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First principles study of Fenton reaction catalyzed by FeOCl:reaction mechanism and location of active site

Rare Metals 2019年第8期38卷 783-792页

作者： Xuan-Xuan Ji hai-Feng wang Pei-Jun Hu Key Laboratory for Advanced Materials Research Institute of Industrial Catalysis and Centre for Computational Chemistry School of Chemical and Molecular Engineering East China University of Science and Technology Shanghai 200237 China School of Chemistry and Chemical Engineering The Queen’s University of Belfast Belfast BT9 5AZ UK

Fe-based solid catalysts in promoting Fenton reaction to generate ·OH radical has drawn much attention,and interestingly,FeOCl was reported to have superior activity compared with the traditional Fe2 O3 ***,the mechanism of Fenton reaction on FeOCl and the origin of high activity remain ***,by virtue of DFT+ U calculations,the H2 O2 decomposition and conversion mechanism on FeOCl(100)surface were systematically *** is found that on clean FeOCl(100)surface,the exposed[Fe^3+-Fe^3+]sites can hardly break O-O bond of H2 O2 into OH groups,but instead H2 O2 tends to dehydrogenate by the surface lattice O,resulting in a series of side reactions and final conversion into O2,while the left H atoms gradually saturate the surface lattice O and reduce Fe^3+ into Fe^2+.On fully H-covered FeOCl(100),H2O2 can efficiently dissociate at[Fe^2+-Fe^2+]sites into two OH,but OH binds with Fe^2+ so strongly that it cannot desorb as OH radical as easily as that on Fe^3+.Interestingly,FeOCl(100)tends to be partially protonated in the real acid solution,which,along with H2 O2 dehydrogenation,results in the formation of active unit [Fe^2+-Fe^3+].On[Fe^2+-Fe^3+]unit,H2 O2 can easily break its O-O bond and OH at Fe3+ can desorb as OH radical,while the other OH at Fe^2+ couples with the surface H into H2O and finish the catalytic *** comparison,Fe2 O3(012)cannot provide enough [Fe^2+-Fe^3+] active units due to the relative difficulty in H2 O2 dehydrogenation,which accounts for its inferior catalytic efficiency for Fenton reaction.

关键词： Fenton reaction FeOCl Density functional theory H2O2 Active site

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Role of Arabidopsis RAP2.4 in Regulating Light-and Ethylene-Mediated Developmental Processes and Drought Stress Tolerance

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Molecular Plant 2008年第1期1卷 42-57页

作者： Rong-Cheng Lin Hee-Jin Park hai-Yang wang Boyce Thompson Institute for Plant Research Cornell University Ithaca NY 14853 USA

Light and the plant hormone ethylene regulate many aspects of plant growth and development in an overlapping and interdependent fashion. Little is known regarding how their signal transduction pathways cross-talk to regulate plant development in a coordinated manner. Here, we report functional characterization of an AP2/DREB-type transcription factor, Arabidopsis RAP2.4, in mediating light and ethylene signaling. Expression of the RAP2.4 gene is down-regulated by light but up-regulated by salt and drought stresses. RAP2.4 protein is constitutively targeted to the nucleus and it can bind to both the ethylene-responsive GCC-box and the dehydration-responsive element （DRE）. We show that RAP2.4 protein possesses an intrinsic transcriptional activation activity in yeast cells and that it can activate a reporter gene driven by the DRE cis-element in Arabidopsis protoplasts. Overexpression of RAP2.4 or mutation in RAP2.4 cause altered expression of representative light-, ethylene-, and drought-responsive genes. Although no salient phenotype was observed with a rap2.4 loss-of-function mutant, constitutive overexpression of RAP2.4 results in defects in multiple developmental processes regulated by light and ethylene, including hypocotyl elongation and gravitropism, apical hook formation and cotyledon expansion, flowering time, root elongation, root hair formation, and drought tolerance. Based on these observations, we propose that RAP2.4 acts at or downstream of a converging point of light and ethylene signaling pathways to coordinately regulate multiple developmental processes and stress responses.

关键词： RAP2.4 transcription factor light signaling ethylene response drought tolerance.

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Schemes for Generating Different Nonlinear Schrodinger Integrable Equations and Their Some Properties

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Acta Mathematicae Applicatae Sinica 2022年第3期38卷 579-600页

作者： Yu-feng ZHANG hai-feng wang Na BAI School of Mathematics China University of Mining and TechnologyXuzhou 221116China School of Computer Science and Technology China University of Mining and TechnologyXuzhou 221116China

In the paper,we want to derive a few of nonlinear Schrodinger equations with various formats and investigate their properties,such as symmetries,single soliton solutions,multi-soliton solutions,and so *** of all,we propose an efficient and straightforward scheme for generating nonisospectral integrable hierarchies of evolution equations for which a generalized nonisospectral integrable Schrodinger hierarchy(briefly GNISH)singles out,from which we get a derivative nonlinear Schrodinger equation,a generalized nonlocal Schrodinger integrable system and furthermore we investigate the symmetries and conserved qualities of the ***,we apply the dbar method to obtain a generalized nonlinear Schr?dinger-Maxwell-Bloch(GNLS-MB)equation and its hierarchy by introducing a generalized Zakhrov-Shabat spectral problem,whose soliton solutions and gauge transformations are obtained.

关键词： nonisospectral integrable hierarchy Schroodinger equation symmetry

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Testing results analysis of contact materials’electrical contact performance

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Journal of Zhejiang University-Science A(Applied Physics & Engineering) 2007年第3期8卷 459-463页

作者： wang Jing-qin wang hai-tao WEN Ming ZHU Yan-cai Institute of Electrical Apparatus Hebei University of Technology Tianjin 300130 China

Because of the different ways in which contact materials work, the basic requirements for silver metal oxide contact materials are different. They are anti-welded and anti-erosion when closed, anti-erosion when broken, and arc easily moved and have smaller contact resistance. In this paper, La2O3 is used as a stable oxide in contact material to replace CdO. A new type of Ag/SnO2-La2O3-Bi2O3 contact material is first obtained through using powder metallurgical method. Then electrical contact material parameter tester is used to test the electrical contact performance of the contact material. Through experiments, the arcing voltage and current curves, arcing energy curves, fusion power curves while broken and contact resistance while closed were obtained. Analysis of the results showed that the addition of La2O3 makes the contact material have the following advantages: smaller electrical wear, smaller arc energy, smaller contact resistance and arc is more easily extinguished.

关键词： Ag/SnO2-La2O3-Bi2O3 Contact materials Electrical contact performance

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EEG-based Emotion Recognition Using Multiple Kernel Learning

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Machine Intelligence Research 2022年第5期19卷 472-484页

作者： Qian Cai Guo-Chong Cui hai-Xian wang School of Statistics and Data Science Nanjing Audit UniversityNanjing 211815China Key Laboratory of Child Development and Learning Science of Ministry of Education School of Biological Science&Medical EngineeringSoutheast UniversityNanjing 210096China Institute of Artificial Intelligence of Hefei Comprehensive National Science Center Hefei 230094China

Emotion recognition based on electroencephalography(EEG)has a wide range of applications and has great potential value,so it has received increasing attention from academia and industry in recent ***,multiple kernel learning(MKL)has also been favored by researchers for its data-driven convenience and high ***,there is little research on MKL in EEG-based emotion ***,this paper is dedicated to exploring the application of MKL methods in the field of EEG emotion recognition and promoting the application of MKL methods in EEG emotion ***,we proposed a support vector machine(SVM)classifier based on the MKL algorithm EasyMKL to investigate the feasibility of MKL algorithms in EEG-based emotion recognition *** designed two data partition methods,random division to verify the validity of the MKL method and sequential division to simulate practical ***,tri-categorization experiments were performed for neutral,negative and positive emotions based on a commonly used dataset,the Shanghai Jiao Tong University emotional EEG dataset(SEED).The average classification accuracies for random division and sequential division were 92.25%and 74.37%,respectively,which shows better classification performance than the traditional single kernel *** final results show that the MKL method is obviously effective,and the application of MKL in EEG emotion recognition is worthy of further *** the analysis of the experimental results,we discovered that the simple mathematical operations of the features on the symmetrical electrodes could not effectively integrate the spatial information of the EEG signals to obtain better *** is also confirmed that higher frequency band information is more correlated with emotional state and contributes more to emotion *** summary,this paper explores research on MKL methods in the field of EEG emotion recognition and provides a new way of thinking for EE

关键词： Emotion recognition electroencephalography(EEG) multiple kernel learning machine learning brain computer interface

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Contact mode thermal sensors for ultrahigh-temperature region of 2000-3500 K

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Rare Metals 2019年第8期38卷 713-720页

作者： Sheng-Yong Xu Zhen-hai wang Li-Jiang Gui Key Laboratory for the Physics and Chemistry of Nanodevices Department of Electronics Peking University Beijing 100871 China Department of Micro-Nano Fabrication Technology Institute of Electrical Engineering Chinese Academy of Sciences Beijing 100190 China

In this article,we reviewed several existing techniques that were capable of detecting local temperatures in the range of 2000-3500 K in a contact *** techniques included several non-standard thermocouples,Seger cones and ultrasonic *** particular,ultrasonic meters made of tungsten(W)wires were proven to be working well in nuclear plant for detecting the central temperature of reaction *** also presented two alternative *** of them was a kind of singlemetal-based thermal sensor made from W,Mo and Ta wires,which utilized the size effect of Seebeck coefficient and theoretically applicable in contact mode measurement up to 3500 *** other was a kind of detectors with micro-/nano-patterns,which utilized the size effect of surface melting point of bulky *** work should shed light on measurement approaches for ultrahigh temperatures in a variety of practical applications.

关键词： Thermocouple Ultrasound Ultrahigh temperature Contact mode Size effect Seebeck effect Surface melting point

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Theoretical Chemistry Study of the Hydrogen-bonded Interaction between Acylamine and Chloromethane Compounds

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Chinese Journal of Structural Chemistry 2005年第12期24卷 1416-1424页

作者： GE Qing-Yu wang hai-Jun CHEN Jian-Hua School of Chemical and Material Engineering Southern Yangtze University Wuxi 214036 China

The hydrogen-bonded interaction between acylamine and chloromethane was studied using theoretical calculation methods. Looking the interaction system as a hydrogen-bonded complex, the geometric optimization of the interaction system was performed with HF and B3LYP methods at 6-311＋＋G^＊＊ level. Stable structures of these complexes were obtained. Binding energies and some other physical chemistry parameters of them were computed and compared. According to the calculation results, it can be identified that DMA （DMF or DEF） can form stable complex with chloromethane by the hydrogen-bonded interaction between them. The stable orders of these hydrogen-bonded complexes were obtained and described as： DMF-CHCl3〉DMF-CH2Cl2〉 DMF-CH3Cl, DEF-CHCl3 〉 DEF-CH2Cl2 〉 DEF-CH3Cl, DMA-CHCl3 〉 DMA-CH2Cl2 〉 DMA-CH3Cl, respectively.

关键词： theoretical calculation acylamine chloromethane (CHnCl4-n n = 0~4) binding energy.

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Application of deep learning in genomics

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Science China(Life Sciences) 2020年第12期63卷 1860-1878页

作者： Jianxiao Liu Jiying Li hai wang Jianbing Yan National Key Laboratory of Crop Genetic Improvement Huazhong Agricultural UniversityWuhan 430070China College of Informatics Huazhong Agricultural UniversityWuhan 430070China Microsoft Corporation Redmond 98052USA National Maize Improvement Center Key Laboratory of Crop Heterosis and UtilizationJoint Laboratory for International Cooperation in Crop Molecular BreedingChina Agricultural UniversityBeijing 100193China

In recent years, deep learning has been widely used in diverse fields of research, such as speech recognition, image classification,autonomous driving and natural language processing. Deep learning has showcased dramatically improved performance in complex classification and regression problems, where the intricate structure in the high-dimensional data is difficult to discover using conventional machine learning algorithms. In biology, applications of deep learning are gaining increasing popularity in predicting the structure and function of genomic elements, such as promoters, enhancers, or gene expression levels. In this review paper, we described the basic concepts in machine learning and artificial neural network, followed by elaboration on the workflow of using convolutional neural network in genomics. Then we provided a concise introduction of deep learning applications in genomics and synthetic biology at the levels of DNA, RNA and protein. Finally, we discussed the current challenges and future perspectives of deep learning in genomics.

关键词： deep learning genomics convolutional neural network

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Optical Design of Multilayer Achromatic Waveplate by Simulated Annealing Algorithm

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Chinese Journal of Astronomy and Astrophysics 2008年第3期8卷 349-361页

作者： Jun Ma Jing-Shan wang Carsten Denker hai-Min wang Big Bear Solar Observatory 40386 North Shore Lane Big Bear City CA 92314 USA New Jersey Institute of Technology Center for Solar-Terrestrial Research 323 Martin Luther Kind Blvd. Newark NJ 07102 USA Astrophysikalisches Institut Potsdam An der Sternwarte 16 D- 14482 Potsdam Germany Currently working at Thorlabs Inc. 435 Route 206 Newton NJ 07860 USA

We applied a Monte Carlo method -- simulated annealing algorithm -- to carry out the design of multilayer achromatic waveplate. We present solutions for three-, six- and ten-layer achromatic waveplates. The optimized retardance settings are found to be 89°51′39″ ± 0°33′37″ and 89°54′46″ ± 0°22′4″ for the six- and ten-layer waveplates, respectively, for a wavelength range from 1000 nm to 1800 nm. The polarimetric properties of multilayer waveplates are investigated based on several numerical experiments. In contrast to previously proposed three-layer achromatic waveplate, the fast axes of the new six- and ten-layer achromatic waveplate remain at fixed angles, independent of the wavelength. Two applications of multilayer achromatic waveplate are discussed, the general-purpose phase shifter and the birefringent filter in the Infrared Imaging Magnetograph （IRIM） system of the Big Bear Solar Observatory （BBSO）. We also checked an experimental method to measure the retardance of waveplates.

关键词： instrumentation spectrographs -- methods numerical -- methods laboratory-- Sun infrared

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Ecological Suitability Assessment and Introduction Experiment on Rosa damascena trigintipetala in Sichuan Province, China

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Journal of Mountain Science 2014年第3期11卷 805-815页

作者： wang Xiao-lan SU Chun-jiang PENG Li wang hai-e wang hai-ming LIU Wei LI Ping FANG Yan Institute of Mountain Hazards and Environment Chinese Academy of Sciences Graduate School of Chinese Academy of Sciences Sichuan Academy of Agricultural Sciences Southwest Jiaotong University Sichuan Technology and Business Collage

This study comprehensively considered the climate, soil, terrain, and land-use type conditions suitable for Rosa damascena trigintipetala and further established an ecological suitability evaluation model of R. damascena triginffpetala in Sichuan Province, China, based on geographic information systems （GIS） and Agro-Ecological Zone （AEZ） models; then we assessed the different ecological suitability grades for this species in Sichuan Province of China and summarized the suitable land areas and spatial distribution pattern for R. damascena trigintipetala. The results show that the suitable areas （which contain highly suitable, generally suitable, and critically suitable areas） for R. damascena trigintipetala are 307.268×lO4 hm^2, which accounts for 6.34% of the total provincial area. Results also indicate that shrub land and open forest land are the major land-use types suitable for R. damascena trigintipetala, with the suitable areas of 303.162×lO4 hm2 （6.25% of the total provincial area）. An introduction test was conducted in one of the suitable areas, Xichang City, which demonstrated that R. damascena trigintipetala grows well at theexperimental sites. The quality of rose oil extracted from R. damascena trigintipetala planted in Xichang meets the Bulgaria Rose Oil Standard, thus verifying the accuracy and reliability of the ecological suitability assessment results.

关键词： Rosa damascena trigintipetala Ecological suitability Introduction Agro-ecologicalzone Sichuan Province

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