Combined Promoting Effects of Specific Organic Functional Groups and Alumina Surface Characteristics for the Design of a Highly Efficient NiMo/Al_(2)O_(3) Hydrodesulfurization Catalyst

To prepare a highly efficient NiMo/Al_(2)O_(3) hydrodesulfurization catalyst,the combined effects of specific organic functional groups and alumina surface characteristics were investigated.First,the correlation between the surface characteristics of four different alumina and the existing Mo species states was established.It was found that the Mo equilibrium adsorption capacity can be used as a specific descriptor to quantitatively evaluate the changes in surface characteristics of different alumina.A lower Mo equilibrium adsorption capacity for alumina means weaker metal-support interaction and the loaded Mo species are easier to transform into MoS2.However,the Mo-O-Al bonds still exist at the metal-support interface.The introduction of cationic surfactant hecadecyl trimethyl ammonium bromide(CTAB)can further improve Mo species dispersion through electrostatic attraction with Mo anions and interaction of its alkyl chain with the alumina surface;meanwhile,the introduction of ethylenediamine tetraacetic acid(EDTA)can complex with Ni ions to enhance the Ni-promoting effect on Mo.Therefore,the NiMo catalyst designed using alumina with lower Mo equilibrium adsorption capacity and the simultaneous addition of EDTA and CTAB exhibits the highest hydrodesulfurization activity for 4,6-dimethyl dibenzothiophene because of its proper metal-support interaction and more well-dispersed Ni-Mo-S active phases.

Effect of Exchange-Correlation Functional on the Structural, Mechanical, and Optoelectronic Properties of Orthorhombic RbSrBr3 Perovskite

In the present study, the effect of the exchange-correlation functional on the structural, mechanical, and optoelectronic properties of orthorhombic RbSrBr3 perovskite has been investigated using various functionals in Density Functional Theory (DFT) with the CASTEP code. The optimized lattice parameters are quite similar for all the functionals. The electronic properties have shown that RbSrBr3 perovskite is a wide direct band gap compound with a band gap energy ranging from 4.296 eV to 4.494 eV for all the functionals. The mechanical parameters like elastic constants, Young’s modulus, Shear modulus, Poisson’s ratio, Pugh’s ratio, and an anisotropic factor reveal that the RbSrBr3 perovskite has ductile behavior and an anisotropic nature which signifies the mechanical stability of the compound. The Debye temperature might withstand lattice vibration heat. High absorption coefficient (>104 cm−1), high optical conductivity, and very low reflectivity have been found in the RbSrBr3 perovskite for all functions. The computed findings on the RbSrBr3 perovskite suggested that the presented studied material is potentially applicable for photodetector and optoelectronic devices.

Mathematical Wave Functions and 3D Finite Element Modelling of the Electron and Positron

The wave/particle duality of particles in Physics is well known. Particles have properties that uniquely characterize them from one another, such as mass, charge and spin. Charged particles have associated Electric and Magnetic fields. Also, every moving particle has a De Broglie wavelength determined by its mass and velocity. This paper shows that all of these properties of a particle can be derived from a single wave function equation for that particle. Wave functions for the Electron and the Positron are presented and principles are provided that can be used to calculate the wave functions of all the fundamental particles in Physics. Fundamental particles such as electrons and positrons are considered to be point particles in the Standard Model of Physics and are not considered to have a structure. This paper demonstrates that they do indeed have structure and that this structure extends into the space around the particle’s center (in fact, they have infinite extent), but with rapidly diminishing energy density with the distance from that center. The particles are formed from Electromagnetic standing waves, which are stable solutions to the Schrödinger and Classical wave equations. This stable structure therefore accounts for both the wave and particle nature of these particles. In fact, all of their properties such as mass, spin and electric charge, can be accounted for from this structure. These particle properties appear to originate from a single point at the center of the wave function structure, in the same sort of way that the Shell theorem of gravity causes the gravity of a body to appear to all originate from a central point. This paper represents the first two fully characterized fundamental particles, with a complete description of their structure and properties, built up from the underlying Electromagnetic waves that comprise these and all fundamental particles.

Changes of structure and functional properties of rice protein in the fresh edible rice during the seed development

It has been reported that fresh edible rice has more bioactive compounds and its protein is easier to digest and has lower hypoallergenic than mature rice. In this paper, the changes in structure and functional properties of proteins at five different stages, including early milky stage(EMS), middle milky stage(MMS), late milky stage(LMS), waxy ripe stage(WS)and ripening stage(RS), during the seed development were investigated. It was found that with the seed developing, the molecular weight of fresh rice protein gradually become larger while the secondary structure changed from the highest content of disordered structure at MMS to the highest content of ordered structure at RS, which affect the surface hydrophobicity and then the functional properties of proteins, including foaming properties, emulsifying properties and oil holding capacity. Fresh rice protein at MMS has the strongest surface hydrophobicity while fresh edible rice protein at RS has the strongest oil holding capability. The results of our study can provide a theoretical basis for the application of fresh rice protein in the food industry and help to develop new fresh edible rice food.

Investigation of the structural, electronic and mechanical properties of CaO–SiO_(2) compound particles in steel based on density functional theory

CaO–SiO_(2)compounds compromise one of the most common series of oxide particles in liquid steels, which could significantly affect the service performance of the steels as crack initiation sites. However, the structural, electronic, and mechanical properties of the compounds in CaO–SiO_(2)system are still not fully clarified due to the difficulties in the experiments. In this study, a thorough investigation of these properties of CaO–SiO_(2)compound particles in steels was conducted based on first-principles density functional theory. Corresponding phases were determined by thermodynamic calculation, including gamma dicalcium silicate(γ-C2S), alpha-prime(L) dicalcium silicate(αL′-C2S), alpha-prime(H) dicalcium silicate(αH′-C2S), alpha dicalcium silicate(α-C2S), rankinite(C3S2), hatrurite(C3S), wollastonite(CS), and pseudowollastonite(Ps-CS). The results showed that the calculated crystal structures of the eight phases agree well with the experimental results. All the eight phases are stable according to the calculated formation energies, and γ-C2S is the most stable. O atom contributes the most to the reactivity of these phases. The Young’s modulus of the eight phases is in the range of 100.63–132.04 GPa. Poisson’s ratio is in the range of0.249–0.281. This study provided further understanding concerning the CaO–SiO_(2)compound particles in steels and fulfilled the corresponding property database, paving the way for inclusion engineering and design in terms of fracture-resistant steels.

Verify the Function of a Potential Growth-Regulating Gene in Marine Bivalve Using a Candidate Model Organism Mulinia lateralis

A better understanding of genetic bases of growth regulation is essential for bivalve breeding,which is helpful to improve the yield of the commercially important bivalves.While previous studies have identified some candidate genes accounting for variation in growth-related traits through genotype-phenotype association analyses,seldom of them have verified the functions of these putative,growth-related genes beyond the genomic level due to the difficulty of culturing commercial bivalves under laboratory conditions.Fortunately,dwarf surf clam Mulinia lateralis can serve as a model organism for studying marine bivalves given its short generation time,the feasibility of being grown under experimental conditions and the availability of genetic and biological information.Using dwarf surf clam as a model bivalve,we characterize E2F3,a gene that has been found to account for variation in growth in scallops by a previous genome-wide association study,and verify its function in growth regulation through RNA interference(RNAi)experiments.For the first time,E2F3 in dwarf surf clam,which is termed as MulE2F3,is characterized.The results reveal that dwarf surf clams with MulE2F3 knocked down exhibit a reduction in both shell size and soft-tissue weight,indicating the functions of MulE2F3 in positively regulating bivalve growth.More importantly,we demonstrate how dwarf surf clam can be used as a model organism to investigate gene functions in commercial bivalves,shedding light on genetic causes for variation in growth to enhance the efficiency of bivalve farming.

Effect of lipid peroxidation on the allergenicity and functional properties of soybeanβ-conglycinin(7S)and glycinin(11S)

This study aimed to analyze the effect of lipid peroxidation on the allergenicity and functional properties of soybeanβ-conglycinin(7 S)and glycinin(11 S).Oxidation complexes were determined using the lipid peroxidation method.Functional properties were analyzed based on emulsifying and foaming properties.The potential allergenicity was evaluated by in vitro and in vivo methods.The results found that oxidation altered structures of the proteins and resulted in the formation of cross-linked protein polymers.The emulsion and foaming properties of the proteins were improved after oxidation.The IgE-binding capacity of 7 S and11 S reduced after oxidation.KU812 cell assays showed that both histamine and IL-4 release decreased after oxidation treatment.A mouse model showed that oxidation reduced the IgE,IgG,and IgG1 levels,as well as reduced histamine and mMCP-1 release in serum,which might suppress the allergic reaction.In conclusion,the lipid peroxidation treatment likely causes changes to the functional properties of soybean,decreasing the potential allergenicity of 7 S and 11 S.

Experimental Evaluation of Thermal Conductivity and Other Thermophysical Properties of Nanofluids Based on Functionalized (-OH) Mwcnt Nanoparticles Dispersed in Distilled Water

A possible way to increase thermal conductivity of working fluids, while keeping pressure drop at acceptable levels, is through nanofluids. Nanofluids are nano-sized particles dispersed in conventional working fluids. A great number of materials have potential to be used in nanoparticles production and then in nanofluids;one of them is Multi-Walled Carbon Nano Tubes (MWCNT). They have thermal conductivity around 3000 W/mK while other materials used as nanoparticles like CuO have thermal conductivity of 76.5 W/mK. Due to this fact, MWCNT nanoparticles have potential to be used in nanofluids production, aiming to increase heat transfer rate in energy systems. In this context, the main goal of this paper is to evaluate from the synthesis to the experimental measurement of thermal conductivity of nanofluid samples based on functionalized (-OH) MWCNT nanoparticles. They will be analyzed nanoparticles with different functionalization degrees (4% wt, 6% wt, and 9% wt). In addition, it will be quantified other thermophysical properties (dynamic viscosity, specific heat and specific mass) of the synthetized nanofluids. So, the present work can contribute with experimental data that will help researches in the study and development of MWCNT nanofluids. According to the results, the maximum increment obtained in thermal conductivity was 10.65% in relation to the base fluid (water).

High-throughput calculations combining machine learning to investigate the corrosion properties of binary Mg alloys

Magnesium(Mg)alloys have shown great prospects as both structural and biomedical materials,while poor corrosion resistance limits their further application.In this work,to avoid the time-consuming and laborious experiment trial,a high-throughput computational strategy based on first-principles calculations is designed for screening corrosion-resistant binary Mg alloy with intermetallics,from both the thermodynamic and kinetic perspectives.The stable binary Mg intermetallics with low equilibrium potential difference with respect to the Mg matrix are firstly identified.Then,the hydrogen adsorption energies on the surfaces of these Mg intermetallics are calculated,and the corrosion exchange current density is further calculated by a hydrogen evolution reaction(HER)kinetic model.Several intermetallics,e.g.Y_(3)Mg,Y_(2)Mg and La_(5)Mg,are identified to be promising intermetallics which might effectively hinder the cathodic HER.Furthermore,machine learning(ML)models are developed to predict Mg intermetallics with proper hydrogen adsorption energy employing work function(W_(f))and weighted first ionization energy(WFIE).The generalization of the ML models is tested on five new binary Mg intermetallics with the average root mean square error(RMSE)of 0.11 eV.This study not only predicts some promising binary Mg intermetallics which may suppress the galvanic corrosion,but also provides a high-throughput screening strategy and ML models for the design of corrosion-resistant alloy,which can be extended to ternary Mg alloys or other alloy systems.

Impacts of Water-Sediment Regulation Scheme on Chromophoric Dissolved Organic Matter in the Lower Yellow River

As a river with more than 3000 reservoirs in its watershed,the Yellow River has been affected by dams not only on the sediment load,but also on the water quality.Water-sediment regulation scheme(WSRS),which has been carried out annually in the Yellow River since 2002,is a typical human activity affecting river water quality.Chromophoric dissolved organic matter(CDOM)in river is susceptible to changes in ecological and environmental conditions as well as human activities.Here,we report variations in dissolved organic carbon concentrations,compositions and sources of CDOM in time series samples in the lower Yellow River during WSRS.In addition,a parallel factor fluorescence analysis(PARAFAC)method is applied to identify different fluorescent components in water samples during WRSR,showing four major components including tryptophan-like component(C1),microbial humic-like component(C2),terrestrial humic-like component(C3)and tyrosine-like component(C4).In general,C1 increased after water regulation,while C2 and C3 increased after sediment regulation,indicating that the water and sediment released by the dam have different effects on CDOM compositions.Under the impacts of the dam,source of CDOM in the lower Yellow River is mainly autochthonous related to microbial activities,and is regulated by the terrestrial input during WSRS period.Sediment resuspension inhibits microbial activities and reduces the production of autochthonous CDOM.Overall,human activities especially WSRS,as exemplified here,significantly alter the quality and quantity of CDOM in the lower Yellow River,affecting CDOM dynamics and biogeochemical processes in the estuarine environment.

Key Physical Factors Affecting Spatial-temporal Variation of Labile Organic Carbon Fractions by Biochar Driven in Mollisols Region of Northeast China

Biochar is widely used to improve soil physical properties and carbon sequestration. However, few studies focuse on the impact of maize stalk biochar on labile organic carbon(LOC) pool and the relationship between physical properties and LOC fractions. A field positioning experiment was performed in Mollisols region of Northeast China to evaluate the influence of maize stalk biochar on the spatial distribution and temporal changes of physical properties and LOC fractions. Maize stalk biochar treatments included C1(1.5 kg·hm^(-2)), C2(3 kg·hm^(-2)), C3(15 kg·hm^(-2)), C4(30 kg·hm^(-2)), and CK(0). The results showed that maize stalk biochar increased soil water contents(SWC) and soil porosity(SP), but reduced bulk density(BD). Maize stalk biochar reduced dissolved organic carbon(DOC) contents in the 0-20 cm soil layer, ranging from 0.25 g·kg^(-1) to 0.31 g·kg^(-1) in harvest period, while increased in the 20-40 cm soil layer. In addition, the application of biochar had a significant impact on the spatial distribution and temporal change of SWC, BD, SP, DOC, hot-water extractable carbon(HWC), acid hydrolyzed organic carbon(AHC Ⅰ, Ⅱ), and readily oxidized organic carbon(ROC). High amounts of maize stalk biochar up-regulated the contents of soil organic carbon SOC, HWC, AHC Ⅰ, AHC Ⅱ, and ROC. In addition, SWC and SP were the key physical factors to affect LOC fractions. In conclusions, maize stalk biochar could improve physical properties, and then influence LOC fractions, and maize stalk biochar could be used as an organic amendment for restoring degraded soils governed by their rates of addition.

On the Role of Bond Function in Nonlinear Optical Property Calculations for HF,HCI,LiH,H_2O and NH_3

Dond function basis sets have been used to calculate the molecular nonlinear optical properties which include hyperpolarizability βo , polarizability ao , and dipole moment μo for six molecules. The calculations at the fourth-order Moller-Plesset approximation (MP4) have recovered more than 90% of the experimental values βo , comparecl to that as low as 75% by the other authors. The calculated values of αo and iuo are also in good agreement with those of experiments and superior to that from other work. It is shown that the bond functions improve the calculated results at SCF level and especially at the level of the correction of electronic correlation (MP2 and MP4).

GGA + U Study of the Optical Properties of α-BeH2

The optical properties of α-BeH2 in an Orthorhombic crystal structure with the space group (Ibam) are investigated. We have calculated the optical properties including dielelectric function, refractive index and extinction coefficient, using density functional approach. A theoretical explanation of the relationship between the dielectric function and other optical constants has been provided. Furthermore, the real and imaginary components of the dielectric function have been examined. The effects of the exchange-correlation potentials (GGA and GGA + U) applied on this compound’s absorption peaks and edges have also been investigated. It was found that using the GGA + U approximation caused the conduction band to shift, which in turn caused the initial absorption peak to shift.

Influence of Waveguide Properties on Wave Prototypes Likely to Accompany the Dynamics of Four-Wave Mixing in Optical Fibers

In this article, we study the impacts of nonlinearity and dispersion on signals likely to propagate in the context of the dynamics of four-wave mixing. Thus, we use an indirect resolution technique based on the use of the iB-function to first decouple the nonlinear partial differential equations that govern the propagation dynamics in this case, and subsequently solve them to propose some prototype solutions. These analytical solutions have been obtained;we check the impact of nonlinearity and dispersion. The interest of this work lies not only in the resolution of the partial differential equations that govern the dynamics of wave propagation in this case since these equations not at all easy to integrate analytically and their analytical solutions are very rare, in other words, we propose analytically the solutions of the nonlinear coupled partial differential equations which govern the dynamics of four-wave mixing in optical fibers. Beyond the physical interest of this work, there is also an appreciable mathematical interest.

The Function,Future and Support Elements of Farmer Cooperative Economy Organization

The nature of farmer cooperative economy organization( known as FCEO) determines the fact that the economic effects of farmer cooperative economy organization are as important as its social effects. Many experts,however,now would only focus on its economic function, and either neglect or weaken its social influence. Therefore,this paper introduces the theoretical foundation of the farmer cooperative economy organization,and studies the nature of cooperative economics. Based on those typical cases,the future of cooperative organization and four supporting elements were put forward in this paper.

On the Function, Subject, and Capacity of the Religious Property System in China

To construct our religious property system, we must first define its purpose and function, and then clarify the connotation, subject, and capacity of religious property, the premise of which is to scientifically understand the nature, purpose and function of religions. The"religious purpose"of the religious property system is different in its appeal to different subjects: The state, religious groups and believers. For different types of property, religious purposes differ in directness and indirectness, but they are unified in the realization of the basic religious policy of the Party and the state.

Organic geochemical and petrographic characteristics of the Cambrian-Ordovician organic-rich marine shales in Scandinavia

This work used organic geochemistry and organic petrology to study the depositional environment,organic matter characteristics,and thermal maturity of the Cambrian-Ordovician organic-rich marine shales in the Baltic Basin.The main macerals in Cambrian samples include alginite,bituminite and solid bitumen,while zooclastic macerals become the major proportion of organic matter in the Ordovician samples.As the maturity increase,solid bitumen becomes abundant and dispersed.Semifusinite-like maceral was observed only in Furongian of well DBH15/73,which probably indicates the local intrusion of Permo-Carboniferous dolerite dikes.The programmed pyrolysis results show that immature,early mature,and over-mature samples are developed.However,the data of high-uranium Furongian samples were greatly altered by igneous intrusives from local dikes.HIo calculation model is simulated based on pyrolysis data and fitted according to the least-square fitting method.The simulated fitting HIo:400mg HC/g TOC(369.5 mg HC/g TOC,430.5 mg HC/g TOC as 95%confidence bounds)is within the worldwide marine shale HI_(o)and indicates a marine anoxia and transgressive sea with shallow water column(organofacies B).

Low Temperature Heat Capacity of Zn Substituted Cobalt Ferrite Nanosphere:The Relation between Magnetic Properties and Microstructure

Co_((1-x))ZnxFe_(2)O_(4)nanospheres(x=0,0.5,0.8)with a unidirectional cubic spinel structure were prepared by a solvothermal method.By using a range of theoretical and empirical models,the experimental heat capacity values were fitted as a function of temperature over a suitable temperature range to explain the possible relationship between the magnetic properties and microstructure of the nanospheres.As a result,at a low temperature(T<10 K),the parameter Bfswdecreases with increasing Zn concentration,implying that the exchange interaction between A and B sites decreases.At a relatively high temperature(T>50 K),the Debye temperature decreases with increasing Zn concentration,which is due to the weakening of the interatomic bonding force after the addition of non-magnetic materials to the Co Fe_(2)O_(4)spinel ferrite.

Emerging natural hemp seed proteins and their functions for nutraceutical applications

With changing dietary habits and increasing awareness of the nutraceutical role of dietary foods,the demand for natural plant proteins and interest in non-traditional protein sources in the food industry are increasing.Industrial hemp,belonging to the plant family Cannabaceae,is cultivated for its fibre and edible seeds.Due to its nutritional value,it has also been used in the food industry and medicine.In particular,hemp seed proteins have drawn considerable attention in both scientific and industrial fields because of their excellent nutraceutical values,superior digestibility,low allergenicity and diverse techno-functional properties.In this review,we provide a summary of the current research progress on the extraction and purification processes,physiochemical properties,nutraceutical functions,and applications of hemp seed proteins.Perspectives in the application of advanced technologies for hemp seed bioactive peptide mining are also discussed.This review provides up-to-date insights into the nutraceutical values,health benefits,and future applications of this emerging plant source protein.

Rational design, synthesis and prospect of biodegradable magnesium alloy vascular stents

Biodegradable magnesium(Mg) alloys are expected to be promising materials for cardiovascular stents(CVS), which can avoid the longterm clinical problems of current CVS, such as in-stent restenosis, late stent thrombosis, etc. Mg alloy stents exhibit superior biocompatibility and tunable biodegradability, compared with conventional permanent metallic stents. However, the poor formability and non-uniform corrosion of Mg alloy stents hinder their clinical application of CVS. This review focuses on the development of Mg alloys for CVS in recent years.According to the results of bibliometric analysis, we analyzed different biodegradable Mg alloy systems. Moreover, the structural design strategies for Mg alloy stents that can reduce the stress concentration, as well as the surface modification methods to control the corrosion behavior and biological performance of Mg alloy stents are also highlighted. At last, this review systematically discussed the potential directions and challenges of biodegradable magnesium stents(BMgS) in cardiovascular fields.