Abraham M H, Kumarsingh R, Cometto-Muniz J E, Cain W S
Department of Chemistry, University College London, 20 Gordon Street, London, WC1H OAJ, UK.
Toxicol In Vitro. 1998 Jun 1;12(3):201-7. doi: 10.1016/s0887-2333(97)00117-3.
A collection of data on the Draize rabbit eye test (Cronin et al., 1994) has been analysed using a set of physicochemical descriptors that we have previously put forward. These descriptors are compound (or solute) parameters as follows: R(2) is an excess molar refraction, pi(2)(H) is the polarizability/dipolarity, Sigmaalpha(2)(H) and Sigmabeta(2)(H) are the effective hydrogen bond acidity and basicity, and logL(16) is a descriptor where L(16) is the vapour-hexadecane solubility at 25 degrees C. When applied to Draize eye scores (DESs) for 38 pure bulk liquids, a very poor equation was obtained. However, when the DES values were correlated as log(DES/P(o)), where P(o) is the liquid vapour pressure, an excellent equation was found. On transforming the calculated log(DES/P(o)) values back to calculated DES values, there was good agreement with the original DES values. It is suggested that the DES/P(o) values refer to transfer of the irritant from the vapour phase to the biophase, and that the success of the present treatment demonstrates that for the pure liquids studied, a major factor in the Draize eye test is simply the transfer of the liquid (or the vapour) to the biological system.
已使用我们先前提出的一组物理化学描述符对一组关于德莱兹兔眼试验的数据（克罗宁等人，1994年）进行了分析。这些描述符是化合物（或溶质）参数，具体如下：R(2)是过量摩尔折射，π(2)(H)是极化率/偶极矩，∑α(2)(H)和∑β(2)(H)是有效氢键酸度和碱度，logL(16)是一个描述符，其中L(16)是25℃时的蒸汽-十六烷溶解度。当将其应用于38种纯散装液体的德莱兹眼评分（DESs）时，得到了一个非常不理想的方程。然而，当将DES值关联为log(DES/P(o))时（其中P(o)是液体蒸气压），发现了一个出色的方程。将计算得到的log(DES/P(o))值转换回计算得到的DES值时，与原始DES值吻合良好。有人认为，DES/P(o)值指的是刺激物从气相转移到生物相，并且本研究的成功表明，对于所研究的纯液体，德莱兹兔眼试验中的一个主要因素仅仅是液体（或蒸气）向生物系统的转移。
