Zobrazeno 1 - 10
of 113
pro vyhledávání: '"Gerhard, Schwaab"'
Publikováno v:
AIP Advances, Vol 11, Iss 11, Pp 115112-115112-9 (2021)
The mass-selective infrared (IR) spectra of oxazole-(D2O)n≤2 complexes embedded in helium droplets are recorded in the spectral range of 2565–2800 cm−1. The experimental IR spectra are assigned by comparing with quantum chemical calculations at
Externí odkaz:
https://doaj.org/article/5f92b6665b2e45b5a714bdf64a4a68b6
Autor:
Katrin Lotz, Annika Wütscher, Hendrik Düdder, Cornelius M. Berger, Carmela Russo, Kallol Mukherjee, Gerhard Schwaab, Martina Havenith, Martin Muhler
Publikováno v:
ACS Omega, Vol 4, Iss 2, Pp 4448-4460 (2019)
Externí odkaz:
https://doaj.org/article/78c6ceb65e3648f08595f43602bc216e
Autor:
Hongxia Hao, Ellen M. Adams, Sarah Funke, Gerhard Schwaab, Martina Havenith, Teresa Head-Gordon
Publikováno v:
Journal of the American Chemical Society 145(2023)3, 1826-1834
Transport mechanisms of solvated protons of 1 M HCl acid pools, confined within reverse micelles (RMs) containing the negatively charged surfactant sodium bis(2-ethylhexyl) sulfosuccinate (NaAOT) or the positively charged cetyltrimethylammonium bromi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b51596ba4e12e0583628a3ec487e02d3
https://doi.org/10.1021/jacs.2c11331
https://doi.org/10.1021/jacs.2c11331
Autor:
Debasish Das Mahanta, Dennis Robinson Brown, Simone Pezzotti, Songi Han, Gerhard Schwaab, M. Scott Shell, Martina Havenith
Glycerol is a major cryoprotective agent and is widely used to promote protein stabilization. Through a combined experimental and theoretical study, we show that global thermodynamic mixing properties of glycerol and water are dictated by local solva
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::435e1270443e0c01bf853f69cae4fd9c
https://doi.org/10.26434/chemrxiv-2023-50tb6
https://doi.org/10.26434/chemrxiv-2023-50tb6
Autor:
Eliane P. van Dam, Benedikt König, Sashary Ramos, Ellen M. Adams, Gerhard Schwaab, Martina Havenith
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(45)
Aqueous hyaluronan solutions form an elastic hydrogel within a narrow pH range, around pH 2.4, making this a model system to study the conformational changes of the hydrogen bond network upon gelation. This pH-dependent behavior allows us to probe wa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::abd48eb4e4971dd4b6c45bd6d789312f
https://pubmed.ncbi.nlm.nih.gov/36367079
https://pubmed.ncbi.nlm.nih.gov/36367079
Publikováno v:
The Journal of Physical Chemistry A. 125:6954-6963
Polycyclic aromatic hydrocarbons are considered as primary carriers of the unidentified interstellar bands. The recent discovery of the first interstellar aromatic molecule, benzonitrile (C6H5CN), suggests a repository of aromatic hydrocarbons in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ae918a1a0c1329f55f0d994db2ccc2d
https://doi.org/10.1021/acs.jpca.1c04553
https://doi.org/10.1021/acs.jpca.1c04553
Publikováno v:
Proceedings of the 2022 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cc8fa0b33b91485645359bdd116ce84e
https://doi.org/10.15278/isms.2022.wd08
https://doi.org/10.15278/isms.2022.wd08
Publikováno v:
The Journal of Physical Chemistry A. 125:4766-4774
Hydration of heterocyclic molecules plays a crucial role in biological and chemical recognition. Here, we present an infrared (IR) spectroscopic investigation of microhydrated, heterocyclic isoxazole molecule. The IR spectra of isoxazole-(water)n≤2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fbfa4e7a9853a7ede5df67b3b1ddb385
https://doi.org/10.1021/acs.jpca.1c01974
https://doi.org/10.1021/acs.jpca.1c01974
Autor:
Daria Ruth Galimberti, Serena R. Alfarano, Louis Potier, Marie-Pierre Gaigeot, Flavio Siro Brigiano, Federico Sebastiani, Simone Pezzotti, Alessandra Serva, Gerhard Schwaab, Martina Havenith
Publikováno v:
The Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters, 2021, 12 (15), pp.3827-3836. ⟨10.1021/acs.jpclett.1c00257⟩
Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters, 2021, 12 (15), pp.3827-3836. ⟨10.1021/acs.jpclett.1c00257⟩
Hydrophobicity/hydrophilicity of aqueous interfaces at the molecular level results from a subtle balance in the water-water and water-surface interactions. This is characterized here via density functional theory-molecular dynamics (DFT-MD) coupled w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e17c83af68d57fa73040aa51fa13781d
https://doi.org/10.1021/acs.jpclett.1c00257
https://doi.org/10.1021/acs.jpclett.1c00257
Autor:
Simone Pezzotti, Magdalena Gebala, Daniel Herschlag, Gerhard Schwaab, Martina Havenith, Chun Yu Ma
Publikováno v:
Phys Chem Chem Phys
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics
Electrostatic interactions are central to the structure and function of nucleic acids, including their folding, condensation, and interaction with proteins and other charged molecules. These interactions are profoundly affected by ions surrounding nu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8bcfaf672a615c35e588a2fd81bda844
https://doi.org/10.1039/d1cp01963e
https://doi.org/10.1039/d1cp01963e