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一百个羧酸受体。

One Hundred Carboxylate Receptors.

机构信息

Institute of Chemistry, University of Tartu, Ravila 14a, 50411Tartu, Estonia.

出版信息

J Org Chem. 2022 Nov 4;87(21):14186-14193. doi: 10.1021/acs.joc.2c01725. Epub 2022 Oct 10.

Abstract

This work presents a compilation of binding constant (log) values in DMSO-d/HO (0.5% m/m) for a variety of receptors with 12 carboxylate anions (formate, acetate, lactate, pivalate, sorbate, hexanoate, benzoate, glyphosate, glucuronate, ibuprofen, naproxen, and ketoprofen). A total of 489 log values are listed for 100 anion receptor molecules. Most log values originate from previously published articles, along with some values for previously unpublished receptor molecules, spanning a workflow of 8 years. The purpose of this study is to serve as a comprehensive information source for selecting suitable receptor candidates to be used in practical carboxylate sensing applications, such as constructing ion-selective electrodes (ISE-s). To support such decision making, all receptors are presented together with lipophilicity (log) data.

摘要

本工作汇总了在 DMSO-d/HO(0.5% m/m)中 12 种羧酸根阴离子(甲酸盐、乙酸盐、乳酸盐、特戊酸盐、山梨酸盐、己酸盐、苯甲酸盐、草甘膦、葡萄糖醛酸盐、布洛芬、萘普生和酮洛芬)与各种受体结合常数(log)值。共列出了 100 种阴离子受体分子的 489 个 log 值。大多数 log 值源自先前发表的文章,还有一些来自先前未发表的受体分子,涵盖了 8 年的工作流程。本研究的目的是作为一个综合信息源,用于选择合适的受体候选物,以用于实际的羧酸根感应应用,如构建离子选择性电极(ISE-s)。为了支持这种决策,所有的受体都与亲脂性(log)数据一起呈现。

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