[99Tcm(NO)Cl(PL)2]＋类配合物的定量构效关系

doi:10.3866/PKU.WHXB20030517

Acta Phys. -Chim. Sin. ›› 2003, Vol. 19 ›› Issue (05): 460-463.doi: 10.3866/PKU.WHXB20030517

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QSAR of [⁹⁹Tc^m(NO)Cl(PL)₂]^＋ Complexes

Zhang Hua-Bei;Li Bo;Dai Mei

Department of Chemistry, Beijing Normal University, Beijing　100875

Received:2002-09-02 Revised:2002-11-05 Published:2003-05-15

Abstract

Abstract: The geometries of fifteen [99Tcm(NO)Cl(PL)2]＋ complexes were optimized by semi-empirical quantum mechanics method——ZINDO/1 and many physical and chemical descriptors were obtained. Four equations were obtained by the multiple regressions between these drescriptors and heart intial uptake. New uptake mechanism of redox mechanism was revealed when analyzing these equations.

Key words: ZINDO/1, Heart uptake, Uptake mechanism, Redox, QSAR(quantitive structure-activity relationship)

Zhang Hua-Bei;Li Bo;Dai Mei. QSAR of [⁹⁹Tc^m(NO)Cl(PL)₂]^＋ Complexes[J].Acta Phys. -Chim. Sin., 2003, 19(05): 460-463.

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QSAR of [⁹⁹Tc^m(NO)Cl(PL)₂]^＋ Complexes

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QSAR of [99Tcm(NO)Cl(PL)2]＋ Complexes

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QSAR of [⁹⁹Tc^m(NO)Cl(PL)₂]^＋ Complexes