半亚原子bbbb_uril的溶剂化和热稳定性

IF 1.6 4区化学 Q2 Agricultural and Biological Sciences

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-02-22 DOI:10.1007/s10847-025-01279-z

Renato S. Cicolani, Debora M. Onusik, Rafael G. Antoneli, Lilian R. R. Souza, Bianca V. Olmedo, Murilo M. Bertolucci, Grégoire J.-F. Demets

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引用次数: 0

摘要

我们已经调查hemicucurbit [6] uril选择有机溶剂中溶解度和盐碱水解决方案,以及博士使用密度泛函理论的影响,我们计算的摩尔吉布斯自由能hemicucurbit [6] uril在阳离子和阴离子的存在为了更好地理解pH值和盐溶解度的影响。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Solvation and thermal stability of hemicucubit[6]uril

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Solvation and thermal stability of hemicucubit[6]uril

We have investigated hemicucurbit[6]uril solubility in selected organic solvents and saline aqueous solutions, as well as the influence of pH. Using Density Functional Theory, we calculated the molar Gibbs free energy of hemicucurbit[6]uril in the presence of cations and anions to better understand the effect of pH and salts on solubility.

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来源期刊

Journal of Inclusion Phenomena and Macrocyclic Chemistry 化学-化学综合

CiteScore

3.30

自引率

8.70%

发文量

审稿时长

3-8 weeks

期刊介绍： The Journal of Inclusion Phenomena and Macrocyclic Chemistry is the premier interdisciplinary publication reporting on original research into all aspects of host-guest systems. Examples of specific areas of interest are: the preparation and characterization of new hosts and new host-guest systems, especially those involving macrocyclic ligands; crystallographic, spectroscopic, thermodynamic and theoretical studies; applications in chromatography and inclusion polymerization; enzyme modelling; molecular recognition and catalysis by inclusion compounds; intercalates in biological and non-biological systems, cyclodextrin complexes and their applications in the agriculture, flavoring, food and pharmaceutical industries; synthesis, characterization and applications of zeolites. The journal publishes primarily reports of original research and preliminary communications, provided the latter represent a significant advance in the understanding of inclusion science. Critical reviews dealing with recent advances in the field are a periodic feature of the journal.