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首页> 外文期刊>Bulletin of the Chemical Society of Japan >Optimal Environment for Maximal Molecular Recognition against Temperature.Three Distinct Patterns in Temperature-Recognition Profiles as a Function of Composition of Aqueous Binary Solvents
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Optimal Environment for Maximal Molecular Recognition against Temperature.Three Distinct Patterns in Temperature-Recognition Profiles as a Function of Composition of Aqueous Binary Solvents

机译：分子对温度的最大识别的最佳环境。温度识别曲线中的三个不同模式随二元水性溶剂组成的变化

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摘要

Oxidation of a pair of associating thiols 1 and 2,each having a binding site [-C(=O)NHC(=O)NH-] and a recognition site (R~1 or R~2),is examined at various temperatures as a function of mole fraction of water (x_w) in aqueous binary solvents with EtOH,CH_3CN,and i-PrOH.The selectivity (r) - a measure of the degree of molecular recognition in the oxidation - is represented by the logarithmic ratio of the yield of the unsymmetrical disulfide 4 to twice that of the symmetrical one 3.It is found that three distinct patterns are present in temperature-recognition profiles,depending on composition of the aqueous binary solvents:(1) "progressive decrease" in the lower x_w region;(2) "presence of a maximum" in the medium x_w region;(3) "progressive increase" in the higher x_w region.It is also clarified that aqueous mixed solvents in the medium x_w region are indispensable for maximal recognition to occur against temperature (the presence of a maximum in the temperature-selectivity relationship).Dependence of the r on the x_w at lower and higher temperatures,presence of three distinct patterns in the temperature-recognition profiles,and so on are discussed in relation to the maximal recognition.
机译：在各种温度下检查一对结合硫醇1和2的氧化，每个硫醇具有结合位点[-C（= O）NHC（= O）NH-]和识别位点（R〜1或R〜2）与在EtOH，CH_3CN和i-PrOH中的二元水性溶剂中水（x_w）的摩尔分数的函数。选择性（r）-氧化过程中分子识别程度的度量-用对数比表示不对称二硫化物4的收率是对称不对称二硫化物4收率的两倍。发现，根据水性二元溶剂的组成，温度识别曲线中存在三种不同的模式：（1）下部的“递减” x_w区域;（2）中等x_w区域中的“最大值存在”;（3）较高x_w区域中的“逐步增加”。还明确了，中等x_w区域中的水性混合溶剂对于最大程度地识别为必不可少随温度而发生（温度-选择性关系中存在最大值在最高和最低温度下，r取决于x_w，在温度识别曲线中存在三个不同的模式，等等。

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