Correlation between the NMR Chemical Shifts and Thiolate Protonation Constants of Cysteamine, Homocysteine, and Penicillamine

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2022-08-04 DOI:10.1155/2022/9491360

Juliana Ferreira de Santana, A. Mirzahosseini, B. Noszál

引用次数: 0

Abstract

1H and 13C NMR measurements were carried out to explore anticipated correlations between chemical shifts versus thiolate basicities and redox potentials of cysteamine, homocysteine, penicillamine, and their homodisulfides. All correlations were analyzed and statistically evaluated. The closest correlation was observed for the αCH nuclei concerning 1H and 13C NMR data. Since neither site-specific basicities nor site-specific redox potentials can be directly measured by any means in peptides and proteins containing several thiol and/or disulfide units, these data provide a simple method and predictive power to estimate the aforementioned site-specific physicochemical parameters for analogous sulfur-containing moieties in related biopolymers.

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半胱胺、同型半胱胺和青霉胺的核磁共振化学位移与硫代质子化常数的关系

进行1H和13C NMR测量，以探索半胱胺、同型半胱胺、青霉胺及其同型二硫化物的化学位移与硫酸盐碱度和氧化还原电位之间的预期相关性。对所有相关性进行分析和统计评价。α - ch原子核在1H和13C核磁共振数据中具有最密切的相关性。由于位点特异性碱度和位点特异性氧化还原电位都不能通过任何方法直接测量含有多个硫醇和/或二硫单元的肽和蛋白质，因此这些数据提供了一种简单的方法和预测能力，可以估计相关生物聚合物中类似含硫部分的上述位点特异性物理化学参数。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.