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Published on: June 28, 2024
Intrinsic neutral and anionic structures of glutathione
Yeon Jae Ko1, Haopeng Wang, Xiang Li
1Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA.
Gas-phase structures of neutral and anionic glutathione (GSH) were revealed using spectroscopy and computational methods. The study found these intrinsic structures are non-zwitterionic, differing from solution-phase forms.
Area of Science:
- Biophysical Chemistry
- Computational Chemistry
- Spectroscopy
Background:
- Glutathione (GSH) is a crucial tripeptide antioxidant.
- Understanding GSH's structure is vital for its biological function.
- Gas-phase structures provide insights into intrinsic molecular properties.
Purpose of the Study:
- To determine the gas-phase intrinsic structures of neutral and anionic glutathione.
- To compare gas-phase structures with known solution and crystal structures.
- To elucidate the fundamental structural characteristics of glutathione.
Main Methods:
- Negative ion photoelectron spectroscopy (NIPES) was employed.
- Quantum chemistry calculations were utilized.
- Combined experimental and computational approach for structural determination.
Main Results:
- The intrinsic gas-phase structures of neutral and anionic GSH were determined.
- Inferred structures of neutral GSH parents were canonical (non-zwitterionic).
- Gas-phase structures differ from those observed in aqueous solution or enzyme binding sites.
Conclusions:
- Gas-phase intrinsic structures of GSH are non-zwitterionic.
- Structural differences exist between gas-phase, solution, and crystalline states.
- This study provides fundamental structural data for glutathione.
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