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

这个子项目是利用这些资源的众多研究子项目之一

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.