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。次级项目的主要支助 子项目的主要研究者可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 拉马尔大学的马丁小组研究了两种不同化学系统的光化学行为。第一类分子围绕叶酸。虽然已知光引起叶酸的光化学分解，但这种分解的化学机制目前尚不清楚。马丁小组使用实验和理论研究（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，这些文章都围绕着这项技术，以进一步了解叶酸光化学。第二部分研究了3（2 H）-呋喃酮的光化学异构化反应。简而言之，当暴露于UV辐射时，大多数3（2 H）-呋喃酮经历[2+2]二聚化。然而，2，5-二苯基-3（2 H）-呋喃酮和4-乙基-2，2-二甲基-3（2 H）-呋喃酮在暴露于光时都经历不同且不寻常的异构化。马丁小组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系统。

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.