Nuclear Spin Spectroscopy: Unraveling the ‘Chirality’ of Molecules Faster
Researchers from the Karlsruhe Institute of Technology (KIT) from Helmholtz Information, and Voxalytic GmbH have developed a new method that, for the first time, allows the direct determination of the chiral structure of a molecule – the exact spatial arrangement of its atoms – using nuclear magnetic resonance (NMR) spectroscopy. This significant step in drug development had previously been a time-consuming process. The new method could now become a standard tool for the chemical and pharmaceutical industries. (Source: Karlsruhe Institute of Technology – Press Releases)
The chirality of a molecule refers to its basic structure: some molecules, known as enantiomers, occur in mirror-image pairs. They differ from one another like a left and right hand. Depending on whether the “twisted” structure of a molecule is left- or right-handed, it can influence its biochemical and chemical reactions. Despite their mirror-image arrangement, the properties of enantiomers can vary or even function oppositely.
This can have fatal consequences for medications. In the 1960s, children in Germany and England were born with physical deformities due to the drug “Contergan” or “Thalidomide.” The medication, given to pregnant women to alleviate pregnancy symptoms, was later banned. Since then, pharmaceutical companies have been required to test whether the often chiral drug compounds can transform into their opposite enantiomers within the human body.
Method Simplifies the Search for Active Substances
A team led by Professor Jan Korvink, Director of the Institute for Microstructure Technology at KIT, in collaboration with Voxalytic GmbH, a spin-off from KIT and the University of Freiburg, has now succeeded in directly measuring the chiral structure of molecules using nuclear magnetic resonance (NMR) spectroscopy.
Although NMR spectroscopy is the only method that can elucidate chemical structures at atomic resolution at room temperature, it had previously been “blind” to the chirality of molecules. To measure the “twists” of a molecule, optical methods are usually employed, which can detect the rotation direction but not at atomic resolution.
“We are very excited about the potential to turn this method into a practical tool for the industry and have patented the concept,” says Jan Korvink. This could make chiral analysis a standard feature of NMR analysis in the future, explains Dr. Sagar Wadhwa of Voxalytic, who completed his PhD on the topic. “This will greatly simplify the work of chemists researching the production of specific enantiomers.” Dr. Dominique Buyens, a biochemist and postdoctoral researcher at KIT, adds, “We will explore the use of this new method in drug development, which could significantly accelerate the search for active substances.”
The KIT team is supported by an ERC Synergy Grant “HiSCORE,” CRC HyPERiON, and the Joint Lab “Virtual Materials Design” in Helmholtz Information.
KIT/A. Karbe, 04.09.2024
Note: The article has been translated from German to English. It is based on a press release from KIT.
The original press release can be found at:
Kernspinspektroskopie: Den „Drehsinn“ von Molekülen schneller aufklären (only in german)
The original publication can be found at (Open Access):
Sagar Wadhwa, Dominique Buyens, and Jan G. Korvink: Direct Chiral Discrimination with NMR. Advanced Materials, 2024. DOI: 10.1002/adma.202408547
Localization in the Helmholtz Information:
Helmholtz Information, Program 3: Materials Systems Engineering, Topic 5: Materials Information Discovery & Joint Lab Virtual Materials Design (VMD)
Contact:
Prof. Dr. Jan G. Korvink
Executive Director at the Institute of Microstructure Technology (IMT)
Karlsruhe Institute of Technology (KIT)
Phone: +49 721 608-22740
E-Mail: jan.korvink@kit.edu
Contact for this press release:
Antje Karbe
Press Officer
Karlsruhe Institute of Technology (KIT)
Phone: +49 721-608-41186
E-Mail: antje.karbe@kit.edu
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