{"title":"Supramolecular Pathway Complexity of a Host-Guest System Revealed in the Single-Crystal Structural Snapshots","authors":"Kateryna Kravets, Mykola Kravets, Oksana Danylyuk","doi":"10.1002/asia.70945","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>The host-guest aqueous complexation gives rise to a library of crystal structures of distinct inclusion modes and solvation states, all assembled from <i>p</i>-sulfonato-calix[4]arene as a host and <i>p</i>-amino-benzamidine as a guest. Benefitting from single-crystal X-ray diffraction analysis and microscopic observation, we show that these host-guest structures emerge progressively from kinetically trapped highly solvated assemblies to thermodynamically favored inclusion complexes as a function of time and concentration. The host-guest system is also highly sensitive to solvent composition, as reflected in the alteration of <sup>1</sup>H NMR spectra and crystallization behavior between water-alcohol and purely aqueous solutions. The work illustrates how crystallization can serve as a structural probe of pathway-dependent supramolecular maturation, enabling direct observation of kinetically and thermodynamically accessible assembly states in aqueous host-guest systems.</p>\n </div>","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":"21 16","pages":""},"PeriodicalIF":3.2000,"publicationDate":"2026-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry - An Asian Journal","FirstCategoryId":"1","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/asia.70945","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The host-guest aqueous complexation gives rise to a library of crystal structures of distinct inclusion modes and solvation states, all assembled from p-sulfonato-calix[4]arene as a host and p-amino-benzamidine as a guest. Benefitting from single-crystal X-ray diffraction analysis and microscopic observation, we show that these host-guest structures emerge progressively from kinetically trapped highly solvated assemblies to thermodynamically favored inclusion complexes as a function of time and concentration. The host-guest system is also highly sensitive to solvent composition, as reflected in the alteration of 1H NMR spectra and crystallization behavior between water-alcohol and purely aqueous solutions. The work illustrates how crystallization can serve as a structural probe of pathway-dependent supramolecular maturation, enabling direct observation of kinetically and thermodynamically accessible assembly states in aqueous host-guest systems.
期刊介绍：
Chemistry—An Asian Journal is an international high-impact journal for chemistry in its broadest sense. The journal covers all aspects of chemistry from biochemistry through organic and inorganic chemistry to physical chemistry, including interdisciplinary topics.
Chemistry—An Asian Journal publishes Full Papers, Communications, and Focus Reviews.
A professional editorial team headed by Dr. Theresa Kueckmann and an Editorial Board (headed by Professor Susumu Kitagawa) ensure the highest quality of the peer-review process, the contents and the production of the journal.
Chemistry—An Asian Journal is published on behalf of the Asian Chemical Editorial Society (ACES), an association of numerous Asian chemical societies, and supported by the Gesellschaft Deutscher Chemiker (GDCh, German Chemical Society), ChemPubSoc Europe, and the Federation of Asian Chemical Societies (FACS).
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