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From the perspective of experimental practice: High-throughput computational screening in photocatalysis

Green Energy & Environment 2024年第1期9卷 1-6页

作者： Yunxuan Zhao Junyu gao Xuanang Bian Han Tang Tierui Zhang Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistryChinese Academy of SciencesBeijing100190China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing100049China Institute for AI Industry Research(AIR) Tsinghua UniversityBeijing100084China

Photocatalysis,a critical strategy for harvesting sunlight to address energy demand and environmental concerns,is underpinned by the discovery of high-performance photocatalysts,thereby how to design photocatalysts is now generating widespread interest in boosting the conversion efﬁ-ciency of solar *** the past decade,computational technologies and theoretical simulations have led to a major leap in the development of high-throughput computational screening strategies for novel high-efﬁciency *** this viewpoint,we started with introducing the challenges of photocatalysis from the view of experimental practice,especially the inefﬁciency of the traditional“trial and error”***-sequently,a cross-sectional comparison between experimental and high-throughput computational screening for photocatalysis is presented and discussed in *** the basis of the current experimental progress in photocatalysis,we also exempliﬁed the various challenges associated with high-throughput computational screening ***,we offered a preferred high-throughput computational screening procedure for pho-tocatalysts from an experimental practice perspective(model construction and screening,standardized experiments,assessment and revision),with the aim of a better correlation of high-throughput simulations and experimental practices,motivating to search for better descriptors.

关键词： Photocatalysis High-throughput computational screening Photocatalyst Theoretical simulations Experiments

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A Fast and Accurate LEO Satellite-Based Direct Position Determination Assisted by TDOA Measurements

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China Communications 2022年第1期19卷 92-103页

作者： Shijie Li Qianyun Zhang Boyu Deng Biyi Wu Yue gao School of Cyber Science and Technology BeiHang UniversityBeijing 100191China Tsinghua University ChinaBeijing 100084China Beijing Institute of Technology Beijing 100081China School of Computer Science Fudan University Shanghai 200433China

This paper focuses on the trusted vessel position acquisition using passive localization based on the booming low-earth-orbit(LEO) satellites. As the high signal-to-noise ratio(SNR) reception cannot always be guaranteed at LEO satellites, the recently developed direct position determination(DPD)is adopted. For LEO satellite-based passive localization systems, an efficient DPD is challenging due to the excessive exhaustive search range leading from broad satellite coverage. In order to reduce the computational complexity, we propose a time difference of arrival-assisted DPD(TA-DPD) which minimizes the searching area by the time difference of arrival measurements and their variances. In this way, the size of the searching area is determined by both geometrical constraints and qualities of received signals, and signals with higher SNRs can be positioned more efficiently as their searching areas are generally *** two-dimensional and three-dimensional passive localization simulations using the proposed TA-DPD are provided to demonstrate its efficiency and validity. The superior accuracy performance of the proposed method, especially at low SNRs conditions, is also verified through the comparison to conventional two-step methods. Providing a larger margin in link budget for satellite-based vessel location acquisition,the TA-DPD can be a competitive candidate for trusted marine location service.

关键词： direct position determination LEO satellite constellation passive localization TDOA

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Geometry and 3D seismic characterisation of post-rift normal faults in the Pearl River Mouth Basin,northern South China Sea

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Acta Oceanologica Sinica 2024年第4期43卷 25-39页

作者： Yuanhang Liu Jinwei gao Wanli Chen Jiliang Wang Umair Khan Laboratory of Marine Geophysics and Georesources Institute of Deep-sea Science and EngineeringChinese Academy of SciencesSanya 572000China University of Chinese Academy of Sciences Beijing 100049China

Based on high-resolution 3D seismic data acquired in the Pearl(Zhujiang)River Mouth Basin of the northern South China Sea,this study investigated the geometry,spatial extension,and throw distribution of the post-rift normal fault through detailed seismic interpretation and fault modeling.A total of 289 post-rift normal faults were identified in the study area and can be classified into four types:(1)isolated normal faults above the carbonate platform;(2)isolated normal faults cutting through the carbonate platform;(3)conjugate normal faults,and(4)connecting normal *** distribution analysis on the fault planes show that the vertical throw profiles of most normal fault exhibit flat-topped *** normal faults above the carbonate platform exhibit roughly concentric ellipses with maximum throw zones in the central section whereas the normal faults cutting through the carbonate platform miss the lowermost section due to the chaotic seismic reflections in the interior of the carbonate *** vertical throws of conjugate normal faults anomalously decrease toward their intersection region on the fault plane whereas the connecting normal faults present two maximum throw zones in the central section of the fault *** to the symmetric elliptical distribution model of fault throw,an estimation was made indicating that normal faults cutting through the carbonate platform extended downward between-1308 s and-1780 s(two-way travel time)in depth and may not penetrate the entire Liuhua carbonate ***,it is observed that the distribution of karst caves on the top of the carbonate platform disaccord with those of hydrocarbon reservoirs and the post-rift normal faults cutting through the carbonate platform in the study *** propose that these karst caves formed most probably by corrosive fluids derived from magmatic activities during the Dongsha event,rather than pore waters or hydrocarbons.

关键词： Post-rift normal faults fault throw Karst caves Corrosive fluids Pearl River Mouth Basin South China Sea

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Effect of superplastic deformation on precipitation behavior of sigma phase in 3207 duplex stainless steel

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Progress in Natural Science:Materials International 2021年第2期31卷 334-340页

作者： Jingkun Li Xueping Ren Yanling Zhang Hongliang Hou Xiaodan gao School of Materials Science and Engineering University of Science and Technology Beijing AVIC Manufacturing Technology Institute Institute for Advanced Materials and Technology University of Science and Technology Beijing

Owing to excellent strength, toughness and corrosion resistance, duplex stainless steels(DSS) are widely used in constructional and petrochemical applications. Sigma phase, which has detrimental impact on the properties, is readily precipitated during hot working of DSS. However, precipitation behavior of sigma phase during superplastic deformation, which is the most significant processing method of DSS, is still unclear. In the current study,the effect of superplastic deformation on the precipitation behavior of sigma phase was investigated in 3207 duplex stainless steel. The result shows that superplastic deformation could prevent sigma phase precipitation generally by increasing mobility of grain boundaries and decreasing misorientation of the sigma phase boundaries, resulting in some sigma phase precipitated on the twin boundaries. Most of the sigma phase precipitated on ferrite-austenite interface with misorientation of 20–25°, while it precipitated in ferrite or austenite with the misorientation of 40°–45°. The orientation relationship between sigma phase and matrix matched well in austenite and on the ferrite/austenite interfaces, while it showed a small misfit in ferrite. The prevention effect of the superplastic deformation on the sigma phase precipitation was beneficial to quasi stable deformation stage,resulting in longer elongation.

关键词： Duplex stainless steel Superplastic deformation Sigma phase (σ) Precipitation mechanism Hardening effect

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PowerDetector:Malicious PowerShell Script Family Classification Based on Multi-Modal Semantic Fusion and Deep Learning

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China Communications 2023年第11期20卷 202-224页

作者： Xiuzhang Yang Guojun Peng Dongni Zhang Yuhang gao Chenguang Li School of Cyber Science and Engineering Wuhan UniversityWuhan 430072China Key Laboratory of Aerospace Information Security and Trusted Computing Ministry of EducationWuhan 430072China School of Information Guizhou University of Finance and EconomicsGuiyang 550025China

Power Shell has been widely deployed in fileless malware and advanced persistent threat(APT)attacks due to its high stealthiness and live-off-theland ***,existing works mainly focus on deobfuscation and malicious detection,lacking the malicious Power Shell families classification and behavior ***,the state-of-the-art methods fail to capture fine-grained features and semantic relationships,resulting in low robustness and *** this end,we propose Power Detector,a novel malicious Power Shell script detector based on multimodal semantic fusion and deep ***,we design four feature extraction methods to extract key features from character,token,abstract syntax tree(AST),and semantic knowledge ***,we intelligently design four embeddings(i.e.,Char2Vec,Token2Vec,AST2Vec,and Rela2Vec) and construct a multi-modal fusion algorithm to concatenate feature vectors from different ***,we propose a combined model based on transformer and CNN-Bi LSTM to implement Power Shell family *** experiments with five types of Power Shell attacks show that PowerDetector can accurately detect various obfuscated and stealth PowerShell scripts,with a 0.9402 precision,a 0.9358 recall,and a 0.9374 ***,through singlemodal and multi-modal comparison experiments,we demonstrate that PowerDetector’s multi-modal embedding and deep learning model can achieve better accuracy and even identify more unknown attacks.

关键词： deep learning malicious family detection multi-modal semantic fusion PowerShell

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Safety and efficacy of Edaravone Dexborneol versus edaravone for patients with acute ischaemic stroke: a phase Ⅱ, multicentre, randomised, double-blind, multiple-dose, active-controlled clinical trial

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Stroke & Vascular Neurology 2019年第3期4卷 109-114页

作者： Jie Xu Yilong Wang Anxin Wang Zhiqiang gao Xiaoping gao Huisheng Chen Junshan Zhou Xingquan Zhao Yongjun Wang Department of Neurology Beijing Tiantan HospitalCapital Medical UniversityBeijingChina China National Clinical Research Center for Neurological Diseases BeijingChina Department of Neurology The Second Affiliated Hospital of Nanjing Medical UniversityNanjingChina Department of Neurology The First Affiliated Hospital of Hunan Normal UniversityChangshaChina Department of Neurology General HospitalPLA Shenyang Military RegionShenyangChina Department of Neurology Nanjing First HospitalNanjing Medical UniversityNanjingChina

Background Edaravone Dexborneol is a novel neuroprotective agent that comprised edaravone and(+)-borneol,a food additive with an anti-inflammatory effect in animal ischaemic stroke *** study aims to assess the safety and efficacy of Edaravone Dexborneol compared with edaravone in treating patients with acute ischaemic stroke(AIS).Methods In this multicentre,randomised,double-blind,multiple-dose,active-controlled,phaseⅡclinical trial,patients with AIS within 48 hours after stroke onset were randomly assigned(1:1:1:1)to low-dose(12.5 mg),medium-dose(37.5 mg)or high-dose(62.5 mg)Edaravone Dexborneol groups,and an active control group with edaravone(30 mg)by 30 min intravenous infusion every 12 hours,for 14 consecutive *** primary efficacy outcome was the proportion of modified Rankin Scale(mRS)score≤1 at 90 days and National Institutes of Health Stroke Scale(NIHSS)score change from baseline to 14 days after *** safety outcome included any adverse event during 90 days after *** Of 385 patients included in the efficacy analysis,94 were randomised to low-dose group,97 to medium-dose group,98 to high-dose group and 96 to the control *** significant difference was observed among the four groups on mRS score(mRS≤1,p=0.4054)at 90 days or NIHSS score change at 14 days(p=0.6799).However,a numerically higher percentage of patients with mRSscore≤1 at 90 days in the medium-dose(69.39%)and high-dose(65.63%)groups was observed than in the control group(60.64%).No significant difference in severe adverse events was found among the four groups(p=0.3815).Conclusions Compared with edaravone alone,Edaravone Dexborneol was safe and well tolerated at all doses,although no significant improvement in functional outcomes was observed at 90days.

关键词： patients doses protective

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使用gao-YONG湍流方程组对顶盖驱动方腔流的计算

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北京航空航天大学学报 2005年第2期31卷 138-141页

作者：任鑫高歌北京航空航天大学能源与动力工程学院北京100083

运用SIMPLER方法、QUICK格式及交错网格技术求解gao YONG湍流方程组 ,对二维顶盖驱动方腔流进行数值模拟 ,得到方腔内的涡量分布和方腔中心水平剖线上的速度变化曲线 ,并与DNS(DirectlyNumericalSimulation)结果进行定性对比 ,有较好的... 详细信息

运用SIMPLER方法、QUICK格式及交错网格技术求解gao YONG湍流方程组 ,对二维顶盖驱动方腔流进行数值模拟 ,得到方腔内的涡量分布和方腔中心水平剖线上的速度变化曲线 ,并与DNS(DirectlyNumericalSimulation)结果进行定性对比 ,有较好的一致性 .结果表明 ,gao YONG湍流方程组中与湍流多尺度现象相对应的机械能方程对此湍流方程组能够合理地模拟出顶盖驱动方腔流中复杂的湍流粘性分布以及湍流能量逆转现象起到了关键作用 .研究进一步证明了gao YONG湍流方程组能够得到复杂流动的真实粘性场 .

关键词：数值模拟湍流 gao-YONG湍流方程组顶盖驱动方腔流

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Solvent extraction with a three-dimensional reticulated hollow-strut SiC foam microchannel reactor

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Chinese Journal of Chemical Engineering 2022年第6期35卷 53-62页

作者： Ye Zhang Yong gao Peng Wang Duo Na Zhenming Yang Jinsong Zhang School of Materials Science and Engineering Northeastern UniversityShenyang 110819China Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China

Recently,there has been considerable interest in the use of microchannel reactors for hydrometallurgy of rare earths(REs).Here,a novel integrated microchannel reactor based on the hollow-strut SiC foam material is presented and demonstrated to extract Ce^(3+)and Pr^(3+)using 2-ethylhexyl phosphoric acid mono-2-ethylhexyl ester(P507)as the *** typical three-dimensional reticulated structure of the hollow-strut SiC foam was characterized by scanning electron microscopy and X-ray micro computed *** the reactor’s structure plays a key role in fluid mixing and mass diffusion during the extraction process,the structure-performance relationship of the foam was studied by extraction experiments combined with numerical *** the foam with the optimal structure,the influence of the flow rate Q_(0) of the two liquid phases on the extraction efficiency η and overall volume mass transfer coefficient KLa was *** both RE ions,with increasing Q_(0),η decreases while KLa *** the total flow rate of the two phases of 4 ml·min^(-1),the η values of Pr^(3+)and Ce^(3+)reached 98.7%and 97.0%,*** the total flow rate of 36 ml·min^(-1) which was much higher than that of many other microchannel reactors reported in the literatures,the η values of Pr^(3+)and Ce^(3+)still reached 92.2%and 86.9%,respectively,and the KLa values of Pr^(3+)and Ce^(3+)were 0.198 and 0.161 s^(-1),respectively,similar to the high values reported for other microchannel reactors studied in previous *** findings indicate that the hollow-strut SiC foam microchannel reactor is suitable for use in REs extraction.

关键词： Extraction Hollow Foam Microchannels Numerical simulation

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Acute toxicity assessment of drinking water source with luminescent bacteria: Impact of environmental conditions and a case study in Luoma Lake, East China

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Frontiers of Environmental Science & Engineering 2020年第6期14卷 201-209页

作者： Xuewen Yi Zhanqi gao Lanhua Liu Qian Zhu Guanjiu Hu Xiaohong Zhou College of Environmental and Chemical Engineering Shanghai UniversityShanghai 200444China State Environmental Protection Key Laboratory of Monitoring and Analysis for Organic Pollutants in Surface Water Jiangsu Environmental Monitoring CenterNanjing 210036China State Key Joint Laboratory of ESPC School of EnvironmentTsinghua UniversityBeijing 100084China

Protecting the quality of lake watersheds by preventing and reducing their contamination is an effective approach to ensure the sustainability of the drinking water *** this study,acute toxicity assessment was conducted on the basis of acute bioluminescence inhibition assay using the marine bacterium Vibrio fischeri as the test organism and Luoma Lake drinking water source in East China as the research *** suitable ranges of environmental factors,including pH value,organic matter,turbidity,hardness,and dissolved oxygen of water samples were evaluated for the toxicity testing of bioluminescent *** physicochemical characteristics of water samples at the selected 43 sites of Luoma Lake watershed were *** showed that the variations in pH value(7.31-8.41),hardness(5-20°d)and dissolved oxygen(4.44-11.03 mg/L)of Luoma Lake and its main inflow and outflow rivers had negligible impacts on the acute toxicity testing of *** luminescence inhibition rates ranged from-11.21%to 10.80%at the 43 ***'s correlation analysis in the experiment revealed that temperature,pH value,hardness,and turbidity had no correlation with luminescence inhibition rate,whereas dissolved oxygen showed a weak statistically positive correlation with a Pearson correlation coefficient of 0.455(p<0.05).

关键词： Bioluminescent bacteria Acute toxicity Pearson correlation analysis Drinking water source Vibrio fischeri

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Structural Analysis of an Oligosaccharide and Glycopeptide Mixture from Panax Ginseng Root with Inhibition SHP-1 Function

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Chemical Research in Chinese Universities 2011年第1期27卷 104-107页

作者： WANG Ying gao Qi-pin LI Gui-rong CHEN Ying-hong LUO Hao-ming gao Yang JIANG Rui-zhi College of Light Industry and Food South China University of Technology Guangzhou 510641 P R. China Center for New Medicine Research Changchun University of Chinese Medicine Changchun 130117 P R. China School of Pharmacy Yanbian University Yanji 133000 P. R. China Academy of Chinese Medicine and Material Medica of Jilin Province Changchun 130021 P R. China

A mixture of oligosaccharide and glycopeptide was isolated from the aqueous extract of Panax ginseng roots. The mixture inhibits protein tyrosinc phosphatase（SHP-1） function, implying it enhances immune activity. The peak molecular mass of the oligosaccharide portion is 1800 calculated via GPC software after separation by HPLC. And the structure of the oligosaccharide portion is the backbone of （1→3）- and （1→4）-linked arabinopyranoside, and （1→4）- and （1→6）-linked glucopyranoside, with non-reducing terminals of arabinopyranoside and glucopyranoside. The peak molecular mass of glycopeptide portion is 1900 calculated via GPC software after separation by HPLC. The structure of glycopeptide portion is the backbone of （1→3）- and （1→4）-linked arabinopyranoside, and （1→3,6）-linked glucopyranoside, with non-reducing terminals of galactopyranose and glucopyranoside. The peptide composition is Glu. Asp, Hyp, Set, Arg, Gly , Thr, Pro, Ala, Val, lie, Leu and Lys. The oligosaccharide-peptide linkage is formed by Ara and Hyp.

关键词： Panax ginseng Oligosaccharide Glycopeptide Protein tyrosine phosphatase(SHP-1) Methylation analysis

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