Absolute configuration and conformational analysis of sesquiterpene lactone glycoside studied by vibrational circular dichroism spectroscopy

2007 ◽  
Vol 871 (1-3) ◽  
pp. 67-72 ◽  
Author(s):  
Oskar Michalski ◽  
Wanda Kisiel ◽  
Klaudia Michalska ◽  
Vladimir Setnicka ◽  
Marie Urbanova
Keyword(s):  
Circular Dichroism ◽  
Conformational Analysis ◽  
Sesquiterpene Lactone ◽  
Absolute Configuration ◽  
Circular Dichroism Spectroscopy ◽  
Vibrational Circular Dichroism ◽  
Circular Dichroïsm

Enantiopure methoxetamine stereoisomers: chiral resolution, conformational analysis, UV-circular dichroism spectroscopy and electronic circular dichroism

2021 ◽  
Author(s):  
Kun Won Lee ◽  
Ahmed H. E. Hassan ◽  
Youngdo Jeong ◽  
Seolmin Yoon ◽  
Seung-Hwan Kim ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Conformational Analysis ◽  
Absolute Configuration ◽  
Circular Dichroism Spectroscopy ◽  
Chiral Resolution ◽  
Treatment Resistant Depression ◽  
Treatment Resistant ◽  
Electronic Circular Dichroism ◽  
Resistant Depression ◽  
Circular Dichroïsm

Enantioseparation and assignment of absolute configuration of methoxetamine (MXE) enantiopure stereoisomers; a promising novel antidepressant for management of treatment-resistant depression.

scholarly journals Conformational Analysis in Solution of a Chiral Bisoxazoline Molecule: Vibrational Circular Dichroism Spectroscopy and Density Functional Theory Study

2011 ◽  
Vol 2011 ◽  
pp. 1-11
Author(s):  
A. Aamouche ◽  
P. J. Stephens
Keyword(s):  
Density Functional Theory ◽  
Circular Dichroism ◽  
Conformational Analysis ◽  
Density Functional ◽  
Circular Dichroism Spectroscopy ◽  
Vibrational Circular Dichroism ◽  
Kcal Mole ◽  
Functional Theory ◽  
High Degree ◽  
Circular Dichroïsm

The conformations of the chiral bisoxazoline: 2,2′-methylenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole] (also named IndaBOX), have been studied. Density functional theory (DFT) calculations identify four inequivalent stable conformations. Two, I and II have, C2 symmetry; two, III and IV, have C1 symmetry. The electronic energies of I–IV are ordered: I<II<III<IV. The span in energy is <1.0 kcal/mole. Vibrational unpolarised absorption and circular dichroism spectra have been predicted for the four conformations using DFT. Comparison of population-weighted spectra to experimental spectra of CHCl3 and CDCl3 solutions in mid-IR region strongly supports the DFT predictions of the number, structures, and relative energies of the conformations of IndaBOX. This shows that DFT predicts spectra with a high degree of reliability. We will undoubtedly illustrate the advantage added by vibrational circular dichroism spectroscopy in conformational analysis and in the absolute configuration determination.

Structure and Absolute Configuration of Nyasol and Hinokiresinol via Synthesis and Vibrational Circular Dichroism Spectroscopy

2005 ◽  
Vol 68 (11) ◽  
pp. 1603-1609 ◽  
Author(s):  
Peter R. Lassen ◽  
Dorthe Mondrup Skytte ◽  
Lars Hemmingsen ◽  
Simon Feldbæk Nielsen ◽  
Teresa B. Freedman ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Absolute Configuration ◽  
Circular Dichroism Spectroscopy ◽  
Vibrational Circular Dichroism ◽  
Circular Dichroïsm
Sign in / Sign up

Export Citation Format

Share Document