Lohar Somenath, Dhara Koushik, Roy Priya, Sinha Babu Santi P, Chattopadhyay Pabitra
Department of Chemistry, The University of Burdwan, Burdwan 713104, West Bengal, India.
Department of Chemistry, Sambhu Nath College, Labpur, Birbhum 731303, West Bengal, India.
ACS Omega. 2018 Aug 31;3(8):10145-10153. doi: 10.1021/acsomega.8b01035. Epub 2018 Aug 30.
A newly designed cyanide-selective chemosensor based on chromone containing benzothiazole groups [3-(2,3-dihydro-benzothiazol-2-yl)-chromen-4-one (] was synthesized and structurally characterized by physico-chemical, spectroscopic, and single-crystal X-ray diffraction analyses. The compound can detect cyanide anions based on nucleophilic addition as low as 5.76 nM in dimethyl sulfoxide--(2-hydroxyethyl)piperazine-'-ethanesulfonic acid buffer (20 mM, pH 7.4) (v/v = 1:3). The binding mode between receptor and cyanide nucleophile has also been demonstrated by experimental studies using various spectroscopic tools and theoretical studies, and the experimental work has also been verified by characterizing one supporting compound of similar probable structure of the final product formed between and cyanide ion ( compound) by single-crystal X-ray analysis for detailed structural analyses. In theoretical study, density functional theory procedures have been used to calculate the molecular structure and the calculation of the Fukui function for evaluation of the electrophilic properties of each individual acceptor atom. Furthermore, the efficacy of the probe () to detect the distribution of CN ions in living cells has been checked by acquiring the fluorescence image using a confocal microscope. Notably, the paper strips with were prepared, and these could serve as efficient and suitable CN test kits successfully.
合成了一种基于含苯并噻唑基团色酮的新型氰化物选择性化学传感器[3-(2,3-二氢-苯并噻唑-2-基)-色烯-4-酮()]，并通过物理化学、光谱和单晶X射线衍射分析对其结构进行了表征。该化合物在二甲基亚砜-(2-羟乙基)哌嗪-'-乙磺酸缓冲液(20 mM，pH 7.4)(v/v = 1:3)中，基于亲核加成可检测低至5.76 nM的氰根阴离子。还通过使用各种光谱工具的实验研究和理论研究证明了受体与氰根亲核试剂之间的结合模式，并且通过单晶X射线分析表征了与氰根离子形成的最终产物的类似可能结构的一种支持化合物(化合物)进行详细的结构分析，从而验证了实验工作。在理论研究中，采用密度泛函理论程序计算分子结构，并计算福井函数以评估每个单独受体原子的亲电性质。此外，通过使用共聚焦显微镜获取荧光图像，检查了探针()检测活细胞中CN离子分布的功效。值得注意的是，制备了带有 的纸条，这些纸条可以成功地用作高效且合适的CN检测试剂盒。
