Chemistry & Earth Sciences: Recent submissions
Now showing items 461-480 of 614
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Performance and computational studies of two soluble pyran derivatives as corrosion inhibitors for mild steel in HCl
( Elsevier B.V. , 2019 , Article)The present study is aiming to explore the effect of 4-Hydroxy-6-methyl-3-(3-quinolin-8-yl-acryloyl)-pyran-2-one (HMQP) and 3-[3-(4-Dimethylamino-phenyl)-acryloyl]-4-hydroxy-6-methyl-pyran-2-one (DMPHP) on mild steel (MS) ... -
Three-component one-pot reaction for molecular engineering of novel cost-effective highly rigid quinoxaline-based photosensitizers for highly efficient DSSCs application: Remarkable photovoltage
( Elsevier Ltd , 2019 , Article)A simple three-component one-pot approach was developed to generate three novel highly rigid quinoxaline-based dyes, which were further investigated as sensitizers of dye-sensitized solar cells (DSSCs). The effect of ... -
Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical
( Nature Publishing Group , 2019 , Article)In this work, a theoretical investigation of thermochemistry and kinetics of the oxidation of bifunctional 2-Methoxyethanol (2ME) biofuel using methyl radical was introduced. Potential-energy surface for various channels ... -
Investigations into structure-property relationships of novel Ru(II) dyes with N,N′-Diethyl group in ancillary ligand for dye-sensitized solar cells
( Elsevier Ltd , 2019 , Article)Structure-property relationships of four novel bipyridyl Ru(II) complexes, denoted as SD-22, SD-24, SD-26 and SD-28, are reported herein. The molecular structures of all four photosensitizers were confirmed using FT-IR, ... -
Vertical silicon nanowire-based racetrack resonator optical sensor
( Springer Verlag , 2019 , Article)We propose a highly sensitive optical sensor which is built from silicon nanowires. The silicon nanowires are arranged to form a ring resonator. The silicon nanowires cladding and voids are filled with the analyte. The ... -
Probing the Solute-Solvent Interaction of an Azo-Bonded Prodrug in Neat and Binary Media: Combined Experimental and Computational Study
( Nature Publishing Group , 2019 , Article)Preferential solvation has significant importance in interpreting the molecular physicochemical properties of wide spectrum of materials in solution. In this work, the solute-solvent interaction of pro-drug Sulfasalazine ... -
Pomegranate peels as versatile adsorbents for water purification: Application of box–behnken design as a methodological optimization approach
( John Wiley and Sons Inc. , 2019 , Article)Pomegranate peels (PGP) were tested as a green adsorbent for the removal of Ni(II) from contaminated water samples. Both raw (RPG), and char/burnt peels (BPG) were tested. A multivariate analysis approach, Box–Behnken (BB) ... -
Bio-Waste Aloe vera Leaves as an efficient adsorbent for Titan Yellow from Wastewater: Structuring of a novel adsorbent using Plackett-Burman factorial design
( MDPI AG , 2019 , Article)Titan yellow (TY), a triazene azo dye, was removed from contaminated wastewater samples using a green adsorbent recycled from Aloe vera leaves (AV) waste. Two adsorbents were developed-air-dried Aloe vera (ADAV) and thermally ... -
Kinetics of alkoxysilanes hydrolysis: An empirical approach
( Nature Research , 2019 , Article)Alkoxysilanes and organoalkoxysilanes are primary materials in several industries, e.g. coating, anti-corrosion treatment, fabrication of stationary phase for chromatography, and coupling agents. The hydrolytic polycondensation ... -
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 ... -
Optical modulator based on silicon nanowires racetrack resonator
( SPIE , 2018 , Conference)An optical modulator based on the racetrack resonator configuration is introduced.The structure of the resonator modulator is built from silicon nanowires on silica.The cladding and voids between the silicon nanowires are ... -
Mechanistic and kinetic studies of the degradation of diethyl phthalate (DEP) by homogeneous and heterogeneous Fenton oxidation
( Elsevier B.V. , 2019 , Article)In this work, the degradation of diethyl Phthalate (DEP) by homogeneous and heterogeneous Fenton oxidation was investigated. The influence of several parameters was determined such as the initial pH, the catalyst concentration, ... -
Insights into the Effects of Electrolyte Composition on the Performance and Stability of FeF 2 Conversion-Type Cathodes
( Wiley-VCH Verlag , 2019 , Article)As an alternative to commercial Ni- and Co-based intercalation-type cathode materials, conversion-type metal fluoride (MF x ) cathodes are attracting more interest due to their promises to increase cell-level energy density ... -
On the encapsulation of Olsalazine by ?-cyclodextrin: A DFT-based computational and spectroscopic investigations
( Elsevier B.V. , 2019 , Article)In this work, the supramolecular host-guest interaction of the prodrug Olsalazine (OLZ) and β-Cyclodextrin (β-CD) was examined experimentally and computationally. Experimentally, employing the UV–Vis spectroscopic method ... -
Database Facilitated Screening with NMR Spectroscopy Analysis for Drug Detection
( IEEE , 2019 , Conference)© 2019 IEEE. Drug detection plays the key role in the enforcement of drug regulations. Various detection methods for them are thus developed. However, in most investigations, the most time-consuming and tedious part is not ... -
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 ... -
Mixed Metal Difluorides as High Capacity Conversion-Type Cathodes: Impact of Composition on Stability and Performance
( Wiley-VCH Verlag , 2018 , Article)With the most recent development of ultrahigh capacity anodes, such as Li- or Si-based anodes, metal fluorides hold promise as complementary high-capacity conversion cathode materials for next-generation energy storage ... -
Recent Progress in Molecular Design of Fused Ring Electron Acceptors for Organic Solar Cells
( Wiley-VCH Verlag , 2019 , Article Review)The quest for sustainable energy sources has led to accelerated growth in research of organic solar cells (OSCs). A solution-processed bulk-heterojunction (BHJ) OSC generally contains a donor and expensive fullerene acceptors ... -
Hierarchical Nanostructured MWCNT MnF2 Composites With Stable Electrochemical Properties as Cathode Material for Lithium Ion Batteries
( Wiley-VCH Verlag , 2018 , Article)Multi-walled carbon nanotubes?manganese(II) fluoride (MWCNT?MnF2) composite was prepared by a simple two-step method. In the first step, a wet chemistry reaction between manganese (II) nitrate, Mn(NO3)2, and hexafluoroslicic ... -
Substituted 2-aminobenzothiazoles salicylidenes synthesis and characterization as cyanide sensors in aqueous medium
( MDPI AG , 2018 , Article)(E)-2-((benzo[d]thiazol-2-ylimino)methyl)-4-nitrophenol 1 and (E)-2-(((6-methoxybenzo[d]thiazol-2-yl)imino)methyl)-4-nitrophenol 2 were synthesized efficiently under microwave conditions. The structures were confirmed using ...
