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首页> 外文期刊>Bioorganic and Medicinal Chemistry Letters >Kinetic and molecular orbital analyses of dicarboxylic acylcarnitine methylesterification show that derivatization may affect the screening of newborns by tandem mass spectrometry
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Kinetic and molecular orbital analyses of dicarboxylic acylcarnitine methylesterification show that derivatization may affect the screening of newborns by tandem mass spectrometry

机译：二羧酸酰基肉碱甲基酯化的动力学和分子轨道分析表明，衍生化可能会影响串联质谱法对新生儿的筛选

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摘要

Newborns are routinely screened for organic acidemias by acylcarnitine analysis. We previously reported the partial catalytic methylesterification of dicarboxylic acylcarnitines by benzenesulfonic acid moiety in the solid extraction cartridge during extraction from serum. Since the diagnosis of organic acidemias by tandem mass spectrometry is affected by the higher molecular weight of these derivatized acylcarnitines, we investigated the methylesterification conditions. The kinetic constants for the methylesterification of carboxyl groups on the acyl and carnitine sides of carnitine were 2.5 and 0.24 h (1), respectively. The physical basis underlying this difference in methylesterification rates was clarified theoretically, illustrating that methylesterification during extraction proceeds easily and must be prevented. (C) 2015 Elsevier Ltd. All rights reserved.
机译：常规通过酰基肉碱分析筛查新生儿的有机酸血症。我们先前报道了在从血清中提取过程中，固体萃取柱中的苯磺酸部分催化了二羧酸酰基肉碱的部分催化甲基酯化。由于通过串联质谱法诊断有机酸血症受这些衍生的酰基肉碱较高分子量的影响，因此我们研究了甲基酯化条件。肉碱的酰基和肉碱侧的羧基甲基化的动力学常数分别为2.5和0.24 h（1）。从理论上阐明了甲基酯化速率差异的物理基础，表明萃取过程中的甲基酯化容易进行，必须加以预防。 （C）2015 Elsevier Ltd.保留所有权利。

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