Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1262, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2022.133080
Keywords
Cyclodextrin; Supramolecular; Self-assembly; Pseudo polyrotaxane
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Funding
- NIGMS under NIH [GM103427]
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This study investigates the inclusion complex of Fast Violet B and cyclodextrins into pseudopolyrotaxane nanorods through supramolecular self-assembly. Experimental results suggest that the formation of the complex is enthalpy-entropy driven process. Various analytical methods confirm the encapsulation of FVB into cyclodextrins nano cavities and reveal the structural changes.
The current work deals with fast violet B (FVB) and cyclodextrins (alpha-CD and beta-CD) inclusion complex into pesudopolyrotaxane nanorod by supramolecular self-assembly. FVB/alpha-CD forms 2:2 from 1:1 and FVB/beta-CD forms 1:2 from 1:1 inclusion complexes, which further self assembled to form nanorod and nano cluster structures. The nanorods formed through step-by-step process after FVB encapsulation into cyclodextrins nano cavities. Wide angle powder X-ray diffraction exposed the crystallinity of the materials, thermal analysis, Fourier Transform Infrared Spectroscopy (FTIR) and Proton Nuclear Magnetic Resonance spectroscopy (H-1 NMR and 2D ROESY) confirmed FVB encapsulation into the CDs cavities. Amido functionality of FVB molecule is twisted when it is encapsulated within alpha-CD and beta-CD cavities. Computational studies further divulge that the complex formation is an enthalpy-entropy driven process. (C) 2022 Elsevier B.V. All rights reserved.
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