THEORETICAL INVESTIGATION OF THE PHOTOCHEMICAL BEHAVIOR OF FOLIC ACID AND 3(2H)

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 拉马尔大学的马丁团队研究了两种不同化学体系的光化学行为。第一类分子围绕着叶酸。虽然已经知道光会导致叶酸的光化学分解，但目前这种分解的化学机制尚不清楚。马丁小组利用实验和理论研究(即高斯09计算)来进一步了解这些分子与光的相互作用，以进一步了解这个系统。到目前为止，马丁小组已经发表了几篇同行评议的文章，主要围绕这项技术来进一步了解叶酸的光化学。第二个研究是研究一些3(2H)-呋喃酮的光化学异构化反应。简而言之，大多数3(2H)-呋喃酮在紫外线照射下会发生[2 2]二聚反应。然而，2，5-二苯基-3(2H)呋喃酮和4-乙基-2，2-二甲基-3(2H)-呋喃酮在光照下都会发生不同的异构化反应。马丁团队正在使用理论计算来探索这些分子之间的根本差异，试图进一步了解这些化学体系。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. The Martin group at Lamar University investigates the photochemical behavior of two different chemical systems. The first family of molecules surrounds folic acid. Although it is known that light causes the photochemical decomposition of folic acid, the chemical mechanism of this decomposition is currently unknown. The Martin group uses both experimental and theoretical investigations (i.e. Gaussian 09 calculations) to further understand the interaction of these molecules with light to further understand this system. To date, the Martin group has already published several peer-reviewed articles that have focused around this technique to further understand folic acid photochemistry. The second are of research involves investigating the photochemical isomerization reaction demonstrated by some 3(2H)-furanones. Breifly, most 3(2H)-furanones undergo a [2+2] dimerization when exposed to UV radiation. However 2,5-diphenyl-3(2H)furanone and 4-ethyl-2,2-dimethyl-3(2H)-furanone both undergo different and unusual isomerizations when exposed to light. The Martin group is using theoretical calculations to probe the fundamental differences between these molecules in an attempt to further understand these chemical systems.