Role of methoxy and C_(α)-based substituents in electrochemical oxidation mechanisms and bond cleavage selectivity of β-O-4 lignin model compounds

In order to better understand the specific substituent effects on the electrochemical oxidation process of β-O-4 bond, a series of methoxyphenyl type β-O-4 dimer model compounds with different localized methoxyl groups, including 2-(2-methoxyphenoxy)-1-phenylethanone, 2-(2-methoxyphenoxy)-1-phenylethanol, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanol, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanol have been selected and their electrochemical properties have been studied experimentally by cyclic voltammetry, and FT-IR spectroelectrochemistry. Combining with electrolysis products distribution analysis and density functional theory calculations, oxidation mechanisms of all six model dimers have been explored. In particular, a total effect from substituents of both para-methoxy(on the aryl ring closing to Cα) and Cα-OH on the oxidation mechanisms has been clearly observed, showing a significant selectivity on the Cα-Cβbond cleavage induced by electrochemical oxidations.

Crosslinking Mechanism of Soy Protein-based Adhesives based on Glyoxal and a Compound of Protein Model

The crosslinking mechanism of glyoxal and asparagine was analyzed,and the relationship between the mechanism and practical performances of soy protein-based adhesives was also discussed.It is shown that when pH=1 and 3,glyoxal reacted with asparagine in the form of major cyclic ether compounds.When pH=5,glyoxal reacted with asparagine in two structural forms of sodium glycollate and cyclic ether compounds.However,amidogens of asparagine were easy to develop protonation under acid conditions.Supplemented by the instability of cyclic ether compounds,the reaction activity and reaction degree between glyoxal and asparagine were relatively small.Under alkaline conditions,glyoxal mainly reacted with asparagine in the form of sodium glycollate.With the increase of pH,the polycondensation was more sufficient and the produced polycondensation products were more stable.The reaction mechanism between glyoxal and asparagine had strong correspondence to the practical performances of the adhesives.Glyoxal solution could develop crosslinking reactions with soy protein under both acid and alkaline conditions.Bonding strength and water resistance of the prepared soy protein-based adhesives were increased significantly.When pH>7,glyoxal had relatively high reaction activity and reaction intensity with soy protein,and the prepared adhesives had high crosslinking density and cohesion strength,showing relatively high bonding strength,water resistance and thermal stability.

Persymmetric adaptive polarimetric detection of subspace range-spread targets in compound Gaussian sea clutter

This paper focuses on the adaptive detection of range and Doppler dual-spread targets in non-homogeneous and nonGaussian sea clutter.The sea clutter from two polarimetric channels is modeled as a compound-Gaussian model with different parameters,and the target is modeled as a subspace rangespread target model.The persymmetric structure is used to model the clutter covariance matrix,in order to reduce the reliance on secondary data of the designed detectors.Three adaptive polarimetric persymmetric detectors are designed based on the generalized likelihood ratio test(GLRT),Rao test,and Wald test.All the proposed detectors have constant falsealarm rate property with respect to the clutter texture,the speckle covariance matrix.Experimental results on simulated and measured data show that three adaptive detectors outperform the competitors in different clutter environments,and the proposed GLRT detector has the best detection performance under different parameters.

EXPECTED PRESENT VALUE OF TOTAL DIVIDENDS IN THE COMPOUND BINOMIAL MODEL WITH DELAYED CLAIMS AND RANDOM INCOME

In this paper, a compound binomial model with a constant dividend barrier and random income is considered. Two types of individual claims, main claims and by-claims, are defined, where every by-claim is induced by the main claim and may be delayed for one time period with a certain probability. The premium income is assumed to another binomial process to capture the uncertainty of the customer＇s arrivals and payments. A system of difference equations with certain boundary conditions for the expected present value of total dividend payments prior to ruin is derived and solved. Explicit results are obtained when the claim sizes are Kn distributed or the claim size distributions have finite support. Numerical results are also provided to illustrate the impact of the delay of by-claims on the expected present value of dividends.

Hydrogen production via steam reforming of bio-oil model compounds over supported nickel catalysts

The steam reforming of four bio-oil model compounds（acetic acid,ethanol,acetone and phenol） was investigated over Ni-based catalysts supported on Al2O3 modified by Mg,Ce or Co in this paper.The activation process can improve the catalytic activity with the change of high-valence Ni（Ni2O3,NiO） to low-valence Ni（Ni,NiO）.Among these catalysts after activation,the Ce-Ni/Co catalyst showed the best catalytic activity for the steam reforming of all the four model compounds.After long-term experiment at 700°C and the S/C ratio of 9,the Ce-Ni/Co catalyst still maintained excellent stability for the steam reforming of the simulated bio-oil（mixed by the four compounds with the equal masses）.With CaO calcinated from calcium acetate as CO2 sorbent,the catalytic steam reforming experiment combined with continuous in situ CO2 adsorption was performed.With the comparison of the case without the adding of CO2 sorbent,the hydrogen concentration was dramatically improved from 74.8% to 92.3%,with the CO2 concentration obviously decreased from 19.90% to 1.88%.

RUIN PROBABILITY IN THE CONTINUOUS-TIME COMPOUND BINOMIAL MODEL WITH INVESTMENT

This article deals with the problem of minimizing ruin probability under optimal control for the continuous-time compound binomial model with investment. The jump mechanism in our article is different from that of Liu et al [4]. Comparing with [4], the introduction of the investment, and hence, the additional Brownian motion term, makes the problem technically challenging. To overcome this technical difficulty, the theory of change of measure is used and an exponential martingale is obtained by virtue of the extended generator. The ruin probability is minimized through maximizing adjustment coefficient in the sense of Lundberg bounds. At the same time, the optimal investment strategy is obtained.

Immobilized laccase on magnetic nanoparticles for enhanced lignin model compounds degradation

As a natural aromatic polymer,lignin has great potential but limited industrial application due to its complex chemical structure.Among strategies for lignin conversion,biodegradation has attracted promising interest recently in term of efficiency,selectivity and mild condition.In order to overcome the issues of poor stability and non-reusability of enzyme in the biodegradation of lignin,this work explored a protocol of immobilized laccase on magnetic nanoparticles(MNPs)with rough surfaces for enhanced lignin model compounds degradation.Scanning electron microscope with energy dispersive spectrometer(SEM-EDS),flourier transformation infrared spectroscopy(FTIR)and thermal gravimetric analysis(TGA)were utilized to characterize the immobilization of laccase.The results showed a maximum activity recovery of 64.7%towards laccase when it was incubated with MNPs and glutaraldehyde(GA)with concentrations of 6 mg·ml^-1and 7.5 mg·ml^-1for 5 h,respectively.The immobilized laccase showed improved thermal stability and pH tolerance compared with free laccase,and remained more than 80%of its initial activity after 20 days of storage at 4℃.In addition,about 40%residual activity of the laccase remained after 8 times cycles.Gas chromatography–mass spectrometry(GC–MS)was utilized to characterize the products of lignin model compound degradation and activation,and the efficiency of immobilized laccase was calculated to be 1–5 times that of free laccase.It was proposed that the synergistic effect between MNPs and laccase displays an important role in the enhancement of stability and activity in lignin model compound biodegradation.

Study on reaction characteristics of phenolic hydroxyl in coal by using the model compound during direct coal liquefaction

The reaction characteristics of phenolic hydroxyl group were studied under the conditions of direct coal liquefaction. 2-naphthol was used as a coal model compound in this study. Under the conditions of with and without catalysts, a series of experiments were conducted at different temperatures, pressures and reaction time. Gas chromatography-mass spectrometry and gas chromatography were used to identify and quantify the reactants and products respectively. The conversion of 2-naphthol rises with the increase of reaction temperature, initial pressure and catalyst amount. The results indicated that tem- perature had a significant effect on 2-naphthol conversion, which promoted the dehydroxylation reaction. However, initial pressure had an important influence on the hydrogenation of 2-naphthol and naphthalene. The iron catalyst plays a significant role of cracking instead of hydrogenation. It is concluded that the harsh reaction conditions of high temperature, high pressure, and more catalyst are conducive to promoting dehydroxylation of 2-naphthol. The reaction mechanism was put forward based the experimental results, in which 2-tetralone was an intermediate.

On two actuarial quantities for the compound Poisson risk model with tax and a threshold dividend strategy

In this paper, we consider a compound Poisson risk model with taxes paid according to a loss-carry-forward system and dividends paid under a threshold strategy. First, the closed-form expression of the probability function for the total number of taxation periods over the lifetime of the surplus process is derived. Second, analytical expression of the expected accumulated discounted dividends paid between two consecutive taxation periods is provided. In addition, explicit expressions are also given for the exponential individual claims.

Degradation of lignite model compounds by the action of white rot fungi

Three compounds modeled on the lignite structure were chosen for experimental degradation by different fungi strains. Culture conditions and extracellular enzyme activities were optimized. The growth curves of the strains were determined to study mycelium dry weight and protein content changes. Gas chromatography and infrared spectroscopy were used to detect changes of functional groups before and after the action of the fungi on the model compounds. Possible decomposition products and degrada-tion mechanisms were proposed. The research findings show that C. Versicolor and Golden Mushroom can grow in presence of the model compounds. The optimum culture conditions were a pH of 6.0, a carbon-nitrogen ratio of five and a Tween-80 concentration of 0.1%. Newly produced substances were found by gas chromatography. Infrared analysis showed that the model compounds degraded under the action of the microorganisms.

Kinetic Modelling of Degradation of Organic Compounds in Soils

A set of equations is suggested to describe the kinetics of degradation of organic compounds applied tosoils and the kinetics of growth of the involved microorganisme:where x is the concentration of organic compound at time t, m is the number of forcroorganisms capableof degrading the organic compound at time t, while j, k, f and g are positive constaats. This model cansatisfactorily be used to explain the degradation curve of organic compounds and the growth curve of theinvolved microorganisms.

Description of adsorption of hydrophobic organic compounds on sediment using multi-component adsorption model

A chemical sequential separation procedure for sediment has been developed for the adsorptive investigation of hydrophobic organic compounds(HOCs) including four fractions: carbonate, hydrous metallic oxide(ferric oxide, manganese oxide and alumina), clay and organic matter. Adsorption isotherms of these hydrophobic solute probes, such as hexachloroethane, lindane and 1,2,4,5 tetrachlorobenzene were measured for model sorbents, model and natural sediment, and the latter of which was pretreated with the simplified sequential separation method. The linear and Langmuir models are applied to correlate the experimental data of humic substance and other model sorbents respectively. Multi component Adsorptive Model (MCAM) was used to simulate adsorption isotherms of model and natural sediment. The results reveal that(1) the separation efficiencies of carbonate, organic matter, ferric oxide, manganese oxide and alumina are 98.1%, 72.5%, 82.6%, 93.5% and 83.3%, respectively; (2) except for removing metallic oxide, the external structure of sediment is not changed greatly after separation; (3) the MCAM correlates the data of adsorption isotherm rather well with the maximal relative deviations of 9.76%, 6.78% and 9.53% for hexachloroethane, lindane and 1,2,4,5 tetrachlorobenaze in model sediment, respectively. The MCAM can clearly give expression to the different adsorptive mechanisms for HOCs in organic and inorganic matter, though the experimental data in each component are not very accurate due to the sequential separation efficiency.

Compound Danshen tablets downregulate amyloid protein precursor mRNA expression in a transgenic cell model of Alzheimer's disease Effects and a comparison with donepezil

After gene mutation, the pcDNA3.1/APP595/596 plasmid was transfected into HEK293 cells to establish a cell model of Alzheimer＇s disease. The cell model was treated with donepezil or compound Danshen tablets after culture for 72 hours. Reverse transcription-PCR showed that the mRNA expression of amyloid protein precursor decreased in all groups following culture for 24 hours, and that there was no significant difference in the amount of decrease between donepezil and compound Danshen tablets. Our results suggest that compound Danshen tablets can reduce expression of the mRNA for amyloid protein precursor in a transgenic cell model of Alzheimer＇s disease, with similar effects to donepezil.

Catalytic cracking mechanisms of tar model compounds

B3LYP/6-31G(d,p) method was used to investigate the catalytic cracking mechanism of biomass tar model compound.Phenol,toluene and benzene were selected as the tar model compounds and CaO was selected as the catalyst.The pathways of tar compound radical absorbed by CaO were determined firstly through comparing enthalpy changes of the absorption,and then Mulliken population changes were analyzed.The results show that the absorption of tar model compound radical and CaO is an exothermic reaction.Formation of C—O—Ca is more easily than that of C—Ca—O and formation of Caromatic—Caromatic—Ca—O is more easily than that of Caromatic—C(O)—Ca—O.The C—C bond Mulliken populations in tar model compound radicals are reduced by 11.9%,10.5% and 15.5% in the case of a hydrogen atom removed,and those are 15.7%,14.3% and 16.3% in the case of two hydrogen atoms removed through the absorption of CaO.Catalytic ability of CaO acting on the tar model compound is in an order of phenol>benzene>toluene.

Electrolytic reduction of Nantong coal and model compounds with oxygenic functional groups in an aqueous NaCl solution

Electrolytic reductions of oxygenic functional groups (OFGs) on coal surface and coal model compounds with OFGs in an aqueous NaCl solution are studied by electrochemical methods combined with GC/MS, GC and FTIR analyses. Different electrode reactions, their corresponding potentials and dynamic equations during the processes are investigated. The results show that benzoic acid, benzaldehyde, benzalcohol and hypnone are reduced to benzaldehyde and benzalcohol, methoxybenzene and benzalcohol, toluene and styrene, respectively, at the cathode. The corresponding electrode potentials and dynamic equations are determined. The electrolytic reduction also leads to an increase in the contents of hydroxyl groups and aliphatic moieties and a corresponding decrease in those of carboxyl and carbonyl groups in Nantong coal, a high-sulfur coal, an enhancement in the flotation desulfurization of the coal. ER also reduces organic sulfur and FeS2 in the coal.

Joint and supremum distributions in the compound binomial model with Markovian environment

In this paper, we study the compound binomial model in Markovian environment, which is proposed by Cossette, et al. （2003）. We obtain the recursive formula of the joint distributions of T, X（T - 1） and ｜X（T）｜（i.e., the time of ruin, the surplus before ruin and the deficit at ruin） by the method of mass function of up-crossing zero points, as given by Liu and Zhao （2007）. By using the same method, the recursive formula of supremum distribution is obtained. An example is included to illustrate the results of the model.

Optimal Dividend Problem for a Compound Poisson Risk Model

In this note we study the optimal dividend problem for a company whose surplus process, in the absence of dividend payments, evolves as a generalized compound Poisson model in which the counting process is a generalized Poisson process. This model includes the classical risk model and the Pólya-Aeppli risk model as special cases. The objective is to find a dividend policy so as to maximize the expected discounted value of dividends which are paid to the shareholders until the company is ruined. We show that under some conditions the optimal dividend strategy is formed by a barrier strategy. Moreover, two conjectures are proposed.

THE SYNTHESIS AND CRYSTAL STRUCTURE OF B-(32) MODEL COMPOUND: 1-C_4H_9Co(salen)(Py)

The title complex i-C_4H_9Co(salen)(Py) (Py=pyridine. salen=dianion of disalicylideneethylenediamine) has been first synthesized. Its crystal structure has been determined by X-ray diffraction method. The crystsis are monoclinic with space group P2_1/ C. The unit cell parametes are presented. The structure has been refined to a final R of 0.038.

Simple analytical model for depth-averaged velocity in meandering compound channels

A simple but applicable analytical model is presented to predict the lat- eral distribution of the depth-averaged velocity in meandering compound channels. The governing equation with curvilinear coordinates is derived from the momentum equation and the flow continuity equation under the condition of quasi-uniform flow. A series of experiments are conducted in a large-scale meandering compound channel. Based on the experimental data, a magnitude analysis is carried out for the governing equation, and two lower-order shear stress terms are ignored. Four groups of experimental data from different sources are used to verify the predictive capability of this model, and good predictions are obtained. Finally, the determination of the velocity parameter and the limitation of this model are discussed.

Comparative study of four QSAR models of aromatic compounds to aquatic organisms

Quantitative structure activity relationships(QSARs)were developed for 43 aromatic compounds toxicity to Photobacterium phosphoreum and Daphnia magna based on four methods: octanol/water partition coefficient, linear solvation energy relationship, molecular connectivity index and group contribution. Through the evaluation of four QSAR methods, LSER was proved to be the best. And it applied to the widest range of chemicals with the greatest accuracy.