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http://dx.doi.org/10.18419/opus-14277
Autor(en): | Solomun, Tihomir Hahn, Marc Benjamin Smiatek, Jens |
Titel: | Raman spectroscopic signature of ectoine conformations in bulk solution and crystalline state |
Erscheinungsdatum: | 2020 |
Dokumentart: | Zeitschriftenartikel |
Seiten: | 1945-1950 |
Erschienen in: | ChemPhysChem 21 (2020), S. 1945-1950 |
URI: | http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-142964 http://elib.uni-stuttgart.de/handle/11682/14296 http://dx.doi.org/10.18419/opus-14277 |
ISSN: | 1439-7641 1439-4235 |
Zusammenfassung: | 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. |
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 |
Diese Ressource wurde unter folgender Copyright-Bestimmung veröffentlicht: Lizenz von Creative Commons