steinhauser, Omar Baig, Christian Schröder, Philipp Honegger, Cornelia von Baeckmann
Publikováno v:
Journal of Molecular Liquids. 272:766-777
In this computational study, we investigate the morphology and dynamics of nanostructures formed by the ionic liquid 1‑dodecyl‑3‑methylimidazolium chloride [C12mim]Cl dissolved in water. Recent works emphasize the positive impact of this additi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f270ca3a15bed8f0f623b7cb2c1445f2
https://doi.org/10.1016/j.molliq.2018.09.110
https://doi.org/10.1016/j.molliq.2018.09.110
Autor:
Othmar Steinhauser, Karina Shimizu, Philipp Marquetand, Esther Heid, Christian Schröder, José N. Canongia Lopes, Carlos E. S. Bernardes
An extended Designed regression analysis of experimental data on density and refractive indices of several classes of ionic liquids yielded statistically averaged atomic volumes and polarizabilities of the constituting atoms. These values can be used
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cd161e0667dfb567c8e477ac630ece9
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(33)
Different types of spectroscopy capture different aspects of dynamics and different ranges of intermolecular contributions. In this article, we investigate the dielectric relaxation spectroscopy (DRS) of collective nature and the time-dependent Stoke
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::562e7fa8fc26e76697cfb89791c50329
https://pubmed.ncbi.nlm.nih.gov/32797139
https://pubmed.ncbi.nlm.nih.gov/32797139
Publikováno v:
Physical Chemistry Chemical Physics. 20:19581-19594
Recent experiments by Weingärtner et al. have given a first hint that dielectric spectroscopy is able to yield a quantitative measure of inter-protein mutual orientation. Therefore, in this computational study, we investigate crowded multi-protein s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1252741d9f02e7f4828b7edab8feac74
https://doi.org/10.1039/c8cp02360c
https://doi.org/10.1039/c8cp02360c