ITOH Shinobu Osaka Univ., Faculty of Engineering, Assistant Professor, 工学部, 助手 (30184659)
KOMATSU Mitsuo Osaka Univ., Faculty of Engineering, Associate Professor, 工学部, 助教授 (60029197)
|Budget Amount *help
¥32,700,000 (Direct Cost : ¥32,700,000)
Fiscal Year 1993 : ¥2,400,000 (Direct Cost : ¥2,400,000)
Fiscal Year 1992 : ¥7,200,000 (Direct Cost : ¥7,200,000)
Fiscal Year 1991 : ¥23,100,000 (Direct Cost : ¥23,100,000)
Novel methodologies for molecular design of condensed heterocyclic compounds containing pyridine and/or pyrrole skeletons have been developed in this project. A variety of novel methods for functionalization of condensed heterocyclic compounds were also established. These processes were not only generalized and simplified, but also made highly effective and precise through assessment of structure-function correlation of the products.
As one of functions of these types of compounds, azaindoles showed strong germicidal activity whose correlation with ionization potential was unveiled. Oligomers and polymers containing condensed heterocycles were also synthesized and applied to functional dyes, polymeric biocides, nonlinear optics and so on.
On the other hand, a number of synthetic routes were developed to design models of novel coenzymes, PQQ and TTQ, which clarified the mechanisms of biochemical catalytic oxidation-reduction processes. Based on these results, more effective design of coen
zyme models having superior ctalytic activity was successful. Another feature of this project is that molecular mechanical calculations and molecular orbital calculations were efficiently utilized to analyze molecular structures and reaction pathways which enabled better molecular design of heterocycles.
As the results of the systematic investigation, we could clarify effects of sort, number and position of heteroatoms, size and combination of rings, and substituted groups on various properties of condensed heterocycles as functional materials. These correlations and newly established methodologies will directly contribute to molecular design of natural products, functional materials, biologically active substances, etc.