Computational Prediction of Diastereomeric Separation Behavior of Fluorescent o-Phthalaldehyde Derivatives of Amino Acids

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概要

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• We have developed a convenient method for predicting the LC resolution of amino acid diastereomers through computational calculations. For acquiring experimental data, we derivatized 10 amino acids using o-phthalaldehyde and N-acetyl-L-cysteine as fluorogenic diastereomer-forming reagents and analyzed the diastereomers using reversed-phase LC and fluorescence detection. For theoretical chemical calculations, we used the publicly available semi-empirical calculation software MOPAC2012. Using the obtained experimental and theoretical data, we determined the change in analytical resolution with differences in the structure of the diastereomers. From the results obtained, we concluded that greater conformational change through diastereomeric derivatization induced an increase in the contact area with the stationary phase, leading to higher resolution.

• 社団法人日本分析化学会の論文

著者

• INOUE Koichi

  Laboratory of Analytical and Bio-Analytical Chemistry, School of Pharmaceutical Sciences, University of Shizuoka

• TODOROKI Kenichiro

  Laboratory of Analytical and Bio-Analytical Chemistry, School of Pharmaceutical Sciences, University of Shizuoka

• NAKANO Tatsuki

  Laboratory of Analytical and Bio-Analytical Chemistry, School of Pharmaceutical Sciences, University of Shizuoka

• WATANABE Hiroki

  Laboratory of Analytical and Bio-Analytical Chemistry, School of Pharmaceutical Sciences, University of Shizuoka

• MIN Jun

  Laboratory of Analytical and Bio-Analytical Chemistry, School of Pharmaceutical Sciences, University of Shizuoka

• ISHIKAWA Yoshinobu

  Laboratory of Physical Chemistry, School of Pharmaceutical Sciences, University of Shizuoka

関連論文

• Computational Prediction of Diastereomeric Separation Behavior of Fluorescent o-Phthalaldehyde Derivatives of Amino Acids

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