QSAR STUDY OF ~(99)Tc~m LABELLED N_3O_3-SCHIFF BASE COMPLEXES
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Graphical Abstract
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Abstract
The geometries of \~+ complexes are optimized by the semi-empirical quantum mechanics method——ZINDO/1 and many physical and chemical descriptors are obtained. Step multiple regression between these descriptors and heart initial uptake is done and an equation is obtained. New uptake mechanism is proposed: the complexes with low polarity might be passively transported into the myocardium cell, and would be "trapped" by proteins with negative charge on the membrane mitochondria because of the Q~+max) of the complexes.
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