Donovan Stephen F, Pescatore Mark C
BASF, Princeton, NJ 08543-0400, USA.
J Chromatogr A. 2002 Apr 5;952(1-2):47-61. doi: 10.1016/s0021-9673(02)00064-x.
A simple, quick, versatile and inexpensive HPLC method to estimate the logarithm of the octanol-water partition coefficient (log Pow) employing a methanol-water gradient and a short octadecyl-poly(vinyl alcohol) (ODP) column is described. This method is different from published HPLC-based log Pow methods because it uses retention times from a rapid methanol-water gradient to directly generate log Pow estimates, rather than from a series of isocratic mixtures extrapolated to 100% water. These HPLC log Pow values have good precision and correlate well with traditional shake-flask log Pow values. If necessary, the log Pow determination (including replications) can easily be carried out using only a milligram of sample. By suppressing ionization of acids and bases by the use of a buffer in the aqueous phase, the method can measure the log Pow of neutral organic molecules at any pH between 2 and 13. The method can be used with impure material and is rapid, 7 min per run and 4 min equilibration; it lends itself to and has been utilized for high-throughput hydrophobicity determinations (we have now carried out thousands of HPLC log Pow measurements by this method).
本文描述了一种简单、快速、通用且廉价的高效液相色谱（HPLC）方法，该方法采用甲醇 - 水梯度和短链十八烷基 - 聚乙烯醇（ODP）柱来估算正辛醇 - 水分配系数的对数（log Pow）。此方法与已发表的基于HPLC的log Pow方法不同，因为它利用快速甲醇 - 水梯度的保留时间直接生成log Pow估算值，而非来自一系列外推至100%水的等度混合物。这些HPLC log Pow值具有良好的精密度，并且与传统摇瓶法得到的log Pow值相关性良好。如有必要，仅使用一毫克样品即可轻松进行log Pow测定（包括重复测定）。通过在水相中使用缓冲剂抑制酸和碱的电离，该方法可以测量2至13之间任何pH值下中性有机分子的log Pow。该方法可用于不纯物质，速度快，每次运行7分钟，平衡4分钟；它适用于高通量疏水性测定，并且已经被用于此（我们现在已经通过这种方法进行了数千次HPLC log Pow测量）。
