Synthesis, spectroscopic characterizations, TD/DFT calculations, colorimetric metal ions, and molecular docking studies of a novel 3-acetylpyridine 2-hyrdoxyphenyl thiosemicarbazone

• Main Authors: Erna Normaya, ., Nurul Rashidah, Mohamad Helmi, Nurul Amirah, Baharu, Mohd Bijarimi, Mat Piah, Mohammad Norazmi, Ahmad
• Format: Article
• Language: English; English
• Published: Elsevier Ltd 2024
• Subjects: TP Chemical technology
• Online Access: http://umpir.ump.edu.my/id/eprint/42551/1/Synthesis-spectroscopic%20characterizations_ABST.pdf; http://umpir.ump.edu.my/id/eprint/42551/2/Synthesis-spectroscopic%20characterizations.pdf; http://umpir.ump.edu.my/id/eprint/42551/; https://doi.org/10.1016/j.molstruc.2024.138837; https://doi.org/10.1016/j.molstruc.2024.138837

A novel thiosemicarbazone scaffold, namely 3-acetylpyridine-2-hydroxyphenyl thiosemicarbazone (3APHT), which contains π-conjugated heterocyclic and phenyl rings, was successfully synthesized and characterized experimentally and theoretically. Through TD/DFT calculations, it was found that the new co...