Ground-state conformational equilibrium of previtamin D and its E-isomer: Effect on the absorption characteristics

Ground-state conformational equilibrium of previtamin D and its E-isomer: Effect on the... The ground-state conformational analysis of previtamin D, its E-isomer, tachysterol, their 10-desmethyl analogues and 1-methyl-1-hydroxy-previtamins have been performed by force-field calculations. Differences in the absorption characteristics of these compounds are discussed in view of the chromophore geometry and abundance (%) of the calculated conformers according to a Boltzmann distribution at 298 K. On the basis of present calculations, the red shift of previtamin D low-temperature UV and CD spectra determined earlier is attributed to the shift of conformational equilibrium in favour of more stable cZc geometries. The effect of complex formation with simplest model cluster of silica surface ((H3SiO)3SiOH), on previtamin D and tachysterol conformational equilibria and on UV-absorbance maxima has been evaluated. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

Ground-state conformational equilibrium of previtamin D and its E-isomer: Effect on the absorption characteristics

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Publisher
Springer Netherlands
Copyright
Copyright © 1997 by Springer
Subject
Chemistry; Catalysis; Physical Chemistry; Inorganic Chemistry
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1163/156856797X00484
Publisher site
See Article on Publisher Site

Abstract

The ground-state conformational analysis of previtamin D, its E-isomer, tachysterol, their 10-desmethyl analogues and 1-methyl-1-hydroxy-previtamins have been performed by force-field calculations. Differences in the absorption characteristics of these compounds are discussed in view of the chromophore geometry and abundance (%) of the calculated conformers according to a Boltzmann distribution at 298 K. On the basis of present calculations, the red shift of previtamin D low-temperature UV and CD spectra determined earlier is attributed to the shift of conformational equilibrium in favour of more stable cZc geometries. The effect of complex formation with simplest model cluster of silica surface ((H3SiO)3SiOH), on previtamin D and tachysterol conformational equilibria and on UV-absorbance maxima has been evaluated.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Apr 14, 2009

References

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