Ethanol Oxidation on Gold Nanowire Containing Oxygen Impurities: A Study by Ab Initio Molecular Dynamics Simulations
Abstract
Volume 2,Issue 4
Ethanol Oxidation on Gold Nanowire Containing Oxygen Impurities: A Study by Ab Initio Molecular Dynamics SimulationsAbstract Linear atomic chain (LAC) gold nanowires (Au-NWs) containing oxygen impurities are materials that could be used as supports to stimulate chemical reactions. Its peculiar structural characteristics, such as abnormal Au-Au bonds, make it interesting to explore the chemical reactions of this material at a theoretical level. This work investigated the chemical reaction of ethanol supported on Au-NW containing two oxygen impurities. Using ab initio molecular dynamics simulations, [...] |
Fabrication and Catalytic Property of an Ordered Terpyridine Pd(II)/Ni(II) Catalytic Monolayer for Suzuki Coupling ReactionsAbstract Fabrication, arrangement, and controllable composition of ordered organometallic films are critical for designing a highly active catalyst and investigating the catalytic mechanism. In this paper, an organometallic terpyridine Pd(II)/Ni(II) monolayer linked on the silicon substrate surface (denoted as Si-Tpy-Pd1/Ni1) was prepared and characterized using water contact angle, ultraviolet spectra, X-ray diffraction, scanning [...] |
Biocatalyzed Hydrolysis of Residual Oils and Proteins from Flax and Camelina Oilseed Press Cakes Using Lipase and ProteaseAbstract In this study, a PoC (Proof of Concept) of a possible biomass valorization of flax and camelina oilseed press cakes was presented. Biocatalyzed hydrolysis of residual oils and proteins extracted from these wastes was studied. The biotransformation of oils was performed using commercial immobilized lipases, including Amano PS, Amano AK, and Candida Antarctica Lipase B (CALB). Acylglycerols were partially or fully hydrolyzed using Amano PS and AK. Triglycerides were not hydrolyzed by CALB, which b [...] |
Effect of Different Additives on the Structure and Activity of β-Galactosidase Immobilized on a Concanavalin A–Modified Silica-Coated Titanium Dioxide Nanocompositeby
Azra Shafi
and
Qayyum Husain
Abstract Interpreting the relationship between the activity and structure of β-galactosidase is necessary to perceive the impact of the enzyme’s conformation on its catalysis. The current study thoroughly explains the effects of additives such as ethylenediaminetetraacetic acid (EDTA), sodium dodecyl sulfate (SDS), dithiothreitol (DTT), and urea on β-galactosidase activity and structure. β-Galactosidase activity was determined at [...] |
Enhanced Photocatalytic Degradation of p-Nitrophenol and Phenol Red Through Synergistic Effects of a CeO2-TiO2 NanocompositeAbstract Organic compounds are one of the most severe pollutants occurring in the environment. Hence, it is important to remove these compounds from the environment through remediation processes such as photocatalysis. The present study investigated the photocatalytic degradation of p-nitrophenol (NP) and phenol red (PR) using a cerium oxide-titanium oxide nanocomposite (CeO2-TiO2nc) under UV light. CeO2-TiO
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Thermokinetic and Thermodynamic Parameters for Catalytic Pyrolysis of Medium Density Fiber over Ni/Beta Zeoliteby
Mateus Carvalho
,
Ana Paula Oliveira
,
Francieli Mayer
,
Cesário Virgens
and
Maria do Carmo Rangel
Abstract Catalytic pyrolysis is an attractive alternative for converting biomass into energy and chemicals to replace fossil sources. This has encouraged the search for efficient catalysts that can directly remove oxygenated products during pyrolysis, since they are the main problem in the processing and use of the products obtained. The catalytic and non-catalytic pyrolysis of medium density fiber (MDF) over beta zeolite-supported nickel (3 and 5%) was performed using the biomass/catalyst of 1.0/0.2 rat [...] |
The Effect of Oxygen-containing Additives in Feedstock on the Performance of the Catalytic Cracking ProcessAbstract In this study, we found that adding catalytic cracking feedstock, vacuum gas oil, and naphthenic acids in the amount of 0.005–0.0075% vol. increased the liquid target fractions, i.e., gasoline and light gas oil. The decrease in the yield of hydrocarbon gas at a practically constant degree of conversion of the raw material indicated a small proportion of the reactions of re-cracking of the resulting products. This also indicated the resource-saving nature of the process, allowing a larger amount [...] |
Short Hydroacylation-Based Synthesis of Four Aryl-3-hydroxypropanones, Predictable Biomass-Derived C9 Platform MoleculesAbstract A two-step protocol for the synthesis of aryl-3-hydroxypropanones, which were regarded as lignin degradation products, was proposed herein. This protocol provided a more rapid and easier access to aryl-3-hydroxypropanones, and aryl-3-hydroxypropanones were expected to be ideal platform molecules for the synthesis of more complex value-added targets. |
Effect of ZSM-5 Particle Size and Framework Silica-to-Alumina Ratio on Hexane Aromatizationby
Manal Al-Eid
,
Lianhui Ding,
,
Donya Sewdan
,
Emad N. AL-Shafei
,
Rasha Al-Ghamdi
,
Abdulaziz Alqarawi
and
Essa Al naimi
Abstract Parent ZSM-5 and Ga-modified ZSM-5 catalysts with different Si/Al ratios and particle sizes were prepared. The physicochemical properties of the prepared catalysts were investigated by performing X-ray powder diffraction analysis, BET surface area analysis, and NH3-TPD analysis. The performance of the aromatization reaction of the prepared catalysts was evaluated with 1-hexane as a model compound. The zeolite catalysts with a low SiO2/Al2& [...] |
Kinetic Modeling of the Esterification of Oleic Acid and Methanol in Conventional and Adsorptive Reaction SystemsAbstract Biodiesel is derived from renewable vegetable or animal sources and is either used as a standalone fuel or blended with oil-based diesel. The kinetic mechanism of the esterification of oleic acid was investigated in a conventional batch reactor and a batch reactor coupled to a water adsorption system. The esterification was performed with oleic acid and methanol at different temperatures (70 to 110 °C) and alcohol-to-oleic acid molar ratios (3:1 to 9:1), using sulfuric acid as a catalyst. A kine [...] |
Perovskite Solar Cells: Assessment of the Materials, Efficiency, and Stabilityby
Binita Boro
,
Shivam Porwal
,
Dinesh Kumar
,
Snehangshu Mishra
,
Subrata Ghosh
,
Sakshi Kansal
,
Amreesh Chandra
and
Trilok Singh
Abstract Solar cells based on organic-inorganic lead halide perovskites are popular in the photovoltaic community due to their high efficiency, low cost, and solution processability. Understanding the fundamentals of metal halide perovskite and its interfaces is extremely important for achieving high-quality materials and developing efficient devices using these materials with the necessary properties. Various methodologies have been used to evaluate the excellent optoelectronic properties, efficiency, a [...] |
3D Printed Polylactic Acid (PLA) Well Plates for Enzyme Inhibition Studies: The Case of Pancreatic Lipaseby
Anastasia Skonta
,
Elena Gkantzou
,
Konstantinos Spyrou
,
Stamatia Spyrou
,
Angeliki Polydera
,
Dimitrios Gournis
and
Haralambos Stamatis
Abstract 3D printed PLA has already been demonstrated for several biotechnological applications, including enzymes immobilization. The prerequisites for an efficient screening assay include using small volumes of reagents, low cost, and rapid screening of large numbers of compounds and extracts. Hence, assays based on microtiter plates are predominant. Thus, designing and fabricating scaffolds on a similar scale, which could serve as immobilization carriers, and their recruitment in inhibitors screening [...] |
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