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http://dx.doi.org/10.18419/opus-14277
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DC Element | Wert | Sprache |
---|---|---|
dc.contributor.author | Solomun, Tihomir | - |
dc.contributor.author | Hahn, Marc Benjamin | - |
dc.contributor.author | Smiatek, Jens | - |
dc.date.accessioned | 2024-04-25T13:13:47Z | - |
dc.date.available | 2024-04-25T13:13:47Z | - |
dc.date.issued | 2020 | de |
dc.identifier.issn | 1439-7641 | - |
dc.identifier.issn | 1439-4235 | - |
dc.identifier.other | 1887243429 | - |
dc.identifier.uri | http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-142964 | de |
dc.identifier.uri | http://elib.uni-stuttgart.de/handle/11682/14296 | - |
dc.identifier.uri | http://dx.doi.org/10.18419/opus-14277 | - |
dc.description.abstract | Recent crystallographic results revealed conformational changes of zwitterionic ectoine upon hydration. By means of confocal Raman spectroscopy and density functional theory calculations, we present a detailed study of this transformation process as part of a Fermi resonance analysis. The corresponding findings highlight that all resonant couplings are lifted upon exposure to water vapor as a consequence of molecular binding processes. The importance of the involved molecular groups for water binding and conformational changes upon hydration is discussed. Our approach further shows that the underlying rapid process can be reversed by carbon dioxide saturated atmospheres. For the first time, we also confirm that the conformational state of ectoine in aqueous bulk solution coincides with crystalline ectoine in its dihydrate state, thereby highlighting the important role of a few bound water molecules. | en |
dc.description.sponsorship | Deutsche Forschungsgemeinschaft | de |
dc.description.sponsorship | Projekt DEAL | de |
dc.language.iso | en | de |
dc.relation.uri | doi:10.1002/cphc.202000457 | de |
dc.rights | info:eu-repo/semantics/openAccess | de |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | de |
dc.subject.ddc | 530 | de |
dc.title | Raman spectroscopic signature of ectoine conformations in bulk solution and crystalline state | en |
dc.type | article | de |
dc.date.updated | 2023-11-14T05:53:46Z | - |
ubs.fakultaet | Mathematik und Physik | de |
ubs.fakultaet | Fakultätsübergreifend / Sonstige Einrichtung | de |
ubs.institut | Institut für Computerphysik | de |
ubs.institut | Fakultätsübergreifend / Sonstige Einrichtung | de |
ubs.publikation.seiten | 1945-1950 | de |
ubs.publikation.source | ChemPhysChem 21 (2020), S. 1945-1950 | de |
ubs.publikation.typ | Zeitschriftenartikel | de |
Enthalten in den Sammlungen: | 08 Fakultät Mathematik und Physik |
Dateien zu dieser Ressource:
Datei | Beschreibung | Größe | Format | |
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CPHC_CPHC202000457.pdf | 5,22 MB | Adobe PDF | Öffnen/Anzeigen |
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