Table 12 ∆G values of α, β-fructose and neotame with divalent cations using B3LYP/D3 basis set in gas phase.
Divalent ions | α-fructose | β-fructose | Neotame | ||||||
|---|---|---|---|---|---|---|---|---|---|
Position 1 | Position 2 | Position 3 | Position 1 | Position 2 | Position 3 | Position 1 | Position 2 | Position 3 | |
Mg2+ (kcal mol−1) | −199.74 | −149.15 | −199.74 | −191.39 | −154.99 | −175.08 | −200.30 | −189.38 | −205.76 |
Ca2+ (kcal mol−1) | −140.62 | −105.29 | −140.62 | −118.72 | −157.69 | −125.31 | −141.94 | −139.31 | −170.06 |
Fe2+ (kcal mol−1) | −215.86 | −170.31 | −215.93 | −188.88 | −208.96 | −196.41 | −189.76 | −209.96 | −197.40 |
Zn2+ (kcal mol−1) | −219.00 | −170.06 | −218.94 | −239.71 | −239.71 | −196.41 | −238.70 | −240.82 | −195.48 |
