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Low-Energy Electron Interaction with Melatonin and Related Compounds
Stanislav A Pshenichnyuk1,2, Alberto Modelli3,4, Derek Jones5
1Institute of Molecule and Crystal Physics, Ufa Research Centre, Russian Academy of Sciences , Prospeκt Oktyabrya 151, 450075 Ufa, Russia.
The Journal of Physical Chemistry. B
|April 11, 2017
Summary
Melatonin and tryptophan undergo electron attachment, forming temporary negative ions. This study reveals melatonin
Area of Science:
- Physical Chemistry
- Biophysics
- Quantum Chemistry
Background:
- Melatonin and tryptophan are crucial biological molecules.
- Understanding their electron interaction is key to biological processes.
Purpose of the Study:
- Investigate electron attachment and fragmentation of melatonin and tryptophan.
- Determine the role of electron affinity in biological systems.
Main Methods:
- Dissociative electron attachment (DEA) spectroscopy in vacuum.
- In silico interpretation using Hartree-Fock and density functional theory calculations.
- Analysis of empty orbital energies, symmetries, and electron affinities.
Main Results:
- Melatonin fragmentation primarily involves H atom or CH3 radical elimination.
- Pyrrole ring opening in melatonin was not observed.
- Adiabatic electron affinity of melatonin predicted at -0.49 eV.
- DEA spectra of l- and d-tryptophan are nearly identical.
Conclusions:
- Electron attachment to melatonin can stimulate H atom donation, relevant to free-radical scavenging.
- The electron affinity suggests melatonin's DEA mechanism is widespread in living organisms.
- Low energy electrons in biological systems may facilitate melatonin's radical scavenging activity.