Fluorescence and Piezoresistive Cantilever Sensing of Trinitrotoluene by an Upper-Rim Tetrabenzimidazole Conjugate of Calix[4]arene and Delineation of the Features of the Complex by Molecular Dynamics

被引:62
作者
Kandpal, Manoj [1 ]
Bandela, Anil Kumar [2 ]
Hinge, Vijaya Kumar [3 ]
Rao, V. Ramgopal [1 ]
Rao, Chebrolu Pulla [2 ,3 ]
机构
[1] Indian Inst Technol, Dept Elect Engn, Ctr Excellence Nanoelect, Bombay 400076, Maharashtra, India
[2] Indian Inst Technol, Dept Chem, Bioinorgan Lab, Bombay 400076, Maharashtra, India
[3] Indian Inst Technol, Dept Biosci & Bioengn, Bombay 400076, Maharashtra, India
关键词
upper-rim benzimidazole conjugate of calix[4]arene; fluorescence quenching; molecular dynamics; SU-8/CB cantilever; selective sensing of TNT; EXPLOSIVES; POLYMERS; SENSORS; BINDING; DESIGN;
D O I
10.1021/am404356v
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
A new benzimidazole-functionalized calix[4]arene receptor (R) was synthesized and characterized. The receptor R shows better selectivity toward trinitrotoluene (TNT) compared to the other nitro explosives in solution, which also retains its effectiveness for solid-phase detection. The chemical interactions of the molecule with different nitro explosive analytes were studied by fluorescence spectroscopy and by a molecular dynamics approach. The molecular dynamics studies show a 1:3 complex between R and TNT, and hence high sensitivity was imparted by fluorescence studies. The detection of explosive vapors in ambient conditions was tested by using a sensitive coating layer of R on an SU-8/CB-based piezoresistive cantilever surface. The developed device showed large sensitivity toward TNT compared to cyclotrimethylenetrinitramine (RDX) and pentaerythritol tetranitrate (PETN) in the solid state at their respective vapor pressures at room temperature. The detection sensitivity of the device was estimated to be 35 mV for TNT at ambient conditions. Moreover, the sensor does not show a response when exposed to humidity. These results demonstrate that R can be used as one of the coating materials for a cantilever for the detection of TNT using piezo resistivity measurement. R can also detect the explosives in solution with high sensitivity and selectivity by fluorescence spectroscopy.
引用
收藏
页码:13448 / 13456
页数:9
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