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- W950790546 abstract "The structure of dipepide AcMet-Gly was determined by X-ray crystallographic analysis. It possesses monoclinic, space group P21(No. 4), with cell dimensions of a=0.8571(2)nm, b=0.5871(2)nm, c=1.197(3)nm, β=99.290(10)°, V=0.5944(15)nm3, Z=2,μ=2.74cm ^-1. Mononuclear chelates, described as [Pd(X)(S,N,O-AcMet-Gly)]^-, in which Pd(Ⅱ) is coordinated by thioether, deprotonated amide nitrogen, carbonyl oxygen of methionine and X (AcMetGly or other ligands present in aqueous solution or in mobile phase solution), were detected 5 min after mixing AcMet-Gly with [Pd(H2O)4]^2- at room temperature using electrospray ionization masss pectrometry. The geometry of [Pd(H2O)(S,N,O-AcMet-Gly)]^- is optimized at density functional B3LYP/LanL2DZ level. The fused five- and six-membered chelate is responsible for cleavage of Met-Gly bond. This is the first time to provide a direct evidence for Pd(Ⅱ)-mediated cleavage of dioeotides via external solvent attack." @default.
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- W950790546 date "2004-01-01" @default.
- W950790546 modified "2023-09-24" @default.
- W950790546 title "Structure of AcMet-Gly and Its Interaction with Palladium（II） Tetraaqua Complex Studied by Electrospray Mass Spectrometry and Density Functional Theory" @default.
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