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

被引：0
作者：
Ajay Kathuria
Youn Suk Lee
Joongmin Shin
Mohsen Kivy
机构：
[1] California Polytechnic State University,Industrial Technology and Packaging
[2] Yonsei University,Department of Packaging
[3] California Polytechnic State University,Materials Engineering
来源：
Journal of Inclusion Phenomena and Macrocyclic Chemistry | 2022年 / 102卷
关键词：
Cyclodextrin; Benzaldehyde; CDMOF; Metal Organic Framework; Encapsulation;
D O I：
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中图分类号：
学科分类号：
摘要：
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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页码：781 / 790
页数：9
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共 187 条
  • [1] Farmer EE(2007)Reactive electrophile species Curr. Opin. plant Biol. 10 380-386
  • [2] Davoine C(2011)Relationship of electrophilic stress to aging Free Radic. Biol. Med. 51 1087-1105
  • [3] Zimniak P(2014)Molecular mechanisms of aldehyde toxicity: a chemical perspective Chem. Res. Toxicol. 27 1081-1091
  • [4] LoPachin RM(2018)Activated release of bioactive aldehydes from their precursors embedded in electrspun poly(lactic acid) nonwovens RSC Adv. 8 19930-19938
  • [5] Gavin T(2020)Active food packaging through controlled in situ production and release of hexanal Food Chem: X 5 1-10
  • [6] Jash A(2019)Antibacterial properties of polyphenols: characterization and QSAR (quantitative structure–activity relationship) models Front. Microbiol. 10 1-23
  • [7] Paliyath G(2019)Inclusion of ethanol in a nano-porous, bio-based metal organic framework J. Incl. Phenom. Macrocycl. Chem. 95 91-98
  • [8] Lim L-T(2011)Measurement and estimation of electrophilic reactivity for predictive toxicology Chem. Rev. 111 2562-2596
  • [9] Lehtonen M(2016)Reactions of electrophiles with nucleophilic thiolate sites: relevance to pathophysiological mechanisms and remediation Free Radic. Res. 50 195-205
  • [10] Kekäläinen S(2016)Stabilization of reactive species by supramolecular encapsulation Chem. Soc. Rev. 45 1720-1737
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