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化合物100％水相保留因子(kw)常用于以反相液相色谱法(RPLC)构建定量结构-色谱保留关系(QSRR)或定量结构与毒/活性关系(QST/AR)模型,以预测化合物的油-水分配系数或其毒/活性.为考察影响kw的因素,以中性及酸碱类代表化合物为研究对象,于RPLC体系中,分别在不同色谱柱、仪器、柱温及溶剂温度等条件下,测定化合物在不同流动相比例下的保留时间,通过Snyder-Soczewinski方程得到其log kw.结果表明,各化合物在不同C18键合硅胶基色谱柱上log kw的RSD为0.8％ ～3.4％;在20℃～60℃范围内log kw的RSD为6.1％ ～13.1％,logkw与柱温1/Tc之间具有良好的线性关系(R2 ＞0.99);各化合物在不同仪器以及不同溶剂温度下log kw的RSD分别小于2.7％和1.7％.由此可见,在反相液相色谱中,化合物于同一类型载体色谱柱的log kw,其影响因素主要为柱温,但可通过Van't Hoff方程进行修正.“,”It is suggested that kw,the retention factor obtained by extrapolating to neat aqueous fraction of binary mobile phase on reversed-phase liquid chromatography (RPLC),is often used to build quantitative structure-retention relationship (QSRR) and quantitative structure-toxicity (activity)relationship (QST/AR) for predicting octanol-water partition coefficient (Kow) or toxicity/activity of compounds.In order to discuss the influencing factors of kw,retention times were determined under different chromatographic conditions (such as chromatographic column,instrument,column temperature,solvent temperature and so on),and then log kw was obtained by Snyder-Soczewinski equation for acid,neutral and basic representative compounds.The results indicated that RSDs of log kw on different C1s columns were in the range between 0.8％ and 3.4％;good linear relationships (R2 ＞ 0.99) were observed between log kw and 1/Tc (column temperature),which were called Van't Hoff equation,and RSDs of log kw with Tc changed from 20℃ to 60℃ were up to 6.1％ ～13.1％;RSDs of log kw on different instruments and solvent temperatures were less than 2.7％ and 1.7％,respectively.Therefore,it can be concluded that the main factor affecting log kw is column temperature on chromatographic columns with same silica gel carrier in reversed-phase liquid chromatography,but log kw can be corrected by Van't Hoff equation.