Theoretical and Experimental Approach Towards P-Cyano Stilbene Schiff Base as a Potential Linker in E-DNA Sensor
Theoretical and Experimental Approach Towards P-Cyano Stilbene Schiff Base as a Potential Linker in E-DNA Sensor
复制标题
对氰基二苯乙烯席夫碱作为 E-DNA 传感器中潜在连接剂的理论和实验方法
DOI：
10.1088/1757-899x/374/1/012086
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发表时间：
2018
期刊：
影响因子：
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通讯作者：
K. H. Ku Bulat
中科院分区：
文献类型：
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作者：
H. M. Yusoff;N. Hassan;K. H. Ku Bulat
本研究旨在合成和表征几种对氰基二苯乙烯席夫碱分子作为电化学DNA传感器的潜在连接体。希夫碱反应是以乙醇为溶剂，伯胺与醛在79 °C下发生缩合反应形成的。用傅里叶变换红外光谱仪（FTIR）和紫外可见分光光度计对所有化合物进行了表征。对于计算研究，使用GaussView 5.0构建结构图。采用密度泛函理论（DFT）在bB 3LYP/6 31 G上进行了几何优化，并使用Gaussian 09软件进行了优化. FTIR显示在2224 cm-1处形成了C = N伸缩振动，在1604 cm-1和1249 cm-1处也有另一个重要的伸缩振动，分别代表C=N和C-O模式。在UV-vis中，可以在363 nm的峰范围处观察到C=N（亚胺）基团的吸收，并且可以在238 nm处观察到芳香族C=C的跃迁。理论和实验结果是可比的，并成功地合成了对氰基二苯乙烯席夫碱化合物，可进一步应用于E-DNA传感器的连接。
This research aim to synthesis and characterize several p-cyano stilbene Schiff base molecules as a potential linker in electrochemical DNA sensor. Schiff base reaction is form from condensation reaction between primary amine and aldehyde at 79 °C using ethanol as solvent. All compounds are investigated and discussed by Fourier transform-infrared spectrometer (FTIR) and Uv-vis spectrophotometer. For computational study, structure drawings were constructed using GaussView 5.0. Geometry optimization has been carried out using density functional theory (DFT) at bB3LYP/6 31G and performed using Gaussian09 software. FTIR showed formation of C≡N stretching vibrations at 2224 cm-1 also another important stretching at 1604 cm-1 and 1249 cm-1 which represent C=N and C-O mode respectively. In UV-vis, absorbance of C=N (imine) group can be observed at peak range 363 nm and transition of aromatic C=C can be seen at 238 nm. Theoretical and experimental results obtained are comparable and p-cyano stilbene Schiff base compounds were successfully synthesised and can be further applied as a linker in E-DNA sensor.