Metal–organic framework (MOF) catalysts are promising platforms for hydrogen energy systems, enabling CO2 conversion to formic acid (HCOOH), a liquid organic hydrogen carrier (LOHC) for hydrogen storage and release. Density functional theory (DFT) calculations (M06‐2X/6‐31G(d)/LANL2DZ) are performed to investigate CO2...
Pavee Apilardmongkol, Manussada Ratanasak, Sirilak Kongkaew et al.· Journal of Computational Che...· 0 citations
Twenty-four pinostrobin hydrazone derivatives (TN01–TN24) were synthesized through two continuous steps from pinostrobin, hydrazone, and aldehyde derivatives, well characterized and screened for inhibitory activity against yeast α-glucosidase (Saccharomyces cerevisiae). To further expand the chemical space, a QSAR-gu...
The Thanh Ngo, Borwornlak Toopradab, K. Hengphasatporn et al.· ACS Omega· 0 citations
Fluoroacetate dehalogenase (FAcD) is a unique, nonmetal-dependent enzyme capable of cleaving the inert C-F bond of fluoroacetate (FA) under mild conditions, making it an important enzymatic model for organofluorine degradation. This study investigated the catalytic degradation mechanism of FA by FAcD using density func...
Manussada Ratanasak, Yuta Hori, Kohei Sato et al.· Journal of Physical Chemistr...· 0 citations
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