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Modeling of multifunctional donor-bridge-acceptor 4,6-di(thiophen-2-yl)pyrimidine derivatives: A first principles study
submitted by polizio 28 minutes ago - Topic: Engineering
We have modeled multifunctional compounds by pi-elongation and push-pull strategy from the 4,6-di(thiophen-2-yl)pyrimidine. The ground state geometries have been optimized by Density Functional Theory while excited state geometries were optimized by Time Dependent Density Functional Theory (TDDFT...



Immobilized lipase-catalyzed transesterification of Jatropha curcas oil: Optimization and modeling
submitted by martochka18 29 minutes ago - Topic: Chemicals
This study investigates the production of biodiesel from non-edible crude jatropha oil in the presence of an immobilized lipase catalyst. A modified method was used to immobilize Rhizopus oryzae lipase in the polyvinyl alcohol–alginate matrix. Response surface methodology (RSM) and artificial n...

Effective removal of Ni(II) from aqueous solutions by modification of nano particles of clinoptilolite with dimethylglyoxime
submitted by hoogland 29 minutes ago - Topic: Chemicals
In this work an Iranian natural clinoptilolite tuff was pre-treated and changed to the micro (MCP) and nano (NCP) particles by mechanical method. Modification of micro and nano particles and also their Ni-exchanged forms were done by dimethylglyoxime (DMG). The raw and modified samples were chara...

An investigation on the modelling of kinetics of thermal decomposition of hazardous mercury wastes
submitted by hoogland 29 minutes ago - Topic: Chemicals
The kinetics of mercury removal from solid wastes generated by chlor-alkali plants were studied. The reaction order and model-free method with an isoconversional approach were used to estimate the kinetic parameters and reaction mechanism that apply to the thermal decomposition of hazardous mercu...

Effects of chlorimuron-ethyl application with or without urea fertilization on soil ammonia-oxidizing bacteria and archaea
submitted by hoogland 29 minutes ago - Topic: Chemicals
Chlorimuron-ethyl (CE) has been widely used in modern agriculture, but little is known regarding the influence of CE on ammonia-oxidizing bacteria (AOB) and archaea (AOA) populations in soils. In this study, microcosm incubation of aquic brown soil was conducted for 60 d. Associated changes in th...



Biochar properties regarding to contaminants content and ecotoxicological assessment
submitted by hoogland 29 minutes ago - Topic: Chemicals
The objective of the study was the determination of the content of contaminants and toxicity of four different biochars. The properties of the biochars, content of trace metals and polycyclic aromatic hydrocarbons (16 PAHs) were determined. Toxicological estimation of the biochars was performed o...

Experimental study on elemental mercury removal by diperiodatonickelate (IV) solution
submitted by hoogland 29 minutes ago - Topic: Chemicals
A novel method has been developed to remove elemental mercury from simulated flue gas by a diperiodatonickelate (IV) solution. The influencing factors, such as diperiodatonickelate (IV) concentration, reaction temperature, solution pH, the initial Hg0 concentration, SO2 concentration and NO conce...

Removal of emerging contaminants in sewage water subjected to advanced oxidation with ozone
submitted by hoogland 29 minutes ago - Topic: Chemicals
Advanced oxidation processes (AOP) based on ozone treatments, assisted by ultrasounds, have been investigated at a pilot-plant scale in order to evaluate the removal of emerging contaminants in sewage water. Around 60 emerging contaminants, mainly pharmaceuticals from different therapeutically cl...

Detoxification of Jatropha curcas kernel cake by a novel Streptomyces fimicarius strain
submitted by hoogland 29 minutes ago - Topic: Chemicals
A huge amount of kernel cake, which contains a variety of toxins including phorbol esters (tumor promoters), is projected to be generated yearly in the near future by the Jatropha biodiesel industry. We showed that the kernel cake strongly inhibited plant seed germination and root growth and was ...

Early adsorption of collagen on the reduced rutile (110) surface mediated by water: A molecular dynamics study
submitted by thill 29 minutes ago - Topic: Engineering
The adsorption of collagen on the reduced rutile (110) surface with monatomic step defects in aqueous solution was modeled by classical molecular dynamics simulation. The step defects on the rutile surface were mainly parallel to the <11(—)Z1>crystal orientation. Possible binding ...

Electronic transport properties of liquid Na1−xKx alloys
submitted by grohmann 1 hour ago - Topic: Engineering
The resistivities of liquid alkali metal Na–K alloys are investigated using Ziman formula and the alternative expression based on Ziman formula suggested by Ferraz and March. As for the input of pseudopotential, the individual version of the electron–ion potential proposed by Fiolhais and cow...

Saw-tooth chip formation and its effect on cutting force fluctuation in turning of Inconel 718
submitted by DhivyaMS 1 hour ago - Topic: Industrials
Chip formation and its morphology are important features of metal cutting, and they can yield much more important information on the cutting operations. Meantime, the cutting forces are the most commonly used on-line indicators to monitor the cutting process. In this research, the formation of th...

Spot welding of aluminum and cast iron by friction bit joining
submitted by DhivyaMS 1 hour ago - Topic: Industrials
Dissimilar combinations of aluminum alloy A356 and grey cast iron were spot welded by friction bit joining. In order to facilitate bonding, an intermediate layer of interstitial free steel was placed between the aluminum and the cast iron. Welding development resulted in cycle times of approximat...

Characterization and recognition of particles for improving cleanability in automotive production
submitted by DhivyaMS 1 hour ago - Topic: Industrials
The complicated systems for casting, anodizing, machining (drilling, milling, turning), high-pressure water jet (HPWJ) deburring, and brushing processes create many different kinds of particles: burr, cast and chip. These particles lodge inside the transmission, engine and crankshaft, and then da...

Study on high temperature processing of biocompatible Ti-10Ta-10Nb alloys
submitted by DhivyaMS 1 hour ago - Topic: Industrials
Specimens of Ti-10Ta-10Nb have become hot forging after being heated to the state of α + β or â-phase. Various temperatures (650, 700, 750, 800, 850°C) and strain rates (0.001, 0.01, 0.1, 1, 10 s−1) are used. Based on the flow stress data from temperatures and compressive strain rates, a pr...




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