An experimental and theoretical investigation of inclusion complexes of Indole Chalcones in cyclodextrin

2018 ◽  
Vol 09 ◽  
Author(s):  
Manju K Saroj
Keyword(s):  
Inclusion Complexes ◽  
Theoretical Investigation

Carotenoids and β-Cyclodextrin Inclusion Complexes: Raman Spectroscopy and Theoretical Investigation

2011 ◽  
Vol 115 (30) ◽  
pp. 8511-8519 ◽  
Author(s):  
Vanessa E. de Oliveira ◽  
Eduardo W. C. Almeida ◽  
Harlem V. Castro ◽  
Howell G. M. Edwards ◽  
Hélio F. Dos Santos ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Inclusion Complexes ◽  
Theoretical Investigation ◽  
Cyclodextrin Inclusion Complexes ◽  
Cyclodextrin Inclusion

Nanodiamonds in sugar rings: an experimental and theoretical investigation of cyclodextrin–nanodiamond inclusion complexes

2012 ◽  
Vol 10 (23) ◽  
pp. 4524 ◽  
Author(s):  
Jens Voskuhl ◽  
Mark Waller ◽  
Sateesh Bandaru ◽  
Boryslav A. Tkachenko ◽  
Carlo Fregonese ◽  
...  
Keyword(s):  
Inclusion Complexes ◽  
Theoretical Investigation

scholarly journals Inclusion Complexation of Benzanilide and Fast Violet B with β-cyclodextrin-A Theoretical Approach

2020 ◽  
pp. 23-28
Author(s):  
A. Antony Muthu Prabhu
Keyword(s):  
Gas Phase ◽  
Aromatic Ring ◽  
Inclusion Complexes ◽  
Theoretical Investigation ◽  
Theoretical Approach ◽  
Inclusion Complexation ◽  
The Other ◽  
Guest Molecules ◽  
Och3 Group ◽  
Structural Assignment

The theoretical investigation of inclusion complexation of amide-imidol tautomer of two guest molecules benzanilide (BA) and fast violet B (FVB) with β-cyclodextrin (β-CD) using DFT B3LYP 3-21G  method in the gas phase. Benzanilide has no substitution in the basic skeleton and the other selected compound substituted with three groups such as –NH2, -CH3 and –OCH3 group in the same aromatic ring. The tautomer  of two selected compounds was formed the stable inclusion complexes with the β-CD supramolecule. The theoretically calculated complexation energy was observed the negative value for all the inclusion complexes. This method was applicable to determine the structural assignment of the inclusion complexes between BA, FVB and β-CD.

Theoretical investigation of molecular calculations on inclusion complexes of plumbagin with β-cyclodextrins

2017 ◽  
Author(s):  
Ornin Srihakulung ◽  
Luckhana Lawtrakul ◽  
Pisanu Toochinda ◽  
Waree Kongprawechnon ◽  
Apichart Intarapanich ◽  
...  
Keyword(s):  
Inclusion Complexes ◽  
Theoretical Investigation ◽  
Molecular Calculations
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