期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 113, 期 24, 页码 6740-6744出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp811224h
关键词
-
资金
- U.S. Army Research Office
- U.S. Defense Threat Reduction Agency (DTRA)
- NSF
In this theoretical-experimental approach, we show using ab initio calculations behavior consistent with the activation of 7-dehydrocholesterol, provitamin D-3, as an initial reactant toward ultraviolet-activated reactions of vitamin D-3. We find using molecular orbital theory that a conformation between the provitamin and the vitamin shows higher conductance than those of the reactant and product. We also find experimental evidence of this electrical character by directly measuring current-voltage characteristics on irradiated and nonirradiated samples of the provitamin. The activation of the provitamin D-3 is characterized with an increase in current during the irradiation.
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