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ChemInform Abstract: Determination of the Absolute Configurations of Chiral Molecules Using Vibrational Circular Dichroism (VCD) Spectroscopy

ChemInform, 2008
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Philip J. Stephens   +2 more
openaire   +1 more source

Differentiation of solvatomorphs of active pharmaceutical ingredients (API) by solid-state vibrational circular dichroism (VCD)

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Here, we present the new application of solid-state Vibrational Circular Dichroism (VCD) spectroscopy to differentiate several dutasteride (DS) solvatomorphs - the model active pharmaceutical ingredient (API). Several crystalline DS hydrochloride hydrates solvated with methanol, ethanol, acetonitrile, acetone, and acetic acid were prepared. In contrast
Joanna E. Rode   +2 more
openaire   +2 more sources

An Unexpected Atropisomerically Stable 1,1‐Biphenyl at Ambient Temperature in Solution, Elucidated by Vibrational Circular Dichroism (VCD)

Helvetica Chimica Acta, 2003
AbstractBiphenyls with only two substituents at the ‘peri'‐position normally show rotation about their chiral axis at room temperature. Using vibrational circular dichroism (VCD), we found no evidence for rotation of (P)‐2′‐[(4S)‐4,5‐dihydro‐4‐(1‐methylethyl)oxazol‐2‐yl][1,1′‐biphenyl]‐2‐methanol ((P,S)‐1) in CDCl3 about its chiral axis due to ...
Teresa B. Freedman   +5 more
openaire   +1 more source

Determination of the absolute configuration of the natural product klaivanolide via density functional calculations of vibrational circular dichroism (VCD)

Chirality, 2009
AbstractThe absolute configuration (AC) of the antiprotozoal lactone, Klaivanolide, 1, from Uvaria klaineana, has been determined using Vibrational Circular Dichroism (VCD) spectroscopy. The experimental VCD spectrum of the (+) enantiomer of 1 was measured.
Frank J, Devlin   +2 more
openaire   +2 more sources

Sum rules for the rotational strength of fundamental transitions in vibrational circular dichroism (VCD)

Molecular Physics, 1988
A general sum rule is given for the rotational strength, Rt , in VCD of chiral molecules with the rotational correction included. It is found that Σ Rl (l = 1 to 3N) may be zero only for isotopically chiral molecules as specified below by analogy with the sum rule given by Cuony and Hug in Raman optical activity (ROA).
openaire   +1 more source

Vibrational Circular Dichroism (VCD) Chiral Assignment of Atropisomers: Application to γ-Aminobutyric Acid (GABA) Modulators Designed as Potential Anxiolytic Drugs

Applied Spectroscopy, 2013
Atropisomers exist when axial chirality is present as a result of conformationally restricted rotation around a single bond. The interconversion rate of the individual atropisomers is critical to the assessment of chiral stability of a drug throughout scale-up, development, production, and storage as well as in vivo pharmacokinetics.
Don E, Pivonka, Steven S, Wesolowski
openaire   +2 more sources

Determination of the Atropisomeric Stability and Solution Conformation of Asymmetrically Substituted Biphenyls by Means of Vibrational Circular Dichroism (VCD)

Helvetica Chimica Acta, 2005
Vibrational-circular-dichroism (VCD) studies of the solution conformations of three 2,2′-substituted biphenyls are reported. Biphenyls with only two substituents at the peri-position normally show rotation about their central axis of chirality at room temperature in solution.
Teresa B. Freedman   +5 more
openaire   +1 more source

Fourier transform vibrational circular dichroism from 800 to 10,000cm−1: Near-IR-VCD spectral standards for terpenes and related molecules

Vibrational Spectroscopy, 2006
Abstract Near-infrared (near-IR) and mid-infrared (mid-IR) vibrational circular dichroism (VCD) spectra in the region 800–10,000 cm−1 were recorded for nine enantiomeric pairs (or enantiomer and racemate pairs) of molecules with three ChiralIR Fourier transform (FT) VCD spectrometers equipped with various light sources and detectors and modified for ...
Changning Guo   +5 more
openaire   +1 more source

Determination of a Low-Level Percent Enantiomer of a Compound with No Ultraviolet Chromophore Using Vibrational Circular Dichroism (VCD): Enantiomeric Purity by VCD of a Compound with Three Chiral Centers

Applied Spectroscopy, 2014
The chiral configuration of three of the four chiral centers in the investigational drug MLN4924 is locked by an intermediate (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentanol (designated as INT1a). The intermediate INT1a is a key component to the molecule, but its multiple chiral centers and lack of chromophore make it challenging to analyze for ...
Laila, Kott   +4 more
openaire   +2 more sources

Determination of the absolute configurations of isotopically chiral molecules using vibrational circular dichroism (VCD) spectroscopy: the isotopically chiral sulfoxide, perdeuteriophenyl-phenyl-sulfoxide

Tetrahedron: Asymmetry, 2008
Abstract The (+) and (−) enantiomers of the isotopically chiral sulfoxide, perdeuteriophenyl-phenyl-sulfoxide, 1 , have been synthesized by the reaction of the diastereomers of O -menthyl benzenesulfinate with C 6 D 5 MgBr. Their absolute configurations have been determined by comparison of the vibrational circular dichroism (VCD) spectra of ( R )-
Józef Drabowicz   +5 more
openaire   +1 more source

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