{"title":"晶体γ-环糊精金属有机框架纳米容器对苯甲醛的包封及其主客体相互作用","authors":"Ajay Kathuria, Youn Suk Lee, Joongmin Shin, Mohsen Kivy","doi":"10.1007/s10847-022-01158-x","DOIUrl":null,"url":null,"abstract":"<div><p>The nano-porous crystals of γ-cyclodextrin MOF (CDMOF) were synthesized and encapsulated with benzaldehyde. The host–guest interactions between CDMOF and benzaldehyde were analyzed using fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and molecular docking calculations. We observed that around 13% benzaldehyde was adsorbed by the CDMOF crystals, which was supported by TGA, FTIR, DSC and XRD. The preferred inclusion geometry was identified, and the strength of these interactions was recorded. A polar carbonyl group was identified as a docking site which leads to stabilization and complex formation with glucopyranose unit of CDMOF. It was observed that the binding energy for the complex is—4.04 kcal mol<sup>−1</sup>, which indicates that complex formation is thermodynamically favorable.</p></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":null,"pages":null},"PeriodicalIF":2.3000,"publicationDate":"2022-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10847-022-01158-x.pdf","citationCount":"1","resultStr":"{\"title\":\"Crystalline γ-cyclodextrin metal organic framework nano-containers for encapsulation of benzaldehyde and their host–guest interactions\",\"authors\":\"Ajay Kathuria, Youn Suk Lee, Joongmin Shin, Mohsen Kivy\",\"doi\":\"10.1007/s10847-022-01158-x\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The nano-porous crystals of γ-cyclodextrin MOF (CDMOF) were synthesized and encapsulated with benzaldehyde. The host–guest interactions between CDMOF and benzaldehyde were analyzed using fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and molecular docking calculations. We observed that around 13% benzaldehyde was adsorbed by the CDMOF crystals, which was supported by TGA, FTIR, DSC and XRD. The preferred inclusion geometry was identified, and the strength of these interactions was recorded. A polar carbonyl group was identified as a docking site which leads to stabilization and complex formation with glucopyranose unit of CDMOF. It was observed that the binding energy for the complex is—4.04 kcal mol<sup>−1</sup>, which indicates that complex formation is thermodynamically favorable.</p></div>\",\"PeriodicalId\":638,\"journal\":{\"name\":\"Journal of Inclusion Phenomena and Macrocyclic Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2022-08-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1007/s10847-022-01158-x.pdf\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Inclusion Phenomena and Macrocyclic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10847-022-01158-x\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"Agricultural and Biological Sciences\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10847-022-01158-x","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Agricultural and Biological Sciences","Score":null,"Total":0}
Crystalline γ-cyclodextrin metal organic framework nano-containers for encapsulation of benzaldehyde and their host–guest interactions
The nano-porous crystals of γ-cyclodextrin MOF (CDMOF) were synthesized and encapsulated with benzaldehyde. The host–guest interactions between CDMOF and benzaldehyde were analyzed using fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and molecular docking calculations. We observed that around 13% benzaldehyde was adsorbed by the CDMOF crystals, which was supported by TGA, FTIR, DSC and XRD. The preferred inclusion geometry was identified, and the strength of these interactions was recorded. A polar carbonyl group was identified as a docking site which leads to stabilization and complex formation with glucopyranose unit of CDMOF. It was observed that the binding energy for the complex is—4.04 kcal mol−1, which indicates that complex formation is thermodynamically favorable.
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.
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