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A theoretical and experimental study of calcium iron zinc cadmium and sodium ions absorption by aspartame

机译:阿斯巴甜吸收钙铁锌镉和钠离子的理论和实验研究

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摘要

Aspartame (L-Aspartyl-L-phenylalanine methyl ester) is a sweet dipeptide used in some foods and beverages. Experimental studies show that aspartame causes osteoporosis and some illnesses, which are similar to those of copper and calcium deficiency. This raises the issue that aspartame in food may interact with cations and excrete them from the body. This study aimed to study aspartame interaction with calcium, zinc, iron, sodium, and cadmium ions via molecular dynamics simulation (MD) and spectroscopy. Following a 480-ns molecular dynamics simulation, it became clear that the aspartame is able to sequester Fe2+, Ca2+, Cd2+, and Zn2+ ions for a long time. Complexation led to increasing UV–Vis absorption spectra and emission spectra of the complexes. This study suggests a potential risk of cationic absorption of aspartame. This study suggests that purification of cadmium-polluted water by aspartame needs a more general risk assessment.
机译:阿斯巴甜(L-天冬氨酰-L-苯丙氨酸甲酯)是一种甜二肽,用于某些食品和饮料。实验研究表明,阿斯巴甜会引起骨质疏松症和某些疾病,类似于铜和钙缺乏症。这就提出了一个问题,即食物中的阿斯巴甜可能与阳离子相互作用并从体内排出。这项研究旨在通过分子动力学模拟(MD)和光谱法研究阿斯巴甜与钙,锌,铁,钠和镉离子的相互作用。经过480 ns的分子动力学模拟,很明显阿斯巴甜能够隔离Fe 2 + ,Ca 2 + ,Cd 2 + 和Zn 2 + 离子很长一段时间。络合导致络合物的UV-Vis吸收光谱和发射光谱增加。这项研究表明阳离子吸收阿斯巴甜的潜在风险。这项研究表明,阿斯巴甜净化镉污染的水需要进行更一般的风险评估。

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