用氯代苯、烷基酚和醇类化合物气相色谱保留指数预测其生物活(毒)性

USING THE RETENTION INDICES OF CHLOROBENZENES, PHENOLS AND ALCOHOL DERIVATIVES TO PREDICTING THEIR BIOACTIVITY (TOXICITY)

构建了从氯代苯、烷基酚和醇类化合物气相色谱保留指数RI预测其生物活(毒)性-lgCi的公式.研究了这3类衍生物在不同极性固定柱上测得的气相色谱保留指数RI预测其生物活(毒)性-lgCi的准确性.得出了弱极性固定柱上测得的气相色谱保留指数RI更能准确地预测其生物活(毒)性-lgCi,从而为有机化合物的生物活(毒)性测定和预报提供了一种简便易行的新方法.

Proposed using the retention indices RI of chlorobenzenes,phenol and alcohol derivatives to predict the bioactivity(toxicity)-lgC_i. Studied influence of the polarity of the stationary phase on the degree of accuracy of the predicting value of the -lgC_i. The retention indices RI that determined on the weak polar stationary phase can give more accurate predicting value of the -lgC_i. Classified the chlorobenzenes,phenol and alcohol derivatives as paraffin, define,apothems and aromatic,then got the ideal result by each type of predicting formula.