Publications by authors named "D B Ninkovic"
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
- Two MRI techniques, CSI and DWI, were used to help tell apart cancerous and non-cancerous bone marrow lesions in patients with cancer.
- The study looked at 102 patients and found that cancerous lesions had higher SIR values and lower ADC values compared to benign ones, which helps doctors make better decisions.
- Using both CSI and DWI together made it even easier to tell the difference, reaching a very high level of accuracy in identifying the types of lesions.
We present results for a series of complexes derived from a titanium complex capable of activating C-H bonds under mild conditions (PNP)Ti═CHBu(CHBu), where PNP = N[2-PPr-4-methylphenyl]. In addition to the initial activation of methane, a tautomerization reaction to a terminal methylidene is also explored due to methylidene's potential use as a synthetic starting point. Analogous complexes with other low-cost 3d transition metals were studied, such as scandium, titanium, vanadium, and chromium as both isoelectronic and isocharged complexes.
View Article and Find Full Text PDFAll water-water contacts in the crystal structures from the Cambridge Structural Database with ≤ 4.0 Å have been found. These contacts were analysed on the basis of their geometries and interaction energies from CCSD(T)/CBS calculations.
View Article and Find Full Text PDFAstrocytes are the main homeostatic cells in the central nervous system (CNS) that provide mechanical, metabolic, and trophic support to neurons. Disruption of their physiological role or acquisition of senescence-associated phenotype can contribute to the CNS dysfunction and pathology. However, molecular mechanisms underlying the complex physiology of astrocytes are explored insufficiently.
View Article and Find Full Text PDF