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Insight into the Structural Requirements of Protoporphyrino- gen Oxidase Inhibitors： Molecular Docking and CoMFA of Di- phenyl Ether, Isoxazole Phenyl, and Pyrazole Phenyl Ether

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Chinese Journal of Chemistry 2013年第9期31卷 1153-1158页

作者： Shenggang yang Gefei Hao Franck E Dayan Patrick J. Tranel Guangfu yang Key Laboratory of Pesticide & Chemical Biology Ministry of Education College of Chemistry Central China Normal University Wuhan Hubei 430079 China USDA/ARS Natural Products Utilization Research Unit P.O. Box 8048 University MS 38677 USA Department of Crop Sciences University of lllinois Urbana IL 61801 USA

Protoporphyrinogen oxidase （PPO, EC 1.***.3.4） is one of the most significant targets for a large family of in- hibitors that may be used as herbicide, bactericide, fungicide, or photosensitizing activator to treat cancer through photodynamic therapy （PDT）. Molecular docking and CoMFA were combined in a multistep framework with the ultimate goal of identifying important factor contributing to the activity of PPO inhibitors. As a continuation of the previous research work on the development of new PPO inhibitors, the bioassay results indicated that good PPO in- hibitors were discovered in all of the three chemical series with ICs0 values ranging from 0.010 to 0.061 pmol·L ^-1. Using the crystal structure of tobacco mitochondrial PPO （mtPPO） as template, all the compounds were docked into the enzyme active site. The docking pose of each compound was subsequently used in a receptor-based alignment, leading to the development of a significant CoMFA model with r^2 value of 0.98 and q^2 （cross validation r^2） value of 0.63. This novel multistep framework gives insight into the and it can be extended to other classes of PPO inhibitors. In be particularly applicable in virtual screening procedures. structural characteristics for the binding of inhibitors, addition, the simplicity of the proposed approach may

关键词： protoporphyrinogen oxidase Quantitative Structure-Activity Relationship (QSAR) Comparative Mo-lecular Field Analysis (CoMFA) diphenyl ether isoxazole phenyl pyrazole phenyl ether

Resilience assessment framework toward interdependent bus-rail transit network:Structure,critical components,and coupling mechanism

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Communications in Transportation Research 2023年第1期3卷 118-129页

作者： Bing Liu Xiaoyue Liu yang yang Xi Chen Xiaolei Ma School of Transportation Science and Engineering Beihang UniversityBeijing100191China Department of Civil&Environmental Engineering University of UtahSalt Lake CityUT84112USA School of Computer Science and Engineering Beihang UniversityBeijing100191China Key Laboratory of Intelligent Transportation Technology and System Ministry of EducationBeijing100191China

Understanding the interdependent nature of multimodal public transit networks(PTNs)is vital for ensuring the resilience and robustness of transportation ***,previous studies have predominantly focused on assessing the vulnerability and characteristics of single-mode PTNs,neglecting the impacts of heterogeneous disturbances and shifts in travel behavior within multimodal ***,this study introduces a novel resilience assessment framework that comprehensively analyzes the coupling mechanism,structural and functional characteristics of bus-rail transit networks(BRTNs).In this framework,a network performance metric is proposed by considering the passengers’travel behaviors under various ***,stations and subnetworks are classified using the k-means algorithm and resilience metric by simulating various disturbances occurring at each station or *** proposed framework is validated via a case study of a BRTN in Beijing,*** indicate that the rail transit network(RTN)plays a crucial role in maintaining network function and resisting external disturbances in the interdependent ***,the coupling interactions between the RTN and bus transit network(BTN)exhibit distinct characteristics under infrastructure component disruption and functional *** findings provide valuable insights into emergency management for PTNs and understanding the coupling relationship between BTN and RTN.

关键词： Complex network Bus-rail transit network Resilience analysis Interdependent coupling relationship Classification analysis

Transarterial chemoembolization vs. liver resection as initial treatment for hepatocellular carcinoma occurring exclusively in caudate lobe: A retrospective propensity matching analysis

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Oncology Research 2022年第1期30卷 23-33页

作者： BIAO yang MINLAN YUAN TING yang ZHENGYIN LIAO HAO WU Department of Abdominal Oncology West China HospitalSichuan UniversityChengduChina Department of Psychiatry West China HospitalSichuan UniversityChengduChina Department of Gastroentology West China HospitalSichuan UniversityChengduChina

Treatment of hepatocellular carcinoma(HCC)in the caudate lobe is technically *** retrospective study was designed to evaluate the clinical outcome of both superselective transcatheter arterial chemoembolization(TACE)and liver resection(LR)for HCC occurring exclusively in the caudate *** January 2008 to September 2021,a total of 129 patients were diagnosed with HCC of the caudate *** Cox proportional hazard model was used to analyze the potential clinical factors and established prognostic nomograms with interval *** the total number of patients,78 received TACE and 51 received *** overall survival(OS)rates(TACE ***)at 1,2,3,4,and 5 years were 83.9%vs.71.0%;74.2%vs.61.3%;58.1%vs.48.4%;45.2%vs.45.2%;and 32.3%vs.25.0%,***,subgroup analysis revealed that TACE was superior to LR for treating patients with stage IIb Chinese liver cancer(CNLC-IIb)in the entire cohort(p=0.002).Interestingly,no difference was found between TACE and LR in the treatment outcomes of CNLC-IIa HCC(p=0.6).Based on Child-Pugh A and B calculations,TACE tended to lead to a better OS than LR(p=0.081 and 0.16,respectively).Multivariate analysis showed that Child-Pugh score,CNLC stage,ascites,alpha fetoprotein(AFP),tumor size,and anti-HCV are related to *** nomograms for 1,2,and 3 years were *** on this study,TACE may provide a longer OS than liver resection for patients with CNLC-IIb HCC of the caudate *** this suggestion is limited by the study design and relatively small sample size,additional randomized controlled trials are needed.

关键词： Transarterial chemoembolization Liver resection Hepatocellular carcinoma Caudate lobe

Robust iterative learning control for nonlinear systems with measurement disturbances

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Journal of Systems Engineering and Electronics 2012年第6期23卷 906-913页

作者： Xuhui BuI FashanYu Zhongsheng Hou Haizhu yang School of Electrical Engineering & Automation Henan Polytechnic University Jiaozuo 454003 E R. China Henan Provincial Open Laboratory for Control Engineering Key Discipline Henan Polytechnic University Jiaozuo 454003 P. R. China Advanced Control Systems Laboratory Beijing Jiaotong University Beijing 100044 P. R. China

The iterative learning control （ILC） has been demon-strated to be capable of considerably improving the tracking perfor-mance of systems which are affected by the iteration-independent disturbance. However, the achievable performance is greatly degraded when iteration-dependent, stochastic disturbances are pre-sented. This paper considers the robustness of the ILC algorithm for the nonlinear system in presence of stochastic measurement disturbances. The robust convergence of the P-type ILC algorithm is firstly addressed, and then an improved ILC algorithm with a decreasing gain is proposed. Theoretical analyses show that the proposed algorithm can guarantee that the tracking error of the nonlinear system tends to zero in presence of measurement dis-turbances. The analysis is also supported by a numerical example.

关键词： iterative learning control (ILC) nonlinear system mea-surement disturbance iteration-varying disturbance.

Differential Responses of Nitrifier and Denitrifier to Dicyandiamide in Short- and Long-Term Intensive Vegetable Cultivation Soils

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Journal of Integrative Agriculture 2014年第5期13卷 1090-1098页

作者： LIU Yi yang yang QIN Hong-ling ZHU Yi-jun WEI Wen-xue Key Laboratory of Agro-Ecological Processes in Subtropical Regions and Taoyuan Station of Agro-Ecology Research Institute of Subtropical Agriculture Chinese Academy of Sciences Tianjin Land & Resources & Housing Management Research Centre

Nitrification inhibitors, such as dicyandiamide （DCD）, have been shown to decrease leaching from urea- and ammoniumbased fertilizers in agricultural soils. The effect of nitrification inhibitors on nitrifier and denitrifier in short- and long-term intensive vegetable cultivation soils was poorly understood. In this study, the pot trial was conducted to investigate the differential responses of nitrifier （amoA-containing bacteria） and denitrifier （nirK-containing bacteria） to DCD in short-（soil S） and long-term （soil L） intensive vegetable cultivation soils. Quantitative polymerase chain reaction （qPCR） and terminal restriction fragment length polymorphism （T-RFLP） were employed to detect the abundance and composition of amoA- and nirK-containing communities. The results indicated that application of DCD led to a consistently higher NH4＋-N concentration during the whole incubation in soil L, while it was quickly decreased in soil S after 21 days. Furthermore, DCD induced more severe decrease of the abundance of amoA-containing bacteria in soil L than in soil S. However, the abundance of the nirK- containing community was not significantly affected by DCD in both soils. Long-term vegetable cultivation resulted in a super-dominant amoA-containing bacteria group and less divergence in soil L compared with soil S, and DCD did not cause obvious shifts of the composition of ammonia-oxidising bacteria （AOB）. On the contrary, both amoA- and nirK-containing bacterial compositions were influenced by DCD in soil S. The results suggested that long-term intensive vegetable cultivation with heavy nitrogen fertilization resulted in significant shifts of AOB community, and this community was sensitive to DCD, but denitrifiers were not clearly affected by DCD.

关键词： DCD amoA nirK vegetable soil

An analytical model to estimate the time delay to reach spontaneous ignition considering heat loss in oil reservoirs

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Petroleum Science 2024年第4期21卷 2469-2474页

作者： James J.Sheng Er-Long yang College of Petroleum Engineering Northeast Petroleum UniversityDaqing163318HeilongjiangChina

During air injection into an oil reservoir,an oxidation reaction generates some heat to raise the reservoir *** the reservoir temperature reaches an ignition temperature,spontaneous ignition *** is a time delay from the injection to *** are mixed results regarding the feasibility of spontaneous ignition in real-field projects and in laboratory *** analytical model is available in the literature to estimate the oxidation time required to reach spontaneous ignition with heat *** paper discusses the feasibility of spontaneous ignition from theoretical points and experimental and field project *** analytical model considering heat loss is *** models with and without heat loss investigate the factors that affect spontaneous *** on the discussion and investigations,we find that it is more difficult for spontaneous ignition to occur in laboratory experiments than in oil reservoirs;spontaneous ignition is strongly affected by the initial reservoir temperature,oil activity,and heat loss;spontaneous ignition is only possible when the initial reservoir temperature is high,the oil oxidation rate is high,and the heat loss is low.

关键词： Spontaneous ignition Time delay Air injection Heat loss Low temperature oxidation Combustion

Infrared small target detection using sparse representation

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Journal of Systems Engineering and Electronics 2011年第6期22卷 897-904页

作者： Jiajia Zhao ZhengyuanTang Jie yang Erqi Liu Institute of Image Processing and Pattern Recognition Shanghai Jiaotong University Shanghai 200240 P. R. China China Aerospace Science and Industry Corporation Beijing 100074 P. R. China

Sparse representation has recently been proved to be a powerful tool in image processing and object *** paper proposes a novel small target detection algorithm based on this *** modelling a small target as a linear combination of certain target samples and then solving a sparse 0-minimization problem,the proposed apporach successfully improves and optimizes the small target representation with ***,the sparsity concentration index（SCI） is creatively employed to evaluate the coefficients of each block representation and simpfy target *** the detection frame,target samples are firstly generated to constitute an over-complete dictionary matrix using Gaussian intensity model（GIM）,and then sparse model solvers are applied to finding sparse representation for each sub-image ***,SCI lexicographical evalution of the entire image incorparates with a simple threshold locate target *** effectiveness and robustness of the proposed algorithm are demonstrated by the exprimental results.

关键词： target detection sparse representation orthogonal matching pursuit(OMP).

Perturbed magnetic field of an infinite plate with a centered crack

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Acta Mechanica Sinica 2011年第2期27卷 259-265页

作者： Fei Qin yang Zhang Ya-Nan Liu College of Mechanical Engineering and Applied Electronics Technology Beijing University of Technology 100124 Beijing China

Deforming a cracked magnetoelastic body in a magnetic field induces a perturbed magnetic field around the crack. The quantitative relationship between this perturbed field and the stress around the crack is crucial in developing a new generation of magnetism-based nondestructive testing technologies. In this paper, an analytical expression of the perturbed magnetic field induced by structural deforma- tion of an infinite ferromagnetic elastic plate containing a centered crack in a weak external magnetic field is obtained by using the linearized magnetoelastic theory and Fourier transform methods. The main finding is that the perturbed magnetic field intensity is proportional to the applied tensile stress, and is dominated by the displacement gradient on the boundary of the magnetoelastic solid. The tangential component of the perturbed magnetic-field intensity near the crack exhibits an antisymmetric distribution along the crack that reverses its direction sharply across its two faces, while the normal component shows a symmetric distribution along the crack with singular points at the crack tips.

关键词： Magnetoelasticity Crack Perturbed magnetic field Fourier transform method Nondestructive testing

Preparation and desulfurization activity of nano-CeO_2/γ-Al_2O_3 catalysts

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Rare Metals 2018年第7期37卷 554-560页

作者： Qi yang Hui Hu Shan-Shan Wang School of Environment Science and Engineering Huazhong University of Science and Technology Department of Urban Construction Wuchang Shouyi University Wuhan Zuoling New Town Development and Investment Co. Ltd.

γ-A12O3-supported CeO2 catalysts were pre- pared by microemulsion and impregnation methods and characterized by X-ray diffraction （XRD） and scanning electron microscope （SEM） techniques. At the same time, the desulfurization activity of catalysts was investigated. The results show that nanoscale active substances and a high desulfurization effect are achieved by microemulsion, exhibiting a significant dominance compared with traditional impregnation method. The optimal preparation condition is temperature of 30 ℃ and ratio of [H20]/[surface active agent] of 7 with slow demulsification. The activated catalysts still keep high and stable desulfurization activity during a wide temperature range of 450-600 ℃. Among a series of prepared catalysts, the desulfurization rate of 6CeOz/γ-A1203 is the highest, reaching up to 80 % when temperature is higher than 550℃. The catalytic reduction mechanism of SO2 over nano-CeOz/γ-A1203 follows redox mechanism.

关键词： Nano-CeO2/γ-Al2O3 Microemulsion Catalyst Desulfurization