Results 21 to 30 of about 2,440 (209)

Tackling Stereochemistry in Drug Molecules with Vibrational Optical Activity

open access: yesPharmaceuticals, 2021
Chirality plays a crucial role in drug discovery and development. As a result, a significant number of commercially available drugs are structurally dissymmetric and enantiomerically pure. The determination of the exact 3D structure of drug candidates is,
Jonathan Bogaerts   +5 more
doaj   +1 more source

Elucidating the structure of chiral molecules by using amplified vibrational circular dichroism: from theory to experimental realization [PDF]

open access: yes, 2015
Recent experimental observations of enhanced vibrational circular dichroism (VCD) in molecular systems with low-lying electronically excited states suggest interesting new applications of VCD spectroscopy.
Buma, Wybren Jan   +3 more
core   +1 more source

Vibrational circular dichroism spectroscopy as a probe for the detection of collagen fibril and fibrillation in solution

open access: yesBiosensors and Bioelectronics: X, 2022
The detection of collagen fibrils and fibrillation is crucial for tissue regeneration, biomedical applications of collagen, and for studying the interaction of small molecules with the collagen fibrils in the development of therapeutics for collagen ...
Smriti Mukherjee   +3 more
doaj   +1 more source

Chiroptical studies on brevianamide B : vibrational and electronic circular dichroism confronted [PDF]

open access: yes, 2015
Chiroptical spectroscopy, such as electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) are highly sensitive techniques to probe molecular conformation, configuration, solvation and aggregation.
Bultinck, Patrick   +7 more
core   +2 more sources

Time-Resolved Chiral Vibrational Spectroscopy

open access: yesCHIMIA, 2009
Advances in infrared laser technology and detection sensitivity have made time-resolved chiral vibrational spectroscopy experimentally feasible. Here we describe our recent efforts in detecting, for the first time, transient vibrational circular
Jan Helbing, Mathias Bonmarin
doaj   +1 more source

Chirality and the origin of atmospheric humic-like substances [PDF]

open access: yes, 2010
Aerosol water extracts and atmospheric humic-like substances (HULIS) obtained from PM2.5-fraction aerosol samples collected in a rural/continental background environment and in an urban environment in spring and summer, and at a tropical site that was ...
Maenhaut, Willy   +4 more
core   +3 more sources

Instrumentation for Vibrational Circular Dichroism Spectroscopy: Method Comparison and Newer Developments

open access: yesMolecules, 2018
Vibrational circular dichroism (VCD) is a widely used standard method for determination of absolute stereochemistry, and somewhat less so for biomolecule characterization and following dynamic processes.
Timothy A. Keiderling
doaj   +1 more source

Comparative study of the vibrational optical activity techniques in structure elucidation : the case of galantamine [PDF]

open access: yes, 2019
The absolute configuration of the alkaloid galantamine was studied using a range of solution-state techniques; nuclear magnetic resonance (NMR), vibrational circular dichroism (VCD), and Raman optical activity (ROA). While the combined use of NMR and VCD
Bultinck, Patrick   +4 more
core   +2 more sources

Evaluation of Molecular Polarizability and of Intensity Carrying Modes Contributions in Circular Dichroism Spectroscopies

open access: yesApplied Sciences, 2019
We re-examine the theory of electronic and vibrational circular dichroism spectroscopy in terms of the formalism of frequency-dependent molecular polarizabilities.
Chiara Zanchi   +5 more
doaj   +1 more source

Enantiomeric characterization and structure elucidation of Otamixaban

open access: yesJournal of Pharmaceutical Analysis, 2014
Otamixaban is a potent (Ki=0.5 nM) fXa inhibitor currently in late-stage clinical development at Sanofi for the management of acute coronary syndrome.
Jian Shen   +12 more
doaj   +1 more source

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