Browsing Chemistry & Earth Sciences by Publisher "Elsevier B.V."
Now showing items 1-20 of 41
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A computational study on molecular structure and stability of tautomers of dipyrrole-based phenanthroline analogue
( Elsevier B.V. , 2018 , Article)This work reports structure and stability of different tautomers of a newly-designed analogue of 1,10-phenanthroline-5,6-dione (the di-keto structure (DK) derived from 1H,8H-pyrrolo[3,2-g]indole (PI)) using quantum chemical ... -
A simple model for cell type recognition using 2D-correlation analysis of FTIR images from breast cancer tissue
( Elsevier B.V. , 2018 , Article)Breast cancer is the second most common cancer after lung cancer. So far, in clinical practice, most cancer parameters originating from histopathology rely on the visualization by a pathologist of microscopic structures ... -
Activation and stabilization of gallium arsenide anode in an aqueous photoelectrochemical cell
( Elsevier B.V. , 2003 , Article)The formation of a porous layer on the surface of gallium arsenide anode, n-GaAs, increases photogenerated currents significantly. This layer was formed as a result of an anodic polarization of illuminated n-GaAs in acidified ... -
Analytical methods for mercury speciation, detection, and measurement in water, oil, and gas
( Elsevier B.V. , 2020 , Article Review)Mercury related compounds are released in massive and alarming amounts due to increased human activities such as the processing of hydrocarbons in the petroleum industry. The contamination due to mercury compounds is ... -
Antimicrobial modification of PLA scaffolds with ascorbic and fumaric acids via plasma treatment
( Elsevier B.V. , 2020 , Article)An optimal medical scaffold should be biocompatible and biodegradable and should have adequate mechanical properties and scaffold architecture porosity, a precise three-dimensional shape, and a reasonable manufacturing ... -
Application of fractional factorial design for green synthesis of cyano-modified silica nanoparticles: Chemometrics and multifarious response optimization
( Elsevier B.V. , 2018 , Article)Cyano-functionalized spherical silica nanoparticles (SNPs) were synthesized via St?ber method. A 2 k-p IV fractional factorial design (2k-p IV-FFD) was used to smartly prepare monodispersed evenly distributed SNPs. Six ... -
Bimetallic palladium-supported halloysite nanotubes for low temperature CO oxidation: Experimental and DFT insights
( Elsevier B.V. , 2019 , Article)The design and fabrication of novel metal-supported catalysts for energy conversion and heterogeneous catalysis is a pivotal theme. Herein, we present the synthesis of bimetallic palladium nanoalloys supported on halloysite ... -
Biophysical studies of the effect of high power ultrasound on the DNA solution
( Elsevier B.V. , 2014 , Article)Stability and molecular size of the DNA double helical structure were studied on an aqueous solution of DNA after exposure to high power doses of continuous wave ultrasound at frequency of 20kHz. Thermal transition ... -
Charge-transfer complexes of 4-methylpiperidine with σ- and π-acceptors
( Elsevier B.V. , 2015 , Article)The solid charge-transfer (CT) molecular complexes formed in the reaction of the electron donor 4-methylpiperidine (4MP) with the σ-electron acceptor iodine and π-acceptors 7,7,8,8-tetracyanoquinodimethane (TCNQ), ... -
Computational molecular perspectives on the interaction of propranolol with ?-cyclodextrin in solution: Towards the drug-receptor mechanism of interaction
( Elsevier B.V. , 2017 , Article)Elucidating the mechanism of interaction between a drug molecule and its corresponding receptors is of great importance. It had been demonstrated that Propranolol as a β-blocker interacts with β-adrenoreceptors through ... -
Crystal structure, spectral, thermal and experimental/computational investigation of Anthracen-benzo[d]thiazol-2-amine new Schiff base derivative
( Elsevier B.V. , 2021 , Article)The N-S-N-tridentate ((E)-N-(anthracen-9-ylmethylene)benzo[d]thiazol-2-amine product was made available by dehydration of 2-Aminobenzothiazole with 9-anthraldehyde under non-classical microwave condition, five-minute ... -
CS<inf>2</inf> mediated synthesis of corrosion-inhibiting mercaptobenzothiazole molecule for industrial zinc: Experimental studies and molecular dynamic simulations
( Elsevier B.V. , 2021 , Article)In this study, 2-mercaptobenzothiazole (MBT) was synthesized from a CS2 mediated formation scheme involving a catalyzed reaction between aminophenyl disulfide with metal sulfide under N2 atmosphere. The formation mechanism ... -
Cu-Ce-O catalyst revisited for exceptional activity at low temperature CO oxidation reaction
( Elsevier B.V. , 2018 , Article)In the present study, CexCu1−xO2−δ (x = 0, 0.3, 0.5, 0.8, 0.9, and 1) catalysts were synthesized using a facile and reproducible combustion method and were evaluated towards the CO oxidation (CO-OX) and CO preferential ... -
Design and optimization of a luminescent Samarium complex of isoprenaline: A chemometric approach based on Factorial design and Box-Behnken response surface methodology
( Elsevier B.V. , 2019 , Article)A chemometrically optimized procedure has been developed for the determination of isoprenaline (ISO) in the parent substance as well as in its respective pharmaceutical preparation. It is worth mentioning that although ... -
Effect of pH on acidic and basic chelating agents used in the removal of iron sulfide scales: A computational study
( Elsevier B.V. , 2019 , Article)Iron sulfide scale is a major challenge in the upstream section of the oil and gas industry. It is responsible for precipitate formation in tubulars, and it damages equipment. This leads to a loss in production. Mechanical ... -
Electro-sprayed PVA coating with texture-enriched surface morphology for augmented humidity sensing
( Elsevier B.V. , 2018 , Article)This article reports the modified surface morphology of Poly-vinyl Alcohol (PVA) films using electro-spraying coating technique. Atomic force microscopy (AFM) and scanning electron microscopy (SEM) were conducted to examine ... -
Enhancement of gemcitabine against pancreatic cancer by loading in mesoporous silica vesicles
( Elsevier B.V. , 2017 , Article)Gemcitabine (Gem) is currently the first-line chemotherapeutic drug in management of pancreatic cancer, however the therapeutic efficacy of Gem is limited due to its short half-life and poor cell membrane permeability. ... -
Ether, sulfide and sulfone derivatives of cinnamaldehyde: Insights into synthesis, structural elucidation and solvatochromism
( Elsevier B.V. , 2024 , Article)Symmetric ether, sulfide and sulfone derivatives based on Schiff base functionalized group (3a-c) were synthesized via classical condensation of 4,4′-diaminodiphenyl precursors (1a-c) and cinnamaldehyde (2) in methanol at ... -
Evaluation of the inhibition performance of piperazine-based polyurea towards mild steel corrosion: The role of keto-enol tautomerization
( Elsevier B.V. , 2022 , Article)The lack of solubility of polyurea materials impedes their application as effective inhibitors against metallic corrosion in aqueous media. Herein, we have synthesized a new piperazine-based polyurea inhibitor (PUCorr) ... -
First-principle studies on the gas phase OH-initiated oxidation of O-toluidine
( Elsevier B.V. , 2019 , Article)In the present work, the gas phase reaction of OH radical initiated O-toluidine (OTOD) oxidation is investigated at ROCBS-QB3. Different pathways for OH radical additions to the benzene ring sites and H-atom abstractions ...