Structural, optimization of and mechanistic insights into a new thiosemicarbazone derivative as a highly sensitive and selective chemosensor for Hg2+ recognition using DFT, COSMO-RS, RSM, and molecular dynamics simulation approaches
A new thiosemicarbazone derivative, N-(2-hydroxyphenyl)-2-[1-(pyridin-4-yl)ethylidene]hydrazinecarbothioamide (HPEH), has been synthesized, characterized, and further developed as a highly selective and sensitive colorimetric chemosensor for Hg2+ recognition in environmental water samples. Structura...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English English |
| Published: |
Elsevier
2023
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| Subjects: | |
| Online Access: | http://irep.iium.edu.my/106896/7/106896_Structural%2C%20optimization%20of%20and%20mechanistic.pdf http://irep.iium.edu.my/106896/13/106896_Structural%2C%20optimization%20of%20and%20mechanistic_Scopus.pdf http://irep.iium.edu.my/106896/ https://www.sciencedirect.com/science/article/abs/pii/S1386142523010259?via%3Dihub https://doi.org/10.1016/j.saa.2023.123340 |
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http://irep.iium.edu.my/106896/7/106896_Structural%2C%20optimization%20of%20and%20mechanistic.pdfhttp://irep.iium.edu.my/106896/13/106896_Structural%2C%20optimization%20of%20and%20mechanistic_Scopus.pdf
http://irep.iium.edu.my/106896/
https://www.sciencedirect.com/science/article/abs/pii/S1386142523010259?via%3Dihub
https://doi.org/10.1016/j.saa.2023.123340