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Degradation of the anti-inflammatory drug ibuprofen by electro-peroxone process

Water research 2014年 63卷 81-93页

作者： Xiang Li Yujue Wang Shi Yuan Zhaoxin Li Bin Wang Jun Huang Shubo Deng Gang Yu School of Environment State Key Joint Laboratory of Environmental Simulation and Pollution Control THU-VEOLIA Joint Research Center for Advanced Environmental Technology Tsinghua University Beijing 100084 China. School of Environment State Key Joint Laboratory of Environmental Simulation and Pollution Control THU-VEOLIA Joint Research Center for Advanced Environmental Technology Tsinghua University Beijing 100084 China Graduate School at Shenzhen Tsinghua University Shenzhen 518055 China. School of Environment State Key Joint Laboratory of Environmental Simulation and Pollution Control THU-VEOLIA Joint Research Center for Advanced Environmental Technology Tsinghua University Beijing 100084 China. Electronic address: yg-den@***.

Electro-peroxone (E-peroxone) treatment of the anti-inflammatory drug ibuprofen aqueous solution was investigated in this study. The E-peroxone process combined conventional ozonation with electrolysis processes, and used a carbon-polytetrafluorethylene cathode to electrochemically generate H2O2 from O2 in the sparged ozone generator effluent (O2 and O3 mixture). The in-situ generated H2O2 then reacted with the sparged O3 to produce aqueous •OH, which can in turn oxidize pollutants effectively in the bulk solution. The E-peroxone process overcomes several intrinsic limitations of conventional ozonation and electrolysis processes for pollutant degradation such as the selective oxidation with O3 and mass transfer limitations of pollutants to the electrodes, and thus significantly enhanced both ibuprofen degradation and total organic carbon (TOC) mineralization. Results show that ibuprofen could be completely degraded much more rapidly in the E-peroxone process (e.g., 5-15 min under all tested reaction conditions) than in ozonation (≥30 min) and electrolysis (several hours) processes. In addition, thanks to the powerful and non-selective oxidation capacity of •OH, toxic intermediates formed during ibuprofen degradation could be completely mineralized in the E-peroxone process. The E-peroxone effluent (2 h) thus exhibited much lower toxicity (5% inhibition of bioluminescence of Vibrio fisheri) than the ozonation and electrolysis effluents (22% and 88% inhibition, respectively). The results of this study indicate that the E-peroxone process may provide a promising technology for pharmaceutical wastewater treatment.

关键词： advanced oxidation Electrolysis Hydrogen peroxide Ozone Pharmaceutical

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Refined analysis on the X(3872) resonance

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Physical Review D 2015年第3期92卷 034020-034020页

作者： Ce Meng Juan José Sanz-Cillero Meng Shi De-Liang Yao Han-Qing Zheng Department of Physics Peking University Beijing 100871 China Departamento de Física Teórica and Instituto de Física Teórica IFT-UAM/CSIC Universidad Autónoma de Madrid Cantoblanco 28049 Madrid Spain Department of Physics and State Key Laboratory of Nuclear Physics and Technology Peking University Beijing 100871 People’s Republic of China Institute for Advanced Simulation Institut für Kernphysik and Jülich Center for Hadron Physics Forschungszentrum Jülich D-52425 Jülich Germany Collaborative Innovation Center of Quantum Matter Beijing 100871 People’s Republic of China

We study the property of the X(3872) meson by analyzing the B→KDD¯* and B→KJ/ψπ+π− decay processes. The competition between the rescattering mediated through a Breit-Wigner resonance and the rescattering generated from a local DD¯*→DD¯* interaction is carefully studied through an effective Lagrangian approach. Three different fits are performed: pure Breit-Wigner case, pure DD¯* molecule case with only local rescattering vertices (generated by the loop chain), and the mixed case. It is found that data supports the picture where X(3872) is mainly a (c¯c) Breit-Wigner resonance with a small contribution to the self-energy generated by D¯D* final state interaction. For our optimal fit, the pole mass and width are found to be: MX=3871.2±0.7 MeV and ΓX=6.5±1.2 MeV.

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Hybrid CFD/FEM-BEM simulation of cabin aerodynamic noise for vehicles traveling at high speed

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Science China(Technological Sciences) 2013年第7期56卷 1697-1708页

作者： WANG YiPing ZHEN Xin WU Jing GU ZhengQi XIAO ZhenYi YANG Xue Hubei Key Laboratory of Advanced Technology of Automotive Components Wuhan University of Technology State Key Laboratory of Automotive Simulation and Control Jilin University State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body Hunan University Wuhan Ordnance Noncommissioned officers School

Flow passing a vehicle may lead to the increase of the cabin interior noise level through a variety of mechanisms. These mechanisms include vibrations caused by aerodynamic excitations and reradiation from the glass panels, exterior noise trans-mitted and leaked through door seals including gaps and glass edge, and transmission of airborne noise generated by the interaction of flow with body panels. It is of vital importance to predict both the flow fields and the acoustic sources around the ve-hicle to accurately assess the impact of wind induced noise inside the cabin. In the present study, an unstructured segregated finite volume model was used to calculate the flow fields in which a hexahedron grid is used to simplify the vehicle geometry.A large eddy simulation coupled with a wall function model was applied to predict the exterior transient flow fields. The mean flow quantities were thus calculated along the symmetry plane and the vehicle's side windows. A coupled FEM/BEM method was used to compute the vehicle's interior noise level. The total contribution of the interior noise level due to the body panels of the vehicle was subsequently analyzed.

关键词： aerodynamic noise computational fluid dynamics large eddy simulation finite element method boundary element method

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Laplacian normalization and random walk on heterogeneous networks for disease-gene prioritization

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Computational biology and chemistry 2015年 57卷 21-8页

作者： Zhi-Qin Zhao Guo-Sheng Han Zu-Guo Yu Jinyan Li Hunan Key Laboratory for Computation and Simulation in Science and Engineering and Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education Xiangtan University Xiangtan Hunan 411105 China. Hunan Key Laboratory for Computation and Simulation in Science and Engineering and Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education Xiangtan University Xiangtan Hunan 411105 China School of Mathematical Sciences Queensland University of Technology GPO Box 2434 Brisbane Q4001 Australia. Electronic address: yuzg1970@***. Advanced Analytics Institute & Centre for Health Technologies University of Technology Sydney Broadway NSW 2007 Australia. Electronic address: jinyan.li@uts.edu.au.

Random walk on heterogeneous networks is a recently emerging approach to effective disease gene prioritization. Laplacian normalization is a technique capable of normalizing the weight of edges in a network. We use this technique to normalize the gene matrix and the phenotype matrix before the construction of the heterogeneous network, and also use this idea to define the transition matrices of the heterogeneous network. Our method has remarkably better performance than the existing methods for recovering known gene-phenotype relationships. The Shannon information entropy of the distribution of the transition probabilities in our networks is found to be smaller than the networks constructed by the existing methods, implying that a higher number of top-ranked genes can be verified as disease genes. In fact, the most probable gene-phenotype relationships ranked within top 3 or top 5 in our gene lists can be confirmed by the OMIM database for many cases. Our algorithms have shown remarkably superior performance over the state-of-the-art algorithms for recovering gene-phenotype relationships. All Matlab codes can be available upon email request.

关键词： Disease genes and phenotypes Heterogeneous network Laplacian normalization Leave-one-out cross-validation Random walk with restart Shannon information entropy

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Catalysis: Enhanced Catalytic Efficiency of Pt Nanoparticles Supported on 3D Ordered Macro-/Mesoporous Ce0.6Zr0.3Y0.1O2for Methane Combustion (Small 20/2015)

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Small 2015年第20期11卷

作者： Hamidreza Arandiyan Hongxing Dai Kemeng Ji Hongyu Sun Yanyan Zhao Junhua Li State Key Joint Laboratory of Environment Simulation and Pollution Control School of Environment Tsinghua University Beijing 100084 China Particles and Catalysis Research Group School of Chemical Engineering The University of New South Wales Sydney NSW 2052 Australia Key Laboratory of Beijing on Regional Air Pollution Control Beijing Key Laboratory for Green Catalysis and Separation and Laboratory of Catalysis Chemistry and Nanoscience Department of Chemistry and Chemical Engineering College of Environmental and Energy Engineering Beijing University of Technology Beijing 100124 China National Center for Electron Microscopy in Beijing School of Materials Science and Engineering The State Key Laboratory of New Ceramics and Fine Processing Key Laboratory of Advanced Materials (MOE) Tsinghua University Beijing 100084 China

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Multi-Modality Emotion Analysis of Chinese Microblogging

Multi-Modality Emotion Analysis of Chinese Microblogging

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2014 International Conference on Artificial,Intelligence and Software Engineering(AISE 2014)

作者： Xiao SUN Cheng-cheng LI Yong-an YU Xiao-li NAN Anhui Province Key Laboratory of Affective Computing and Advanced Intelligent Machine School of Computer and Information Hefei University of Technology Dalian Informedia Electronic Co. Ltd. Dalian University of Technology AAVIC Jiangxi Hongdu Aviation Industry Group Corporation Limited

This paper presents a multi-modality feature extraction method based sentiment classification for Chinese microblogging. Human sentiment in microblogging is divided into three categories(positive, neutral, negative). Compared with traditional Chinese microblogging sentiment classification approaches, the method adopts the characteristics of microblogging social environment modality(including microblogging comments and relationships between commentators and micro-bloggers), while it extracts the microblogging text feature. The paper integrates the above two modality features and improve the performance of sentiment classification. At last, we model the feature sets by adopting fuzzy SVM model. The experimental results demonstrate the performance of the method on sentiment classification.

关键词： Emotion analysis Sentiment classification Multi-modality Sentiment fuzzy SVM

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A novel multi-fidelity coupled simulation method for flow systems

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Chinese Journal of Aeronautics 2013年第4期26卷 868-875页

作者： Wang Peng Zheng Yun Zou Zhengping Qi Lei Zhou Zhixiang National Key Laboratory of Science & Technology on Aero-Engine Aero-thermodynamics School of Energy and Power Engineering Beihang University Aeroengine Numerical Simulation Research Center School of Energy and Power Engineering Beihang University Chinese Aviation Powerplant Research Institute

For the numerical simulation of flow systems with various complex components, the traditional one-dimensional （1D） network method has its comparative advantage in time consuming and the CFD method has its absolute advantage in the detailed flow capturing. The proper coupling of the advantages of different dimensional methods can strike balance well between time cost and accuracy and then significantly decrease the whole design cycle for the flow systems in modern machines. A novel multi-fidelity coupled simulation method with numerical zooming is developed for flow systems. This method focuses on the integration of one-, two-and three-dimensional codes for various components. Coupled iterative process for the different dimensional simulation cycles of sub-systems is performed until the concerned flow variables of the whole system achieve convergence. Numerical zooming is employed to update boundary data of components with different dimen-sionalities. Based on this method, a highly automatic, multi-discipline computing environment with integrated zooming is developed. The numerical results of Y-Junction and the air system of a jet engine are presented to verify the solution method. They indicate that this type of multi-fidelity simulationmethod can greatly improve the prediction capability for the flow systems.

关键词： Complex flow system Coupling Jet engine Multi-fidelity Zooming

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Linking the environmental loads to the fate of PPCPs in Beijing: Considering both the treated and untreated wastewater sources

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Environmental pollution (Barking, Essex : 1987) 2015年 202卷 153-9页

作者： Bin Wang Guohua Dai Shubo Deng Jun Huang Yujue Wang Gang Yu State Key Joint Laboratory of Environmental Simulation and Pollution Control School of Environment Tsinghua University Beijing 100084 China Collaborative Innovation Center for Regional Environmental Quality Tsinghua University Beijing 100084 China Tsinghua-Veolia Joint Research Center for Advanced Environmental Technology Tsinghua University Beijing 100084 China. Electronic address: thuwb@***. Tsinghua-Veolia Joint Research Center for Advanced Environmental Technology Tsinghua University Beijing 100084 China. Collaborative Innovation Center for Regional Environmental Quality Tsinghua University Beijing 100084 China. Beijing Key Laboratory of Emerging Organic Contaminants Tsinghua University Beijing 100084 China.

The environmental loads of pharmaceutical and personal care products (PPCPs) in Beijing were estimated from direct discharge of untreated wastewater and WWTP treated effluent. The annual environmental loads of 15 PPCP components ranged from 16.3 kg (propranolol) to 9.85 tons (caffeine). A fugacity model was developed to successfully estimate the PPCP pollution based on the estimated environmental load. The modeled results approximated the observed PPCP concentrations in Beijing. The untreated wastewater contributed significantly to PPCP pollution in Beijing, ranging from 46% (propranolol) to 99% (caffeine). The total environmental burden of target PPCPs ranged from 0.90 kg (propranolol) to 536 kg (caffeine). Water is the most important media for the fate of PPCPs. Monte Carlo-based concentration distributions of PPCPs are consistent with the observed results. The most important way to reduce the PPCP pollution is to both improve wastewater collection rate and adopt deep treatment technologies.

关键词： Environmental load Fugacity model Personal care product Pharmaceutical Sensitivity analysis Uncertainty analysis

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Detwinning-induced reduction in ductility of twinned copper nanowires

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Chinese Science Bulletin 2013年第6期58卷 684-688页

作者： ZHANG JunJie XU FangDa YAN YongDa SUN Tao Center for Precision Engineering Harbin Institute of Technology Interdisciplinary Centre for Advanced Materials Simulation(ICAMS) Ruhr University BochumUniversit tsstr Key Laboratory of Micro-systems and Micro-structures Manufacturing of Ministry of Education Harbin Institute of Technology

Detwinning is a unique deformation mechanism of nanotwinned metals with twin lamellae thickness down to a few *** this work we investigate the impact of detwinning mechanism on the tensile ductility of twinned Cu nanowires containing high density of parallel twin boundaries by means of molecular dynamics *** results show that the fracture strain of twinned Cu nanowires has a strong dependence on twin boundary spacing,resulting from the competition between individual deformation *** for the twinned Cu nanowires containing the thinnest twin lamellaes,the dominant detwinning mechanism leads to a significant reduction in the tensile *** is found that detwinning originates from twin boundary migration,which is a result of the glide of lattice partial dislocations on the twin *** work advances our fundamental understanding of the twin boundary-related mechanical properties of twinned metallic nanowires.

关键词：金属纳米线孪晶界延展性分子动力学模拟铜诱导变形机制片层厚度

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Parton distribution amplitudes of light vector mesons

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Physical Review D 2014年第1期90卷 014011-014011页

作者： Fei Gao Lei Chang Yu-Xin Liu Craig D. Roberts Sebastian M. Schmidt Department of Physics and State Key Laboratory of Nuclear Physics and Technology Peking University Beijing 100871 China Collaborative Innovation Center of Quantum Matter Beijing 100871 China CSSM School of Chemistry and Physics University of Adelaide Adelaide SA 5005 Australia Center for High Energy Physics Peking University Beijing 100871 China Physics Division Argonne National Laboratory Argonne Illinois 60439 USA Institute for Advanced Simulation Forschungszentrum Jülich and JARA D-52425 Jülich Germany

A rainbow-ladder truncation of QCD’s Dyson-Schwinger equations is used to calculate ρ- and ϕ-meson valence-quark (twist-two parton) distribution amplitudes (PDAs) via a light-front projection of their Bethe-Salpeter wave functions, which possess S- and D-wave components of comparable size in the meson rest frame. All computed PDAs are broad concave functions, whose dilation with respect to the asymptotic distribution is an expression of dynamical chiral symmetry breaking. The PDAs can be used to define an ordering of valence-quark light-front spatial extent within mesons: this size is smallest within the pion and increases through the ⊥ polarization to the ∥ polarization of the vector mesons; effects associated with the breaking of SU(3)-flavor symmetry are significantly smaller than those associated with altering the polarization of vector mesons. Notably, the predicted pointwise behavior of the ρ-meson PDAs is in quantitative agreement with that inferred recently via an analysis of diffractive vector-meson photoproduction experiments.

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