Publications by authors named "S S Zaric"
Article Synopsis
- - The study examines three types of hydrogen bonds in glycine and water complexes around metal ions, specifically focusing on interactions involving the NH and oxygen groups attached to a metal ion or the α-carbonyl oxygen.
- - Different metal complexes of glycine (like cobalt, nickel, and copper) were analyzed using advanced computational methods to understand the nature and strength of these hydrogen bonds.
- - Results indicate that electrostatic interactions are the strongest attractive force in these complexes, with complex charge having the most significant impact on the energy decomposition of the interactions, while other factors like metal oxidation and atomic number play a lesser role.
Article Synopsis
- * Hydrogen sulfide is a flexible molecule, able to change its bond angle and length with only a minor energy increase, and exhibits a variation in the bond angle (H-S-H) of 15.6° and bond lengths (S-H) of 0.082 Å without affecting the strength of its hydrogen bonds.
- * The analysis
Periodontitis is associated with an increased risk of ischemic stroke, and the risk may be particularly high among young people with unexplained stroke etiology. Thus, we investigated in a case-control study whether periodontitis or recent invasive dental treatments are associated with young-onset cryptogenic ischemic stroke (CIS). We enrolled participants from a multicenter case-control SECRETO study including adults aged 18 to 49 y presenting with an imaging-positive first-ever CIS and stroke-free age- and sex-matched controls.
View Article and Find Full Text PDFNew modes of interaction, antiparallel O-H/O-H interactions of alcohol-alcohol dimers and alcohol-water dimers, were studied by analyzing data in the Cambridge Structural Database (CSD) and by calculating potential energy surfaces at a very accurate quantum chemical CCSD(T)/CBS level. The data reveal the existence of antiparallel interactions in crystal structures and significant interaction energies. Data from the CSD for alcohol-alcohol dimers show 49.
View Article and Find Full Text PDFHydrogen bonds of glycine complexes were calculated using quantum chemistry calculations at M06L-GD3/def2-TZVPP level and by analyzing the crystal structures from the Cambridge Structural Database (CSD). One hydrogen bond where amino acid plays the role of the H-donor (NH/O), and two where it plays the role of the H-acceptor (O1/HO, O1 is a coordinated oxygen atom, and, O2/HO, O2 is a non-coordinated oxygen atom) were investigated. The calculations were done on octahedral nickel(II), square pyramidal copper(II), square planar copper(II), palladium(II), and platinum(II) glycine complexes with different charges adjusted using water(s) and/or chlorine ion(s) as the remaining ligands.
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