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Long-lived states of methylene protons in achiral molecules

Anna Sonnefeld, Aiky Razanahoera, Philippe Pelupessy, Geoffrey Bodenhausen, Kirill Sheberstov

2022Science Advances30 citationsDOIOpen Access PDF

Abstract

In nuclear magnetic resonance (NMR), the lifetimes of long-lived states (LLSs) are exquisitely sensitive to their environment. However, the number of molecules where such states can be excited has hitherto been rather limited. Here, it is shown that LLSs can be readily excited in many common molecules that contain two or more neighboring CH 2 groups. Accessing such LLSs does not require any isotopic enrichment, nor does it require any stereogenic centers to lift the chemical equivalence of CH 2 protons. LLSs were excited in a variety of metabolites, neurotransmitters, vitamins, amino acids, and other molecules. One can excite LLSs in several different molecules simultaneously. In combination with magnetic resonance imaging, LLSs can reveal a contrast upon noncovalent binding of ligands to macromolecules. This suggests new perspectives to achieve high-throughput parallel drug screening by NMR.

Topics & Concepts

Excited stateMoleculeChemistryChemical shiftSmall moleculeMethyleneStereochemistryCrystallographyPhysicsAtomic physicsPhysical chemistryOrganic chemistryBiochemistryAdvanced NMR Techniques and ApplicationsElectron Spin Resonance StudiesAdvanced MRI Techniques and Applications
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