New discoveries in chemical research and development in 2021. Irreversible inhibitors are therefore the equivalent of poisons in heterogeneous catalysis. 14618-80-5, Name is (R)-2-((Benzyloxy)methyl)oxirane, SMILES is [C@@H]1(COCC2=CC=CC=C2)OC1, in an article , author is Silva Oliveira, Thiago Levi, once mentioned of 14618-80-5, Quality Control of (R)-2-((Benzyloxy)methyl)oxirane.
Hydrocotyle umbellata L. is a groundcover plant that has been used in the folk medicine of Argentina, Brazil, Cuba e India, mainly to reduce inflammatory processes. The lignan, hibalactone, can be isolated from the roots of the plant. In the anti-inflammatory and antioxidant activity of such natural products, it is believed that the mechanism of action involves the butyrolactone ring, which would act as free pharmacophore. In this study, electrochemical, spectrometric and computational chemistry approaches were used to evaluate the lignan antioxidant activity and electro-oxidation pathway. Electrochemical measurements were performed in a 3 mL cell, operated in a three electrode system, consisting in an Ag/AgCl reference electrode, platinum as counter electrode and glassy carbon electrode was used as working electrode. Radical scavenging assays were performed with DPPH and ABTS. In the computational chemistry approach geometry, optimization was performed with semi empirical calculations (PM3) and the orbitals/charges calculations were performed by the extended Huckel method. The voltammetry showed a very slight variation with pH alteration, which can be justified by lactone hydrolysis that occurs in acidic and basic pH. In the HOMO and total charge density distribution it was possible to observe that the higher prevalence was in the benzo[1,3]dioxole rings and in the alkenes/alkanes in proximity with the lactone ring. The hibalactone displayed a single quasi-reversible electro-oxidation. Given the HOMO and charge density distribution in the lignan, more so the single oxidation in the evaluated potential, it is reasonable to infer that the alkene bonded with the lactone ring was a probable site of oxidation.
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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem