Jia Wendong, Hu Chengzhen, Wang Yuqin, Liu Yao, Wang Liying, Zhang Shanyu, Zhu Qiang, Gu Yuming, Zhang Panke, Ma Jing, Chen Hong-Yuan, Huang Shuo
State Key Laboratory of Analytical Chemistry for Life Sciences, School of Chemistry and Chemical Engineering, Nanjing University, 210023 Nanjing, China.
Chemistry and Biomedicine Innovation Center (ChemBIC), Nanjing University, 210023 Nanjing, China.
ACS Nano. 2022 Apr 26;16(4):6615-6624. doi: 10.1021/acsnano.2c01017. Epub 2022 Apr 8.
Enantiomers, chiral isomers with opposite chirality, typically demonstrate differences in their pharmacological activity, metabolism, and toxicity. However, direct discrimination between enantiomers is challenging due to their similar physiochemical properties. Following the strategy of programmable nanoreactors for stochastic sensing (PNRSS), introduction of phenylboronic acid (PBA) to a porin A (MspA) assists in the identification of the enantiomers of norepinephrine and epinephrine. Using a machine learning algorithm, identification of the enantiomers has been achieved with an accuracy of 98.2%. The enantiomeric excess (ee) of a mixture of enantiomeric catecholamines was measured to determine the enantiomeric purity. This sensing strategy is a faster method for the determination of ee values than liquid chromatography-mass spectrometry and is useful as a quality control in the industrial production of enantiomeric drugs.
对映体,即具有相反手性的手性异构体,通常在药理活性、代谢和毒性方面表现出差异。然而,由于它们相似的物理化学性质,直接区分对映体具有挑战性。遵循用于随机传感的可编程纳米反应器(PNRSS)策略,将苯硼酸(PBA)引入孔蛋白A(MspA)有助于识别去甲肾上腺素和肾上腺素的对映体。使用机器学习算法,对映体的识别准确率达到了98.2%。测量对映体儿茶酚胺混合物的对映体过量(ee)以确定对映体纯度。这种传感策略是一种比液相色谱 - 质谱法更快的测定ee值的方法,并且在对映体药物的工业生产中用作质量控制。