Table 6 Metal ion affinities (MIA) of α-fructose, β-fructose and neotame with divalent cations using B3LYP/6-311 + G (d, p) basis set (water).
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) | −411.02 | −405.99 | −403.49 | −410.39 | −410.39 | −407.88 | −405.99 | −406.63 | −412.63 |
Ca2+ (kcal mol−1) | −363.96 | −355.79 | −355.79 | −353.29 | −358.94 | −362.70 | −357.05 | −358.31 | −362.07 |
Fe2+ (kcal mol−1) | −421.69 | −426.08 | −421.69 | −422.94 | −433.94 | −428.59 | −423.57 | −424.82 | −414.78 |
Zn2+ (kcal mol−1) | −440.51 | −441.14 | −438.63 | −439.88 | −444.90 | −444.90 | −439.88 | −439.88 | −432.35 |
