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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 ...
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 ...
Formation of needle-like and honeycomb-like magnesium oxide/hydroxide structures by electrodeposition from magnesium nitrate melts
(Oxford : Pergamon-Elsevier Science Ltd, 2018)
The processes of electrochemical deposition of magnesium oxide/hydroxide on glassy carbon (GC) electrode from magnesium nitrate hexahydrate melt have been investigated. A novel procedure predicting a possibility of direct ...
Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area
(American Chemical Society (ACS), 2018)
Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen ...
Edible blend films of pectin and poly(ethylene glycol): Preparation and physico-chemical evaluation
(Elsevier, 2018)
The aim of this study was the development of novel polysaccharide based films intended to be used as edible food packaging material. The films were prepared by solution casting method using highly methoxylated pectin (PEC) ...
CdS particles modified TiO2 coatings formed by plasma electrolytic oxidation with enhanced photocatalytic activity
(Elsevier, 2018)
CdS particles modified anatase TiO2 photocatalysts were formed on titanium substrate by plasma electrolytic oxidation for 2 min in supporting electrolyte (10 g/L Na-3 center dot PO4 center dot 12H(2)O) with addition of CdS ...
Biocompatible microemulsions for improved dermal delivery of sertaconazole nitrate: Phase behavior study and microstructure influence on drug biopharamaceutical properties
(Elsevier, 2018)
The aim of this study was development of biocompatible topical microemulsions (MEs) for incorporation and improved dermal delivery of sertaconazole nitrate (SN). For this purpose, phase behavior and microstructure of ...
Methanol oxidation on Ru/Pd(poly) in alkaline solution
(Elsevier, 2018)
Polycrystalline Pd electrode, Pd(poly), is modified by Ru nanoislands using spontaneous deposition method. Coverage of Pd(poly) electrode with the deposited Ru are approx. 20, 30 and 50% as estimated from phase atomic force ...
Dissociative electron attachment and electronic excitation in Fe(CO)5
(Royal Soc Chemistry, Cambridge, 2018)
In a combined experimental and theoretical study we characterize dissociative electron attachment (DEA) to, and electronically excited states of, Fe(CO)(5). Both are relevant for electron-induced degradation of Fe(CO)(5). ...