Department of Applied Chemistry, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871, Japan.
J Phys Chem A. 2012 Sep 20;116(37):9340-6. doi: 10.1021/jp306363n. Epub 2012 Sep 6.
Polychlorinated biphenyls (PCBs) are still of serious concern as a potential health hazard due to their persistency and bioacumulation. Of 209 possible PCB congeners, with varying number and position of chlorine atom(s), 19 are chiral. These are mostly highly chlorinated and tend to remain longer against the biological decompositions, suffering biological deracemization in the environment. In this work, we have unequivocally determined the absolute configurations of important chiral PCBs 183 and 171, as well as 132, through the combined theoretical and experimental investigations of the chiroptical properties (circular dichroism and optical rotation), which will be valuable in elucidating the mechanism of biological enantiomer enrichment of PCBs in the environment.
多氯联苯（PCBs）由于其持久性和生物蓄积性，仍然是一个严重的健康隐患。在 209 种可能的 PCB 同系物中，氯原子的数量和位置各不相同，其中 19 种具有手性。这些同系物大多是高度氯化的，往往更能抵抗生物分解，在环境中发生生物对映体消旋化。在这项工作中，我们通过对旋光性质（圆二色性和旋光度）的理论和实验研究，明确地确定了重要手性 PCBs 183 和 171 以及 132 的绝对构型，这对于阐明环境中 PCBs 的生物对映体富集机制将具有重要价值。
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