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Catalysis of oxygen reduction on electrochemically activated polycrystalline gold by Pd nanoislands in alkaline solution
(Elsevier, 2017)
Catalytic properties of electrochemically activated polycrystalline gold, Au(poly), modified by spontaneously deposited palladium nanoislands with the coverage below a monolayer were examined for the oxygen reduction ...
Magnetic and electric control of spin- and valley-polarized transport across tunnel junctions on monolayer WSe2
(Amer Physical Soc, College Pk, 2017)
The recent experimental realization of high-quality WSe2 leads to the possibility of an efficient manipulation of its spin and valley degrees of freedom. Its electronic properties comprise a huge spin-orbit coupling, a ...
Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules
(Wiley, Hoboken, 2017)
Density Functional Tight Binding (DFTB) models are two to three orders of magnitude faster than ab initio and Density Functional Theory (DFT) methods and therefore are particularly attractive in applications to large ...
Tunable invisibility cloaking by using isolated graphene-coated nanowires and dimers
(England : Nature Publishing Group, 2017)
We investigate, both theoretically and numerically, a graphene-coated nano-cylinder illuminated by a plane electromagnetic wave in the far-infrared range of frequencies. We have derived an analytical formula that enables ...
The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2
(Royal Soc Chemistry, Cambridge, 2017)
Iron-dependent enzymes and biomimetic iron complexes can catalyze the ring cleavage of very inert, aromatic compounds. The mechanisms of these transformations and the factors that lead either to extradiol cleavage or ...
Brachybacterium sp CH-KOV3 isolated from an oil-polluted environment-a new producer of levan
(Elsevier, 2017)
Various microorganisms isolated from polluted environments, such as Pseudomonas sp. and Micrococcus sp. can synthesize exopolysaccharides (EPSs) which are natural, non-toxic and biodegradable polymers. EPSs play a key role ...
Maximally Flat-Frequency-Response Multiple-Resonator-Based Harmonic Analysis
(Ieee-Inst Electrical Electronics Engineers Inc, Piscataway, 2017)
This paper presents an improved approach to the recently proposed multiple-resonator-based method for the harmonic analysis that has been provided in the previous papers. Previously, two inherent particular cases have been ...
Biocompatibility Investigation of New Endodontic Materials Based on Nanosynthesized Calcium Silicates Combined with Different Radiopacifiers
(Elsevier Science Inc, New York, 2017)
Introduction: The aim of this article was to analyze biocompatibility and bioactivity of new endodontic materials on the basis of nanosynthesized calcium silicates (ALBO-MPCA(1) and ALBO-MPCA(2)) combined with different ...
Individual effects of different selenocompounds on the hepatic proteome and energy metabolism of mice
(Elsevier, 2017)
Background: Selenium (Se) exerts its biological activity largely via selenoproteins, which are key enzymes for maintaining the cellular redox homeostasis. However, besides these beneficial effects there is also evidence ...
Density functional theory modeling of C-Au chemical bond formation in gold implanted polyethylene
(Royal Soc Chemistry, Cambridge, 2017)
We have studied processes of gold ion implantation in polyethylene (PE) by theoretical chemistry methods. Car-Parrinello molecular dynamics (CPMD) simulations of collisions and following chemical kinetics considerations ...