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While variations in assay protocols, PM size fractions, and normalization units complicate direct cross-study comparisons, our results fall within expected levels for confined, vehicle-influenced microenvironments

cyanidin-3- O -glucoside (C3G), ()-epicatechin (EC), (+)-catechin (CH), and arbutin (ARB inhibitor), were treated for desalting and tautomer generation, retained with specific chirality (vary other chiral centers), and assigned for metal-binding states by Epik at neutral pH for computation of 32 conformations per ligand using the LigPrep module 41

[Abstract]2024 Jun 18:S1742-7061(24)00331-3

Arrillaga-Romany I, Norden AD

doi: 10.1016/j.jneuroim.2021.577765 12 LebrunCKantarciOHSivaAPelletierDOkudaDTRISConsortium

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