论“中国教育学现象”

本文通过简要反思中国教育学发展历程，揭示了“中国教育学现象”背后的方法论和认识论偏向。认为，“被教育学化”、“教科书化”、“体系化”是中国教育学起步时的原初特点。这也是当今教育学研究中的一种偏好和追求。产生这种倾向的原因之一是由于意识形态的泛化和理性批判精神的丧缺。本文认为，教育理论是“选择性”理论，正视意识形态的存在，面对教育现实问题进行理性的选择。

Modeling commuters' route choice behavior under pre-trip information system

Research about the auto commuter＇s pre-trip route choice behavior ignores the combined influence of the real-time information and all respondents＇ historical information in the existing documents.To overcome this shortcoming,an approach to describing the pre-trip route choice behavior with the incorporation of the real-time and historical information is proposed.Two types of real-time information are investigated,which are quantitative information and prescriptive information.By using the bounded rationality theory,the influence of historical information on the real-time information reference process is examined first.Estimation results show that the historical information has a significant influence on the quantitative information reference process,but not on the prescriptive information reference process.Then the route choice behavior is modeled.A comparison is also made among three route choice models,one of which does not incorporate the real-time information reference process,while the others do.Estimation results show that the route choice behavior is better described with the consideration of the reference process of both quantitative and prescriptive information.

Adsorption of NO and NH_3 over CuO/γ-Al_2O_3 catalyst

The selective catalytic reduction reaction belongs to the gas-solid multiphase reaction, and the adsorption of NH3 and NO on CuO/γ-Al2O3 catalysts plays an important role in the reaction. Performance of the CuO/γ-Al2O3 catalysts was explored in a fixed bed adsorption system. The catalysts maintain nearly 100% NO conversion efficiency at 350℃. Comprehensive tests were carried out to study the adsorption behavior of NH3 and NO over the catalysts. The desorption experiments prove that NH3 and NO are adsorbed on CuO/γ-Al2O3 catalysts. The adsorption behaviors of NH3 and NO were also studied with the in-situ diffusion reflectance infrared Fourier transform spectroscopy methods. The results show that NH3 could be strongly adsorbed on the catalysts, resulting in coordinated NH3 and NH4＋. NO adsorption leads to the formation of bridging bidentate nitrate, chelating bidentate nitrate, and chelating nitro. The interaction of NH3 and NO molecules with the Cu2＋ present on the CAl2O3 （100） surface was investigated by using a periodic density functional theory. The results show that the adsorption of all the molecules on the Cu2＋ site is energetically favorable, whereas NO bound is stronger than that of NH3 with the adsorption site, and key information about the structural and energetic properties was also addressed.

DFT Study on the Catalytic Role ofα-MoC(100)in Methanol Steam Reforming

In this work,we investigated the methanol steam reforming(MSR)reaction(CH_(3)OH+H_(2)O→CO_(2)+3H_(2))catalyzed byα-MoC by means of density functional theory calculations.The adsorption behavior of the relevant intermediates and the kinetics of the elementary steps in the MSR reaction are systematically investigated.The results show that,on theα-MoC(100)surface,the O−H bond cleavage of CH3OH leads to CH3O,which subsequently dehydrogenates to CH_(2)O.Then,the formation of CH_(2)OOH between CH_(2)O and OH is favored over the decomposition to CHO and H.The sequential dehydrogenation of CH_(2)OOH results in a high selectivity for CO_(2).In contrast,the over-strong adsorption of the CH_(2)O intermediate on theα-MoC(111)surface leads to its dehydrogenation to CO product.In addition,we found that OH species,which is produced from the facile water activation,help the O−H bond breaking of intermediates by lowering the reaction energy barrier.This work not only reveals the catalytic role played byα-MoC(100)in the MSR reaction,but also provides theoretical guidance for the design ofα-MoC-based catalysts.

Influence of surface strain on activity and selectivity of Pd-based catalysts for the hydrogenation of acetylene: A DFT study

The effects of surface strain and subsurface promoters, which are both important factors in heterogeneous catalysis, on catalytic selectivity and activity of Pd are examined in this study by considering the selective hydrogenation of acetylene as an example. Combined density functional theory calculations and microkinetic modeling reveal that the selectivity and activity of the Pd catalyst for acetylene hydrogenation can both be substantially influenced by the effects of Pd lattice strain variation and subsurface carbon species formation on the adsorption properties of the reactants and products. It is found that the adsorption energies of the reactants and products are, in general, linearly scaled with the lattice strain for both pristine and subsurface carbon atom-modified Pd（111） surfaces, except for the adsorption of C_2H_2 over Pd（111）-C. The activity for ethylene formation typically corresponds to the region of strong reactants adsorption in the volcano curve; such an effect of lattice strain and the presence of subsurface promoters can improve the activity of the catalyst through the weakening of the adsorption of reactants. The activity and selectivity for Pd（111）-C are always higher than those for the pristine Pd（111） surfaces with respect to ethylene formation. Based on the results obtained, Pd-based catalysts with shrinking lattice constants are suggested as good candidates for the selective hydrogenation of acetylene. A similar approach can be used to facilitate the future design of novel heterogeneous catalysts.

Desulfurization Mechanism of Cysteine in Synthesis of Polypeptides

The free-radical-based selective desulfurization of cysteine residue is an efficient protocol to achieve ligations at alanine sites in the synthesis of polypeptide and proteins. In this work, the mechanism of desulfurization process has been studied using the density functional theory methods. According to the calculation results, the desulfurization of the thiol group occurs via a three-steps mechanism： the abstraction of hydrogen atom on the thiol group with the radical initiator VA-044 （2,2＇-azobis[2-（2-imidazolin-2-yl）propane]dihydrochloride）, the removal of S atom under the reductant TCEP （tris（2-carboxyethyl）phosphine）, and the formation of RH molecule （with the regeneration of RS radical）. The second step （desulfurization step） is the rate-determining step, and the adduct t-BuSH facilitates the desulfurization of cysteine via benefiting the formation of the precursor of the desulfurization step.

DFT studies on the SCR reaction mechanism of nitrogen monoxide with propylene catalyzed by copper oxide

The SCR reaction mechanism of NO with C3H6catalyzed by CuO was studied by the method of Density Functional Theory(DFT)at the B3LYP/LanL2DZ levels.The optimized geometries of the stationary points on the potential surface were obtained and the transition state was confirmed by IRC and vibration analysis.The activation energy was calculated being 34.26 kJ/mol.It was shown that propylene reacted firstly with Cu forming intermediate,and then nitrogen monoxide immediately reacted with the intermediate to be reduced.It was proved to be a direct interaction mechanism.

Theoretical Study of Mechanism and Regioselectivity of 1,3-dipolar Cycloaddition of N-[methyl]-C-[5-nitro-2-furyl] Nitrilimine with Dimethyl 7-oxabicyclo[2,2,1]hepta-2,5-diene-2,3-dicarboxylate

The mechanism and regioselectivity of 1,3-dipolar cycloaddition of N-[methyl]-C-[5-nitro-2-furyl] nitrilimine with dimethyl 7-oxabicyclo[2,2,1]hepta-2,5-diene-2,3-dicarboxylate were investigated using activation energy calculations and density functional theory-based reactivity indexes. The reaction proceeds by an asynchronous concerted mechanism. The calculations are performed at the B3LYP/6-31G（d） level of theory and the obtained results are in agreement with experimental outcome.

A Nonlinear Interval Portfolio Selection Model and Its Application in Banks

In classical Markowitz＇s Mean-Variance model, parameters such as the mean and covari- ance of the underlying assets＇ future return are assumed to be known exactly. However, this is not always the case. The parameters often correspond to quantities that fall within a range, or can be known ambiguously at the time when investment decision must be made. In such situations, investors determine returns on investment and risks etc. and make portfolio decisions based on experience and economic wisdom. This paper tries to use the concept of interval numbers in the fuzzy set theory to extend the classical mean-variance portfolio selection model to a mean-downside semi-variance model with consideration of liquidity requirements of a bank. The semi-variance constraint is employed to control the downside risk, filling in the existing interval portfolio optimization model based on the linear semi-absolute deviation to depict the downside risk. Simulation results show that the model behaves robustly for risky assets with highest or lowest mean historical rate of return and the optimal investment proportions have good stability. This suggests that for these kinds of assets the model can reduce the risk of high deviation caused by the deviation in the decision maker＇s experience and economic wisdom.

Sexual selection and hermaphroditic organisms： Testing theory

Sexual selection is widespread if not ubiquitous in hermaphroditic organisms. Although many phenomena that have been described as sexual selection in gonochores, （e.g. harem polygamy, multiple mating, elaborate courtship, even secondary sexual characters） can be found in some hermaphrodites, what is more interesting is the ways in which sexual selection in her- maphrodites may differ from dioecious taxa. In hermaphrodites, an individual＇s mating success includes its success from both sexual roles. Secondly, in many simultaneously hermaphroditic taxa there is strong evidence of sexual selection and yet the ope- rational sex ratio is 1：1, by definition. Many simultaneous hermaphrodites have elaborate courtship and genital anatomy, suggest- ing sexual selection plays an important role in reproductive success. Sperm competition and cryptic female choice mean that the number of mates acquired is not necessarily a predictor of reproductive success. Even in simultaneous hermaphrodites with re- ciprocal mating, variance in reproductive success through the male role and through the female role may differ in a population. Moreover hermaphrodites may choose to emphasize one sexual role over the other. Data suggest that the preferred role varies in hermaphrodites, which creates an opportunity to test fundamental predictions and assumptions of sexual selection theory. Hermaphrodites may vary their emphasis on one sexual role over the other either developmentally or behaviorally in response to environmental or social parameters. How they use this capability in acquiring more or higher quality mates still requires study

Theoretical studies on selectivities in the Staudinger reaction of vicinal diimines and ketenes

The selectivities, including peri-, regio-, and diastereoselectivities, in the Staudinger reaction involving vicinal diimines and ketenes were investigated theoretically via the density functional theory （DFT） calculation. The results indicate that vicinal diimines prefer stepwise [2＋2] cycloaddition rather than [2＋4] cycloaddition to generate cis-4-imino-β-lactams. The diimines attack the less sterically hindered exo-side of ketenes to generate zwitterionic intermediates, which directly undergo a conrota- tory ring closure to produce cis-4-imino-β-lactams whatever diimines with less or more bulky N-substituents. For unsymmetric vicinal ketoaldehyde-derived diimines, their ketimines attack the exo-side of ketenes and undergo a conrotatory ring closure to produce cis-4-aldimino-β-lactams due to less steric effect. The current theoretical studies provide very important information for in-depth understanding of the selective formation of mono-cis-β-lactams from vicinal diimines and ketenes.

Selective photocatalytic CO2 reduction over Zn-based layered double hydroxides containing tri or tetravalent metals

Photocatalytic CO2 reduction holds promise as a future technology for the manufacture of fuels and commodity chemicals.However,factors controlling product selectivity remain poorly understood.Herein,we compared the performance of a homologous series of Zn-based layered double hydroxide(ZnM-LDH)photocatalysts for CO2 reduction.By varying the trivalent or tetravalent metal cations in the ZnM-LDH photocatalysts(M=Ti4+,Fe3+,Co3+,Ga3+,Al3+),the product selectivity of the reaction could be precisely controlled.ZnTi-LDH afforded CH4 as the main reduction product;ZnFe-LDH and ZnCo-LDH yielded H2 exclusively from water splitting;whilst ZnGa-LDH and ZnAl-LDH generated CO.In-situ diffuse reflectance infrared measurements,valence band XPS and density function theory calculations were applied to rationalize the CO2 reduction selectivities of the different ZnM-LDH photocatalysts.The analyses revealed that the d-band center(ed)position of the M3+or M4+cations controlled the adsorption strength of CO2 and thus the selectivity to carbon-containing products or H2.Cations with d-band centers relatively close to the Fermi level(Ti4+,Ga3+and Al3+)adsorbed CO2 strongly yielding CH4 or CO,whereas metal cations with d-band centers further from the Fermi level(Fe3+and Co3+)adsorbed CO2 poorly,thereby yielding H2 only(from water splitting).Our findings clarify the role of trivalent and tetravalent metal cations in LDH photocatalysts for the selective CO2 reduction,paving new ways for the development of improved LDH photocatalyst with high selectivities to specific products.

A DISSOLVED-POINT STUDY ON LOCALIZATION & GLOBALIZATION OF ENGLISH TEACHING

The paper regards young adult literature (YAL) as a dissolved-point between localization and globalization of English teaching, and discusses (1) whether the western YAL teaching theories, methods and teaching materials accord with Chinese actual situation well or not, (2) if YAL reading is an effective way for creating life-long readers, and (3) why and how to teach YAL. Based on YAL learning and teaching practice, the author uses Soter's YAL theories and alternative approaches, try to clarify three relationships: YA-YAL; adult literature-YAL-children's literature; classics-YAL balance. And put forward three ways for books selection and three reading patterns to YAL teaching.