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     Advance Journal of Food Science and Technology

Research Article   |   OPEN ACCESS

Study on the Property of Colorimetric Sensor Array Binding Volatile Organic Compounds using Density Functional Theory

1, 2Haiyang Gu, 1Yanhui Sun, 2Xingyi Huang and 3Huang Dai
1School of Bio and Food Engineering, Chuzhou University, Chuzhou, 239000, China
2School of Food and Biological Engineering, Jiangsu University, Zhenjiang, 212013, China
3College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou, 310058, China
Advance Journal of Food Science and Technology  2016  1:77-81
http://dx.doi.org/10.19026/ajfst.11.2358  |  © The Author(s) 2016
Received: September ‎14, ‎2015  |  Accepted: October ‎30, ‎2015  |  Published: May 05, 2016
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Abstract

Colorimetric Sensor Array (CSA) has been developed in the application of detection and evaluation of food quality. Theoretical study using Density Functional Theory (DFT) at B3LYP/LANL2DZ level was carried out to investigate the ability of CSA sensor binding Volatile Organic Compounds (VOCs) at molecular level. The binding energy representing the sensitivity of CSA sensor was analyzed. The ability of CSA sensor binding VOCs was classified into three groups by the comparison of binding energy. This study suggests that the theoretical calculation is useful for the optimization of CSA sensor in the further experiment.

Keywords:

Colorimetric sensor array, density functional theory, food quality, ruthenium porphyrin,

References