Rashidian Mohammad, Fattahi Alireza
Department of Chemistry, Sharif University of Technology, PO Box 11365-9516, Tehran, Iran.
Carbohydr Res. 2009 Jan 5;344(1):127-33. doi: 10.1016/j.carres.2008.09.020. Epub 2008 Sep 26.
We have compared the gas phase thermochemical properties of aspartame (artificial sweetener) and alpha- and beta-glucose. These parameters include metal ion affinities with Li(+)-, Na(+)-, K(+)-, Mg(+2)-, Ca(+2)-, Fe(+2)-, Zn(+2)-ions, and chloride ion affinity by using DFT calculations. For example, for aspartame, the affinity values for the above described metal ions are, respectively, 86.5, 63.2, 44.2, 255.4, 178.4, 235.4, and 300.4, and for beta-glucose are 65.2, 47.3 32.9, 212.9, 140.2, 190.1, and 250.0 kcal mol(-1), respectively. The study shows differences between the intrinsic chemistry of aspartame and glucose.
我们比较了阿斯巴甜（人工甜味剂）与α-葡萄糖和β-葡萄糖的气相热化学性质。这些参数包括通过密度泛函理论计算得出的与锂离子、钠离子、钾离子、镁离子、钙离子、亚铁离子、锌离子的金属离子亲和力，以及氯离子亲和力。例如，对于阿斯巴甜，上述金属离子的亲和力值分别为86.5、63.2、44.2、255.4、178.4、235.4和300.4，而对于β-葡萄糖，其值分别为65.2、47.3、32.9、212.9、140.2、190.1和250.0千卡/摩尔。该研究表明了阿斯巴甜和葡萄糖内在化学性质的差异。
