Absolute configutation of chiral molecules with VCD: Determine which enantiomer you synthesized or resolved
Studies on a Type III Atropisomeric Colchicine Analog Enabled through an Intermolecular Oxidopyrylium (5 + 2) Cycloaddition/Reductive Ring-Opening Sequence
Lauren P. Bejcek, Orugbani S. Eli, Anastasiya Lyubimova, Diana M. Kapkayeva, Jordan Nafie, John A. Beutler, Emilio Gallicchio, Dan L. Sackett, Ryan P. Murelli
Chirality: a key parameter in chemical probes
Andrew McGown, Jordan Nafie, Mohammed Otayfah, Storm Hassell-Hart, Graham J. Tizzard, Simon J. Coles, Rebecca Banks, Graham P. Marsh, Hannah J. Maple, George E. Kostakis, Ilaria Proietti Silvestri, Paul Colbon and John Spencer
Over 10,000 molecules and counting!
Over the last 20 years, vibrational circular dichroism (VCD) has become a routine tool for determinations of Absolute Configuration in pharmaceutical industry and academia. VCD offers a novel alternative to X-ray crystallography, permitting AC determinations on neat liquids (including oils) and solution-phase samples. VCD requires no derivatization of the sample or growth of a pure single crystal.
VCD is defined as the differential absorption of a molecules for left versus right circularly polarized infrared (IR) light during a vibrational transition. VCD combines the structural specificity of vibrational IR absorption spectroscopy with the stereo-chemical sensitivity of a chiroptical spectroscopy such as CD (more recently termed electronic CD or ECD for transitions in visible or UV regions).
The absolute stereochemistry is established by comparing the measured VCD spectrum to the results of an ab initio quantum chemistry VCD calculation of the same molecule.
BioTools, not only commercialized VCD spectroscopy, but has been the leader in AC determinations for over 20 years, offering services world-wide.
What molecules can I measure?
Small chiral organic molecules including pharmaceuticals (APIs, DS & DP), natural products, cannabinoids and terpenes
Proteins, peptides, amino acids, sugars, nucleic acids (DNA, RNA), carbohydrates
Chiral polymers
Supermolecular structures including protein fibrils
Transition metal complexes with enhanced VCD for low-lying states
How can I measure Chiral Sample with VCD?
ChirallR-2X™
The #1 selling VCD instrument, and the choice of the pharmaceutical industry and regulatory agencies.
MANTIS
The DualPEM VCD Accessory for structure elucidation of life’s most fascinating molecules – chiral and biologies.
How can I calculate VCD?
Services for Chiral Characterization
Contract Laboratory Service
Our services are performed under GLP and include custom Validation and Testing.
- Absolute Configuration using VCD (measurements, calculations, comparison and assignment)
- Vibrational Circular Dichroism (VCD) measurements or calculations only
- Optical Rotation (OR) measurements and/or calculations
- Circular Dichroism (CD) measurements and/or calculations
- Identify, differentiate and determine structure of diastereoisomers and regio-isomers
- %EE w/ VCD (and if needed chiral chromatography through partnerships)
You can find us
Knowledge Base
WEBINARS:
Upcoming:
September 15, 2022
– Chemistry World (RSC):
Dr. Richard Lewis – Astra Zeneca
VCD: Is your chemistry absolutely right?
On-Demand:
– C&EN (ACS)
Dr. Yanan He – GSK
– Chemistry World (RSC):
Kimberly Yach – AbbVie
Resolving absolute stereochemistry in early drug discovery with VCD