Key role of the high-energy tautomer of carnitine in its reaction with gentisic food acid: DFT study

Using the DFT B3LYP method, it was shown that the high-energy tautomer of carnitine is responsible for the realization of its reaction with 2,5-dihydroxybenzene (gentisic) food acid and that the product of this reaction is the ionic pair formed by a protonated zwitterion of carnitine and a gentisate anion.

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Publication Details

Published
2025-01-01
DOI
https://doi.org/10.46727/c.v1.01-02-03-2025.p132-135
Primary Topic
Crystallography and molecular interactions
Type
article
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article

Key role of the high-energy tautomer of carnitine in its reaction with gentisic food acid: DFT study

M. Yu. Gorbachev
Crystallography and molecular interactions
article

Key role of the high-energy tautomer of carnitine in its reaction with gentisic food acid: DFT study

M. Yu. Gorbachev
article en

Abstract

Using the DFT B3LYP method, it was shown that the high-energy tautomer of carnitine is responsible for the realization of its reaction with 2,5-dihydroxybenzene (gentisic) food acid and that the product of this reaction is the ionic pair formed by a protonated zwitterion of carnitine and a gentisate anion.

Openalex Percentile: Top 77%
Crystallography and molecular interactions
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Key role of the high-energy tautomer of carnitine in its reaction with gentisic food acid: DFT study — M. Yu. Gorbachev · (2025) | TGRS Research Map | TGRS