New Approaches to Chemical System Designing in Kinetic-Differentiation Capillary Electrophoresis Separations of Metal and Molecular Complexes.

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The aim of this research project is the exploitation of novel CE separation modes for metal- and molecular complexes via a better understanding of the underlying solution chemistry of the CE separation, and the molecular designing approach for derivatizing ligands bifurcaied into the organic synthesis methodology and the computational chemistry.(1) Ionic mobilities are controlled by ion-ion interactions in eiectropnoretic buffer solutions ; an addition of polymer electrolyte such as poly(diallyldimethyi ammonium chioride) was found to be very effective for the fine separation of anionic metal chelates of poiyaminocarboxyiaies, EDTA, Quin 2, and HBED complexes.(2) The dissociation kinetics of 2,2'-dihydroxyazobenzene-5,5'-disulfonate chelates of AI(III), Ga(III), and In(III) ions in a CZE system were investigated, developing a new method for electroosmotic flow control by the pretreatment of the capillary tube with an acidic buffer solution.(3) Gel (molecular Sieving) CE was applied to … More the monitoring of naturally-occurring organics of humic and fulvic acids using polyacrylamide and cellulose as gel matrices. This methodology makes good contribution to the water quality assessment technology.(4) Some new methods were developed for the preparation of various kinds of thiacalixarenes compounds, and the suitability for the CE separation systems was examined in terms of metal ion recognition and chiral separations. Also it was found that a certain kind of this ligand specifically works as a receptor for haloorganics.(5) An approach of the molecular designing based on the computational chemistry was attempted ; an integrated computational system was constructed with the aid of density functional calculations, quantum molecular dynamics, the Monte Carlo method, and computer graphics. This system enables ones to make a fast calculation of the electronic states and structures of ligands under finite temperature and pressure, which is expected to be a very helpful and versatile tool for the molecular designing on a predicted proposition basis. Less