Abstract

Solvothermal treatment of Ba(NO₃)₂ with the rigid tricarboxylic acid linker 4,4′,4″-s-triazine-2,4,6-triyltribenzoic acid (H₃TATB) in a mixture of H₂O and N,N-dimethylformamide (DMF) produces a new three-dimensional porous metal-organic framework having the chemical formula of [Ba(HTATB)-(H₂O)₂](DMF)₄ (I). The complex I has been characterized by powder X-ray diffraction, elemental analysis and single crystal X-ray diffraction (CIF file CCDC no. 1898532). In light of its large inner spaces as well as widely distributed open metal sites, the guest-free I (Ia) has been used as a crystalline vessel for trapping the anticancer drug 5-fluorouracil (5-FU), which has been investigated both experimentally and computationally. Furthermore, MTT assay was employed to evaluate the in vitro cytotoxicity of the carrier 5-FU loaded Ia against the human thyroid cancer cell lines.

中文翻译：

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多孔Ba（II）有机框架中的5-氟尿嘧啶诱捕：药物传递和抗甲状腺癌活性评估。

摘要

在H ₂ O和N的混合物中，用刚性三羧酸连接基4,4'，4''-s-三嗪-2,4,6-三基三苯甲酸（H ₃ TATB）溶剂化处理Ba（NO ₃）₂，N-二甲基甲酰胺（DMF）产生了一种新的三维多孔金属有机骨架，其化学式为[Ba（HTATB）-（H ₂ O）₂ ]（DMF）₄（I）。配合物I的特征在于粉末X射线衍射，元素分析和单晶X射线衍射（CIF文件，CCDC号1898532）。鉴于其宽敞的内部空间以及分布广泛的开放金属场所，无客人I（Ia）已被用作捕集抗癌药物5-氟尿嘧啶（5-FU）的晶体容器，已通过实验和计算方法对其进行了研究。此外，MTT测定法用于评估载有5-FU的Ia的载体对人甲状腺癌细胞系的体外细胞毒性。