AbstractThe ability of hesperidin (HP) to form complexes with five metals; cobalt, nickel, zinc, calcium and magnesium was investigated. The complexation was studied using U.V spectroscopic titration, in methanol as well as aqueous buffer solutions (physiological conditions). Potential complexes were studied by IR and NMR spectroscopy, melting point and their solubility were also evaluated. The...

AbstractThe ability of hesperidin (HP) to form complexes with five metals; cobalt, nickel, zinc, calcium and magnesium was investigated. The complexation was studied using U.V spectroscopic titration, in methanol as well as aqueous buffer solutions (physiological conditions). Potential complexes were studied by IR and NMR spectroscopy, melting point and their solubility were also evaluated. The...

A new approach, MOBILE, is presented that models protein binding-sites including bound ligand molecules as restraints. Initially generated, homology models of the target protein are refined iteratively by including information about bioactive ligands as spatial restraints and optimising the mutual interactions between the ligands and the binding-sites. Thus optimised models can be used for stru...

Native electrospray ionization-mass spectrometry, with gas-phase activation and solution compositions that partially release subcomplexes, can elucidate topologies of macromolecular assemblies. That so much complexity can be preserved in gas-phase assemblies is remarkable, although a long-standing conundrum has been the differences between their gas- and solution-phase decompositions. Collision...

The electronic structure and chemical bonding in donor-acceptor complexes formed by group 13 element adamantane and perfluorinated adamantane derivatives EC9 R'15 (E = B, Al; R' = H, F) with Lewis bases XR3 and XC9 H15 (X = N, P; R= H, CH3 ) have been studied using energy decomposition analysis at the BP86/TZ2P level of theory. Larger stability of complexes with perfluorinated adamantane deriva...

Borazine (B3N3H6) is known as ‘inorganic benzene’ because of a planar B3N3 ring with equivalent B-N distance. The lone pair from N in the ring delocalize to the adjacent p-orbital of B which leads to a conjugated system. Even though metal-benzene complexes have been studied extensively as models for cationπ interactions and organometallic bonding, similar systems with borazine is relatively sca...

The synthesis of a new family of octahedral Ir(III) complexes with dual cyclometalating phosphine chelates, namely: 1-(diphenylphosphino)naphthalene (dpnaH) and isoquinoline (dppiH), is reported. Two series of intermediate complexes, [Ir(dpna)(tht)(2)Cl(2)] (1), [Ir(dpna)(2)(OAc)] (2), [Ir(dppiH)(dppi)Cl(2)] (3) and [Ir(dppi)(2)(OAc)] (4), which can be classified by the coexistence of either a ...