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Density functional theory (DFT)-based Car-Parrinello molecular dynamics (CPMD) simulations describe the time evolution of molecular systems without resorting to a predefined potential energy surface. CPMD and hybrid molecular mechanics/CPMD schemes have re ...
Electrospray ionization mass spectrometry allows a rapid characterization of the adducts formed between three novel anticancer ruthenium(II)-arene PTA compds. and horse heart cytochrome c or hen egg white lysozyme. Specific information on the nature of the ...
Ruthenium-based anticancer chemotherapies are making significant advances in clinical trials. Until recently, the focus has been on coordination complexes, and mechanisms such as "activation by reduction" and "transferrin-targeted delivery" have been propo ...
In an attempt to quantify the extent of geochemical heterogeneity within a restricted and well dated portion of the upper mantle, 27 chromite separates from the 90 My old chromite deposits in the Mayari-Baracoa ophiolite belt in eastern Cuba have been inve ...
Nanoparticles can be stabilized by an ionic liq. polymer (ILP) composed of imidazolium units incorporating a hydrophobic benzyl group. The resulting gold, platinum, and palladium nanoparticles can be efficiently transferred from water to ionic liqs. by exc ...
The question is addressed of whether the triruthenium cluster cation Ru-3(mu(2)-H)(3)(eta(6)C(6)H(6))(eta(6)-C6Me6)(2)(mu(3)-O), 1, is a supramolecular, outer-sphere benzene hydrogenation catalyst or is 1 a precatalyst to well-known Ru(0)(n) catalysis ...
The Mayari-Baracoa ophiolitic belt in eastern Cuba hosts abundant chromite deposits of historical economic importance. Among these deposits, the chemistry of chromite ore is very variable, ranging from high Al (Cr#=0.43-0.55) to high Cr (Cr#=0.60-0.83) com ...
Recently electrically conducting SPM probes were used as read/write sensor of magneto-resistive nanopillars and ferroelectric domains in the development of >1 Tb/inch2 data storage. Since metal coated (platinum (Pt) or Pt/iridium) silicon (Si) probes are n ...
The current work examines the effects of model allochtonous (humic substances) and autochtonous (microbial polysac charides) natural organic matter (NOM) on Pb speciation and bioaccumulation. The results demonstrated that polysaccharides, in particular alg ...
Recently electrically conducting SPM probes were used as read/write sensor of magneto-resistive nanopillars and ferroelectric domains in the development of >1 Tb/inch2 data storage. Since metal coated (platinum (Pt) or Pt/iridium) silicon (Si) probes are n ...
