Osvaldo Yáñez

Synthesis, DFT studies, and molecular docking of novel pyrazole semicarbazones targeting GPb, PPA-II, and DPP-4 enzymes

Abstract Six new phenyl-1 H -pyrazole-carbaldehyde semicarbazone derivatives ( 1 – 6 ) have been synthesized and characterized by FT-IR, NMR ( 1 H and 13 C), and mass spectrometry. NMR analysis indicated that these compounds in DMSO-d 6 exhibit a cisE isomeric form. This evidence...

Planar Tetracoordinate Hydrogen Stabilized Within Alkali Metal–Halogen Frameworks

A D 4h screening of the 25 H©M 4 X 4 − combinations (M = Li–Cs; X = F–At), followed by unbiased global‐minimum searches on the nine vibrationally stable candidates, reveals eight previously unreported planar tetracoordinate hydrogen (ptH) global minima adopting D 4h symmetry, bri...