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Zeolitization of Fumed Silica and Coal Fly Ash Using the Taguchi Method Toward Organic Pollutant Removal
This study aims to inspect the effect of hydrothermal parameters on the zeolitization of coal fly ash and fumed silica using the L9 orthogonal...
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Molecular dynamics simulation of the effect of temperature on the conformation of ubiquitin protein
ContentUbiquitin, a ubiquitous small protein found in all living organisms, is crucial for tagging proteins earmarked for degradation and holds...
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Development of a 13 C NMR spectroscopic method for the determination of sucrose, fructose, and glucose in pumpkin (Cucurbita maxima)
A simple, cost-effective, and environmentally friendly 13 C NMR method was developed and validated for the determination of sucrose, fructose, and...
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Theoretical investigation to predict properties of CL-20/HMX cocrystal explosive with adulteration crystal defect: a molecular dynamics (MD) study
To explore the effects of adulteration crystal defect on performances of...
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Preparation of PVA/GO/h-BN Janus Film with High Thermal Conductivity and Excellent Flexibility via a Density Deposition Self-assembly Method
Janus films with asymmetric physical/chemical properties have attracted considerable attention due to their promising applications in personal...
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In Silico-DFT Investigation of Nanocluster Alloys of Al-(Mg, Ge, Sn) Coated by Nitrogen Heterocyclic Carbenes as Corrosion Inhibitors
Aluminum alloys with magnesium are broadly applied as structural materials for their high ductility and remarkable corrosion resistance. As the...
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Molecular dynamics simulation of CL20/DNDAP cocrystal-based PBXs
ContextCL-20/DNDAP cocrystal is a promising new type of explosive with exceptional energy density and detonation parameters. However, compared to...
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A new ionic cross-linking network type high hysteresis oil resistant ACM/POM TPV preparation method and performance research
Herein, the concept of ionic cross-linking was first introduced into the preparation of thermoplastic vulcanizates (TPV). Oil-resistant TPV was...
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Raman imaging analysis of intracellular biothiols independent of the aggregation of sensing substrates
The content of biothiols in cells is highly associated with the occurrence and development of several diseases. However, due to their active chemical...
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Molecular dynamics simulation and performance verification of γ-polyglutamic acid/cold water-soluble starch film formation and permeability
Six types of γ-polyglutamic acid (γ-PGA)/cold water-soluble starch (St) composite film models were constructed using molecular dynamics simulation,...
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Cryoprotective Potential of Cellulose Nanofibers and Gelatin Hydrolysate in Frozen Potatoes
In this study, the combined effect of gelatin hydrolysate (GH) and cellulose nanofibers (CNF) on the quality parameters of frozen potatoes with and...
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Investigate Toxicity and Control Size and Morphological of Iron Oxide Nanoparticles Synthesis by PLAIL Method for Industrial, Environmental, and Medical Applications: A Review
With recent advances in nanotechnology, various nanomaterials have been used in various fields. The unique physiochemical properties and...
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An Ultrasensitive Method Using Polymerase Chain Reaction-Dynamic Light Scattering for Detection of Salmonella in Milk
The development of rapid and effective detection of pathogens is necessary to prevent bacterial infection. Herein, we constructed a novel polymerase...
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The bidirectional regulation mechanism of NMMO concentration change on cellulose dissolution and regeneration
The dissolution and regeneration process of cellulose molecules in NMMO aqueous solution was studied by molecular dynamics (MD) simulation. The...
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Strengthened bonds by chemical development at surface of low dielectric PMMA/Borax composite for low reflection of broadband waves (500 MHz—50 GHz)
PMMA (polymethylmethacrylate) and borax doped copolymer were synthesized by using atom transfer radical polymerization method. The uses of this...
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DeNOx Behavior of Mn–Ni–Co Doped APSO-34 Nanostructured Catalyst Synthesized via Ultrasound Assisted One-Pot Hydrothermal Method
AbstractIn this research, the Mn–Ni–Co doped APSO-34 nanostructured materials were studied in the C3H8-assisted reduction of NO x . The MeAPSO-34...
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The FMO-DFTB Method
Although the fragment molecular orbital (FMO) method enables electronic structure calculations with near-linear scaling behavior with respect to...
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Development of isotope dilution–liquid chromatography/tandem mass spectrometry as a candidate reference method for the accurate determination of patulin in apple products
The incidence of patulin (PAT) in fruit products is a worldwide concern due to its acute and chronic toxic effects. Therefore, accurate and reliable...
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A detail investigation of synergistic effects between the intramolecular hydrogen bond and π-electron delocalization in 3-hydroxy prop-2-en thial and its derivatives
In the present work, a detailed investigation of synergistic effects between the intramolecular hydrogen bond (IMHB) and π-electron delocalization...
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Transition metal (X = Mn, Fe, Co, Ni, Cu, Zn)-doped graphene as gas sensor for CO2 and NO2 detection: a molecular modeling framework by DFT perspective
ContextIn this research, CO 2 and NO 2 adsorption on doped nanographene (NG) sheets with transition metals (Fe, Ni, Zn) and (Mn, Co, Cu),...
