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values ranging 0.23-0.50 mg/mL which were comparable to the control, indicating strong intrinsic bioactivity arose from synergistic component interactions. Furthermore, the DFT analyses B3LYP-D3/6-31+G(d,p) corroborated experimental stability trends, thus revealing deep, cooperative hydrogen-bond networks along with low-energy gradient surfaces, which were consistent with persistent noncovalent interactions in the most stable DESs. Collectively, these outcomes establish clear structure-property-bioactivity relationships and provide mechanistic insights into how compositional tuning governs acidity, stability, and biological potency in DES systems.
Sarfraz et al. (Mon,) studied this question.