Gusain, Anamika published the artcileAntiradical Properties of trans-2-(4-substituted-styryl)-thiophene, Computed Properties of 104-01-8, the main research area is trans substituted styryl thiophene antiradical property fluorescence DFT study; Absorption; Antioxidant ability; Bond dissociation energy; Density functional theory; Fluorescence; Ionization energy; Phenol; Proton affinity; Stilbene; Thiophene.
2-Substituted thiophene compounds with electron donating and electron withdrawing p-Ph substitution were synthesized and studied their radical scavenging properties using DPPH assay and DFT method. It is shown that p-hydroxy and p-amino Ph substituted compound exhibit radical scavenging activity. From DFT and radical scavenging studies, a correlation between IC50 with the bond dissociation enthalpy, proton affinity, ground state dipole moment and optical band gap of compound is found. Compounds 1-3 with electron withdrawing substituent (NO2, CN, Cl) do not show any radical scavenging properties, whereas compounds 6-7 with electron donating substituent (OH, NH2) show antiradical properties. Further, the antiradical activity is reduced drastically by replacing the -OH and -NH2 with methoxy and -N-alkylating group resp. in 6 and 7. The compound with p-hydroxy Ph substitution, exhibits stronger antiradical activity as compared to the p-amino Ph substitution due to smaller O-H bond dissociation energy as compared to the N-H bond. From DPPH and DFT studies, it is suggested that the radical scavenging activity in 2-substituted thiophene is occurred through proton transfer mechanism. The other possible SET, SPLET mechanisms are also corroborated.
Journal of Fluorescence published new progress about Antioxidants. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Computed Properties of 104-01-8.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem