Table 15 ∆G values of α, β-fructose and neotame with monovalent cations using B3LYP/D3 basis set in water medium.
Molecule | Li+ ion (kcal mol−1) | Na+ ion (kcal mol−1) | K+ ion (kcal mol−1) | ||||||
|---|---|---|---|---|---|---|---|---|---|
Position 1 | Position 2 | Position 3 | Position 1 | Position 2 | Position 3 | Position 1 | Position 2 | Position 3 | |
α- fructose | −118.59 | −117.97 | −119.85 | −99.77 | −98.52 | −99.77 | −79.69 | −76.56 | 77.18 |
β-fructose | −119.85 | −118.59 | −119.85 | −97.26 | −99.15 | −99.15 | −75.30 | −77.18 | −80.32 |
Neotame | −117.34 | −119.97 | −119.85 | −99.15 | −98.52 | −98.52 | −76.56 | −77.18 | −77.18 |
