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Modeling a Reaction Section of a Commercial Continuous Catalytic Reformer
(American Chemical Society (ACS), 2018)
Continuous catalytic reforming (CCR) is known to convert refinery naphtha to a high-octane liquid product, also known as the reformate. In this paper, a First Principle Reaction Section Model for a CCR process is presented. ...
Modeling the hydrogen sulfide binding to heme
(Elsevier Science Inc, New York, 2018)
The binding of hydrogen sulfide to a model heme compound is investigated by coupled-cluster singles-doubles augmented by a perturbative triple excitations, CCSD(T), and density functional theory, DFT. The minimum energy ...
Characterization and electrochemical properties of organomodified and corresponding derived carbonized clay
(Oxford : Pergamon-Elsevier Science Ltd, 2019)
Series of alkylammonium modified smectites with different alkylammoinum/clay ratios was synthesized (H series). The obtained organoclays were used as precursors for carbon-clay composite materials (C series). Both set of ...
Integer quantum Hall effect in single-layer graphene with tilted magnetic field
(Amer Inst Physics, Melville, 2013)
Analytical expression for the Hall conductivity sigma(yx) in graphene is derived in more general case, in which magnetic field is not perpendicular to the plane of the sample. The derivations were carried out using ...
Ru layers electrodeposited onto highly stable Ti2AlC substrates as cathodes for hydrogen evolution in sulfuric acid solutions
(Elsevier, 2016)
In this work, the hydrogen evolution reaction (HER) was studied on Ru coated Ti2AlC electrodes in 1.0 mol dm(-3) H2SO4 at 25 degrees C. Ti2AlC was found to be a highly stable substrate in sulfuric acid solutions due to the ...
Design and photocatalytic ability of ordered mesoporous TiO2 thin films
(Oxford : Pergamon-Elsevier Science Ltd, 2014)
Homogeneous and crack-free TiO2 films with templated mesoporosity were prepared by the dip coating technique using an evaporation-induced, self-assembly method. The synthesized mesoporous TiO2 films were characterized using ...
Multivariate assessment of lipophilicity scales-computational and reversed phase thin-layer chromatographic indices
(Elsevier, 2016)
Needs for fast, yet reliable means of assessing the lipophilicities of diverse compounds resulted in the development of various in silico and chromatographic approaches that are faster, cheaper, and greener compared to the ...
Correlation study of retention data and antimalarial activity of 1,2,4,5-mixed tetraoxanes with their molecular structure descriptors and LSER parameters
(Elsevier, 2014)
The chromatographic behavior of mixed 1,2,4,5-tetraoxanes, cholic and deoxycholic acid derivatives with distinct biological activity, was examined by high-performance thin-layer chromatography in order to correlate their ...
Bioconjugate of Lysozyme and the Antibacterial Marine Sesquiterpene Quinone Avarone and Its Derivatives
(American Chemical Society (ACS), 2012)
A conjugate of lysozyme with avarone, a bioactive sesquiterpene quinone of marine origin, and its three derivatives were synthesized. MALDI TOF mass spectral analysis and tryptic digestion showed that the only residue in ...
Novel Aminoquinoline Derivatives Significantly Reduce Parasite Load in Leishmania infantum Infected Mice
(American Chemical Society (ACS), 2018)
In this Letter, a detailed analysis of 30 4-aminoquinoline-based compounds with regard to their potential as antileishmanial drugs has been carried out. Ten compounds demonstrated IC50 LT 1 mu M against promastigote ...