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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 ...
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 ...
Complex investigation of charge storage behavior of microporous carbon synthesized by zeolite template
(Elsevier, 2016)
Microporous zeolite templated carbon (ZTC) was synthesized by impregnation method using zeolite Y (Na-form) as a template, and furfuryl alcohol as a carbon precursor. The characterization was carried out by X-ray diffractometry, ...
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 ...
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 ...
Long-Chain 4-Aminoquinolines as Quorum Sensing Inhibitors in Serratia marcescens and Pseudomonas aeruginosa
(American Chemical Society (ACS), 2017)
Antibiotic resistance has become a serious global threat to public health; therefore, improved strategies and structurally novel antimicrobials are urgently needed to combat infectious diseases. Here we report a new type ...
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 ...
The synthesis of 2,5-bis(4-amidinophenyl)thiophene derivatives providing submicromolar-range inhibition of the botulinum neurotoxin serotype A metalloprotease
(Elsevier France-Editions Scientifiques Medicales Elsevier, Paris, 2012)
Botulinum neurotoxins (BoNTs), composed of a family of seven serotypes (categorized A-G), are the deadliest of known biological toxins. The activity of the metalloprotease, light chain (LC) component of the toxins is ...
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 ...
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. ...