Construction of a QCM sensor for detecting diethylstilbestrol in water based on the computational design of molecularly imprinted polymers
Combining molecular imprinting technology and quartz crystal microbalance (QCM), the diethylstilbestrol-molecularly imprinted polymers (DES-MIPs) were designed. The LC-ωPBE/6-31G(d,p) method was chosen to predict the properties of DES-MIPs in this study. The calculated results showed that the comple...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-04-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S187853522300062X |
| _version_ | 1811159943840006144 |
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| author | Xuhong Cai Junbo Liu Dadong Liang Shanshan Tang Bao Xu |
| author_facet | Xuhong Cai Junbo Liu Dadong Liang Shanshan Tang Bao Xu |
| author_sort | Xuhong Cai |
| collection | DOAJ |
| description | Combining molecular imprinting technology and quartz crystal microbalance (QCM), the diethylstilbestrol-molecularly imprinted polymers (DES-MIPs) were designed. The LC-ωPBE/6-31G(d,p) method was chosen to predict the properties of DES-MIPs in this study. The calculated results showed that the complex formed from DES and methacrylic acid with molar ratio of 1:5 and ethylene dimethacrylate as cross-linking agent had the largest amount of hydrogen bonds, the lowest binding energy, and the optimal stability property. With the guidance of calculations, the DES-MIPs were used to prepare QCM electrode by embedding method to construct the DES-MIPs-QCM sensor. The experimental results displayed that the sensor had a high binding affinity for DES when the DES-MIPs was 15 mg and the coating volume was 10 µL. The minimum detection limit of the sensor for DES was 2.63 ng/mL in the range of 50 to 350 ng/mL. The DES-MIPs-QCM sensor exhibited high recognition capacity for DES compared to its structural analogs. The sensor had been successfully used for the determination of DES in the actual water samples. |
| first_indexed | 2024-04-10T05:49:16Z |
| format | Article |
| id | doaj.art-06fd6632c34541b5b2657fde6a575d1c |
| institution | Directory Open Access Journal |
| issn | 1878-5352 |
| language | English |
| last_indexed | 2024-04-10T05:49:16Z |
| publishDate | 2023-04-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Arabian Journal of Chemistry |
| spelling | doaj.art-06fd6632c34541b5b2657fde6a575d1c2023-03-05T04:23:58ZengElsevierArabian Journal of Chemistry1878-53522023-04-01164104601Construction of a QCM sensor for detecting diethylstilbestrol in water based on the computational design of molecularly imprinted polymersXuhong Cai0Junbo Liu1Dadong Liang2Shanshan Tang3Bao Xu4College of Resource and Environment, Jilin Agricultural University, Changchun, Jilin 130118, ChinaCollege of Resource and Environment, Jilin Agricultural University, Changchun, Jilin 130118, China; Corresponding authors at: College of Resource and Environment, Jilin Agricultural University, Changchun 130118, China (J. Liu).College of Resource and Environment, Jilin Agricultural University, Changchun, Jilin 130118, ChinaCollege of Life, Key Laboratory of Straw Comprehensive Utilization and Black Soil Conservation, The Ministry of Education, Jilin Agricultural University, Changchun, Jilin 130118, China; Corresponding authors at: College of Resource and Environment, Jilin Agricultural University, Changchun 130118, China (J. Liu).Institute of Mathematica, Jilin Normal University, Siping, Jilin 136000, ChinaCombining molecular imprinting technology and quartz crystal microbalance (QCM), the diethylstilbestrol-molecularly imprinted polymers (DES-MIPs) were designed. The LC-ωPBE/6-31G(d,p) method was chosen to predict the properties of DES-MIPs in this study. The calculated results showed that the complex formed from DES and methacrylic acid with molar ratio of 1:5 and ethylene dimethacrylate as cross-linking agent had the largest amount of hydrogen bonds, the lowest binding energy, and the optimal stability property. With the guidance of calculations, the DES-MIPs were used to prepare QCM electrode by embedding method to construct the DES-MIPs-QCM sensor. The experimental results displayed that the sensor had a high binding affinity for DES when the DES-MIPs was 15 mg and the coating volume was 10 µL. The minimum detection limit of the sensor for DES was 2.63 ng/mL in the range of 50 to 350 ng/mL. The DES-MIPs-QCM sensor exhibited high recognition capacity for DES compared to its structural analogs. The sensor had been successfully used for the determination of DES in the actual water samples.http://www.sciencedirect.com/science/article/pii/S187853522300062XDiethylstilbestrolQuartz crystal microbalanceMolecular imprinting polymers |
| spellingShingle | Xuhong Cai Junbo Liu Dadong Liang Shanshan Tang Bao Xu Construction of a QCM sensor for detecting diethylstilbestrol in water based on the computational design of molecularly imprinted polymers Arabian Journal of Chemistry Diethylstilbestrol Quartz crystal microbalance Molecular imprinting polymers |
| title | Construction of a QCM sensor for detecting diethylstilbestrol in water based on the computational design of molecularly imprinted polymers |
| title_full | Construction of a QCM sensor for detecting diethylstilbestrol in water based on the computational design of molecularly imprinted polymers |
| title_fullStr | Construction of a QCM sensor for detecting diethylstilbestrol in water based on the computational design of molecularly imprinted polymers |
| title_full_unstemmed | Construction of a QCM sensor for detecting diethylstilbestrol in water based on the computational design of molecularly imprinted polymers |
| title_short | Construction of a QCM sensor for detecting diethylstilbestrol in water based on the computational design of molecularly imprinted polymers |
| title_sort | construction of a qcm sensor for detecting diethylstilbestrol in water based on the computational design of molecularly imprinted polymers |
| topic | Diethylstilbestrol Quartz crystal microbalance Molecular imprinting polymers |
| url | http://www.sciencedirect.com/science/article/pii/S187853522300062X |
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