My work has focused on streamlining the study of organic compound structure, properties, and reactions by 1) understanding and using available computational software, 2) developing software packages to facilitate data manipulation as well as augment public programs, and 3) applying public and in-house developed software to further the understanding of...
In this dissertation, the process of computational modeling of amorphous oxide materials is studied. Amorphous oxides have random atomic arrangements with no long-range structural order which makes it difficult to study structure-property relationships. Despite the difficulties, amorphous oxides have great uses as semiconductors and dielectrics in thin-film transistors. The ability...
The synthesis of axially chiral polyfunctional derivatives of 8,8'-biquinolyl was explored and the catalytic action of appropriate derivative types investigated in three separate processes: (1) the silylcyanation of carbonyl groups and imines, (2) alkylation of a glycine Schiff-base via phase transfer-catalysis, and (3) direct amide bond formation from simple amines...
White muscle disease or muscular dystrophy of sheep is a selenium
responsive malady common to many areas with an inherent natural
deficiency of selenium in the forage. The disease can be prevented in
lambs by adding trace amounts (approximately 0.1 ppm) of selenium to
the otherwise selenium deficient, forage fed...
In an attempt to find a laboratory species which develops an
experimental myopathy similar to white muscle disease (WMD) in
lambs, comparative studies of nutritional muscular dystrophy of
chicks were initiated. This condition was grossly visible as white
striations running parallel with the fibers of the pectoral muscles and
was...
In this dissertation, a novel method for analyzing computed transition states (TS) for organic reactions is disclosed. It introduces the use of localization-delocalization matrices as parameters in a linear free energy relationship to determine the transition state interactions responsible for differences in energy between the major and minor TS in...
Automation of computational chemistry, while only an engineering feat, has the potential to accelerating computational research be removing all by the science. The work in this thesis mainly discusses fundamental understanding of complex chemical systems. What is not obvious are the numerous tasks necessary for this fundamental understanding. Under the...
Copper in blood and liver can be divided into several fractions.
Copper in blood is about evenly divided between erythrocytes and
plasma. Normal concentrations for most species range between one and
two parts per million. Plasma copper is mainly a copper protein,
ceruloplasmin and a loosely bound form, reacting directly...
The preparation and characterization of thin film oxides and chalcogenides by pulsed laser deposition (PLD) is presented. An overview of fundamental PLD concepts are presented and are followed by a description implementation and development of the PLD systems at OSU. We present the results of thin film growth of high...
A total synthesis of the fungal hormones, trisporic acids A and B, is described, starting from a -methyltetronic acid 34. A Robinson annelation of 34 with ethyl vinyl ketone affords the lactone 33. Treatment of 33 with N-bromosuccinimide gave 97, which was hydrolyzed to the lactol 103. The reaction of...