Crystalline γ-cyclodextrin metal organic framework nano-containers for encapsulation of benzaldehyde and their host–guest interactions

IF 2.3 4区化学 Q2 Agricultural and Biological Sciences Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2022-08-16 DOI:10.1007/s10847-022-01158-x

Ajay Kathuria, Youn Suk Lee, Joongmin Shin, Mohsen Kivy

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引用次数: 1

Abstract

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.

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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

合成了γ-环糊精MOF (CDMOF)纳米多孔晶体，并用苯甲醛包封。利用傅里叶红外光谱(FTIR)、热重分析(TGA)、差示扫描量热法(DSC)和分子对接计算分析了CDMOF与苯甲醛之间的主客体相互作用。通过TGA、FTIR、DSC和XRD等测试，我们发现CDMOF晶体吸附了约13%的苯甲醛。优选包裹体几何形状，并记录这些相互作用的强度。一个极性羰基被确定为与CDMOF的葡萄糖醛基稳定并形成复合物的对接位点。观察到配合物的结合能为4.04 kcal mol−1，表明配合物的形成在热力学上是有利的。

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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.