Ovarian cancer (OC) is most common type of gynecologic cancer and is frequently lethal. It is important to determine the pathologic mechanisms underlying OC. ZNF93 is a member of the zinc finger protein family.
View Article and Find Full Text PDFThe mechanism of the Ni -catalyzed reductive carboxylation reaction of C(sp )-O and C(sp )-O bonds in aromatic esters with CO to access valuable carboxylic acids was comprehensively studied by using DFT calculations. Computational results revealed that this transformation was composed of several key steps: C-O bond cleavage, reductive elimination, and/or CO insertion. Of these steps, C-O bond cleavage was found to be rate-determining, and it occurred through either oxidative addition to form a Ni intermediate, or a radical pathway that involved a bimetallic species to generate two Ni species through homolytic dissociation of the C-O bond.
View Article and Find Full Text PDFDensity functional theory calculations were performed in order to reveal the mysterious catalytic step of the biosynthesis of estrogens. The results indicated two reactive oxidants, ferric-peroxo and ferryl-oxo (compound I) species, to participate in the conversion of androgens to estrogens. The ferric-peroxo species was determined, according to our derived mechanism, to act in the oxidation of 19-OH androgen to yield the 19,19--diol intermediate and generate the ferryl-oxo (compound I) species.
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