In the mononuclear title compound, [Ni(CH(3)COO)(2)(C(6)H(6)N(2)O)(2)], the Ni(II) atom is coordinated by two pyridine-2-aldoxime (PaoH) ligands and two acetate groups, with cis coordination for the pairs of identical ligands. While each acetate group binds to the Ni(II) atom by one O atom, each PaoH chelates the Ni(II) atom through two N atoms. The O atom on PaoH is not deprotonated and does n...

> < ABSTRACT: The intramolecular helix backbone C O H— N hydrogen Ž . bonding energies in poly L-alanine a helices have been estimated both in vacuum and in an aqueous environment using the parameter sets of five of the most commonly used force fields for modeling biomolecules, namely AMBER, CHARMM, ECEPP, GROMOS, and OPLS. The relative capabilities of these force fields in describing the H-bon...

A photoinitiator for free-radical polymerization based on a thioxanthone chromophore containing two acetic acid functions was synthesized and characterized. Photophysical studies such as fluorescence, phosphorescence, and laser flash photolysis in addition to photopolymerization of acrylates were performed to elucidate the radical generation mechanism involving intramolecular electron transfer ...

A 13C, 15N-labeled DNA hairpin molecule of the sequence d(GCGAAGC) ) d(G1C2G3A4A5G6C7) was investigated by NMR spectroscopy to determine one-bond and two-bond NMR spin-spin coupling constants 1J(X, H) (X ) C, N), 1J(C, X) (X ) C, N), and 2J(X,H) (X ) C,N). Measured J values for the WatsonCrick (WC) base-pairs G1C7, G6C2, the mismatched base-pair G3A5 and the unpaired base A4 were compared with ...