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NMR investigation of dihydrodehydrodiconiferyl alcohol and thermodynamic DFT analysis of its antioxidant activity
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DOI：10.1016/j.molliq.2026.129640.png)
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Abstract
En 中文
• The most stable conformation of DDDC and its electronic properties were predicted. • The NMR spectra of the DDDC molecule were investigated theoretically in various solvents. • Critical thermodynamic descriptors of DDDC were computed in solvent environments. • The thermodynamically favored radical scavenging mechanism was determined. • Ancillary pharmacological properties of the compound were evaluated.
Keywords:
Dihydrodehydrodiconiferyl alcohol
NMR spectroscopy
DFT calculations
antioxidant activity
thermodynamic descriptors
Journal
IF:
5.2
Papers:
2.5W
Citations:
9.0W
Organization
Cited Papers