三唑连接的蒽基修饰杯[4]芳烃衍生物作为 Co(II) 的受体：合成、光谱、显微镜和计算研究。
Triazole-linked anthracenyl-appended calix[4]arene conjugate as receptor for Co(II): synthesis, spectroscopy, microscopy, and computational studies.
机构信息
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India.
出版信息
J Org Chem. 2013 Apr 19;78(8):3570-6. doi: 10.1021/jo400038x. Epub 2013 Mar 29.
A new triazole-linked anthracenyl-appended calix[4]arene-1,3-diconjugate (L) has been synthesized and characterized, and its single crystal XRD structure has been established. Binding properties of L toward different biologically relevant metal ions have been studied by fluorescence and absorption spectroscopy in ethanol. L exhibits selective recognition of Co(2+) and can detect down to a concentration of 55 ppb (0.92 μM). The roles of the calix[4]arene platform as well as the preorganized binding core in L's selective recognition have been demonstrated by studying appropriate control molecules. The mode of binding of L with Co(2+) has been modeled both by DFT and MD computational calculations. L and its Co(2+) complex could be differentiated on the basis of the nanostructural features observed in AFM and TEM.
一种新的三唑连接的蒽基修饰杯[4]芳烃-1,3-二共轭物（L）已经被合成并进行了表征，并建立了其单晶 X 射线衍射结构。通过在乙醇中的荧光和吸收光谱研究了 L 与不同生物相关金属离子的结合性质。L 对 Co(2+)表现出选择性识别，并且可以检测到低至 55 ppb（0.92 μM）的浓度。通过研究适当的对照分子，证明了杯[4]芳烃平台以及预组织的结合核在 L 的选择性识别中的作用。通过 DFT 和 MD 计算计算模拟了 L 与 Co(2+)的结合模式。L 及其 Co(2+)配合物可以根据在 AFM 和 TEM 中观察到的纳米结构特征进行区分。
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