Abstract

AbstractIn this article, quantum chemistry method was applied to study the reaction mechanism of colorimetric sensor array (CSA) and lead during lead content analysis of large yellow croaker. The molecular structure, bingding energy, and charge of pyridine azo compounds and porphyrin compounds before and after reaction with lead was selected as the evaluation index to investigate the ability of CSA sensor to bind with lead. The results showed that PA4 of pyridine azo compounds and P2 of porphyrin compounds were sensitive to lead. After theoretical analysis, a colorimetric sensor array was fabricated for lead detection in large yellow croaker with the selected pyridine azo compounds and porphyrin compounds. For comparison, the lead content in large yellow croaker was also detected by inductively coupled plasma mass spectrometry (ICP‐MS) method. A quantitative model based on support vector regression (SVR) for lead content in large yellow croaker was established. The correlation coefficient of 0.62374 for testing set was obtained. From the result obtained, there is the need to perform further research by selecting other sensitive chromogenic materials so as to achieve higher prediction accuracy.Practical ApplicationsLead exposure can cause physiological and neurological damage to humans. In this study, quantum chemistry method was applied to study the reaction mechanism of colorimetric sensor array and lead. Then a novel colorimetric sensor array was developed for the determination of lead in fish flesh. This method simplified the screening process of chromogenic sensitive materials. The method has potential to be applied to simplify the detection of lead in aquatic products by researchers and relevant detection departments.

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