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Full article: Reduced glutathione ameliorates sepsis-induced acute kidney injury in mouse model: involvement of cuproptosis
Shain, A
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Conclusions Working with an initial training set of eleven structurally simple phenols, which was later expanded to twenty molecules, direct aqueous pK a calculations (using three acid dissociation equilibria) were perform with of five DFT functionals (M06-2X, B3LYP, BHandHLYP, PBE0, and TPSS), using the 6-311++G(d,p) basis set and the SMD and PCM solvent models
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