在水溶液和固态中与Cu ((II) 结合的色卡明:使用NMR,FTIR和UV/Vis光谱和DFT计算进行完整的结构特征:
Sofia Braz1,2, Licínia L G Justino1, M Luísa Ramos1
1CQC-IMS, Department of Chemistry, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal.
红色卡明 (IC) 是一种食品染料,在人体中与铜 (II) 形成稳定的复合物. 了解这些相互作用对于评估食品染料至关重要.
科学领域:
- 食品化学 食品化学
- 协调化学 协调化学
- 毒理学 毒理学 毒理学
背景情况:
- 红色卡明 (IC) 被广泛用作蓝色食品染料,特别是在儿童产品中.
- IC作为连接体的潜力引起了人们对其与人体中必需的金属离子 (如铜) 的相互作用的担忧.
- 了解这些相互作用对于评估IC消费的安全性和生理影响至关重要.
研究的目的:
- 为了研究铜的复杂化 (II) 与红色卡明在水溶液和固态中.
- 描述形成的铜 (II) /红色卡尔明复合物的结构和固态度.
- 提供有关印花的毒性和生理影响的相关数据.
主要方法:
- 使用光谱方法 (NMR,UV/Vis吸收,FTIR) 来进行复杂的表征.
- 密度函数理论 (DFT) 和时间依赖DFT (TD-DFT) 计算用于结构分析.
- 能量分散光谱 (EDS) 数据补充了固态分析.
主要成果:
- 光谱学研究证实了铜 (II) 和红色卡尔米因之间存在强烈的复杂性.
- 在水溶液 (pH 6-10) 中确定了1: 1,1: 2,和2:1 Cu(II) / IC固体测量复合物.
- DFT计算揭示了通过碳基和氨基团的协调,具有多种几何形状 (扭曲四面体,方形金字塔形状).
- 固态分析表明,聚合物结构涉及重复的1:2复杂单元.
结论:
- 铜 (II) 在生理pH值下与红色卡明形成稳定的复合物.
- 该研究为这些复杂物提供了详细的结构洞察力,这与毒理学评估有关.
- 这些发现强调了了解IC-金属离子相互作用的重要性,特别是在幼儿等高暴露群体中.
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