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Novel berberine derivatives:Design,synthesis,antimicrobial effects,and molecular docking studies

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Chinese Journal of Natural Medicines 2018年第10期16卷 774-781页

作者： YAO Ling WU Ling-Ling LI Qian HU qin-Mei ZHANG Shu-Yuan LIU Kang jiang jian-qin School of Traditional Chinese Pharmacy China Pharmaceutical University

A series of berberine derivatives were synthesized by introducing substituted benzyl groups at *** these synthesized compounds（4a–4m）were screened for their in vitro antibacterial activity against four Gram-positive bacteria and four Gram-negative bacteria and evaluated for their antifungal activity against three pathogenic fungal *** these compounds displayed good antibacterial and antifungal activities,compared to reference drugs including Ciprofloxacin and Fluconazole;Compounds 4f,4g,and 4l showed the highest antibacterial and antifungal ***,all the synthesized compounds were docked into topoisomerase Ⅱ-DNA complex,which is a crucial drug target for the treatment of microbial *** results showed that H-bond,π-πstacked,π-cationic,andπ-anionic interactions were responsible for the strong binding of the compounds with the target protein-DNA complex.

关键词： Antimicrobial drugs Berberine derivatives Molecular docking Topoisomerase Ⅱ DNA gyrase SAR

On entire solutions of some Fermat type differential-difference equations

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Applied Mathematics(A Journal of Chinese Universities) 2024年第1期39卷 69-88页

作者： LONG jian-ren qin Da-zhuan School of Mathematical Sciences Guizhou Normal UniversityGuiyang 550025China

On one hand,we study the existence of transcendental entire solutions with finite order of the Fermat type difference *** the other hand,we also investigate the existence and growth of solutions of nonlinear different... 详细信息

关键词： entire solutions differential-difference equations existence finite order

C-CORE:Clustering by Code Representation to Prioritize Test Cases in Compiler Testing

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Computer Modeling in Engineering & Sciences 2024年第5期139卷 2069-2093页

作者： Wei Zhou Xincong jiang Chuan qin School of Electronic Information and Electrical Engineering Shanghai Jiao Tong UniversityShanghai200240China Hikvision Research Institute Hangzhou Hikvision Digital Technology Co.Ltd.Hangzhou310051China

Edge devices,due to their limited computational and storage resources,often require the use of compilers for program ***,ensuring the security and reliability of these compilers is of paramount importance in the emerging field of edge *** widely used testing method for this purpose is fuzz testing,which detects bugs by inputting random test cases into the target ***,this process consumes significant time and *** improve the efficiency of compiler fuzz testing,it is common practice to utilize test case prioritization *** researchers use machine learning to predict the code coverage of test cases,aiming to maximize the test capability for the target compiler by increasing the overall predicted coverage of the test ***,these methods can only forecast the code coverage of the compiler at a specific optimization level,potentially missing many optimization-related *** this paper,we introduce C-CORE(short for Clustering by Code Representation),the first framework to prioritize test cases according to their code representations,which are derived directly from the source *** approach avoids being limited to specific compiler states and extends to a broader range of compiler ***,we first train a scaled pre-trained programming language model to capture as many common features as possible from the test cases generated by a *** this pre-trained model,we then train two downstream models:one for predicting the likelihood of triggering a bug and another for identifying code representations associated with ***,we cluster the test cases according to their code representations and select the highest-scoring test case from each cluster as the high-quality test *** reduction in redundant testing cases leads to time *** evaluation results reveal that code representations are better at distinguishing test capabilities,and C-CORE significantly enhanc

关键词： Compiler testing test case prioritization code representation

The radiative decay of scalar glueball from lattice QCD

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Science China(Physics,Mechanics & Astronomy) 2024年第11期67卷 63-74页

作者： Jintao Zou Long-Cheng Gui Ying Chen Wen qin jian Liang Xiangyu jiang Yibo Yang Department of Physics Hunan Normal University and Key Laboratory of Low-Dimensional Quantum Structures and Quantum Control of Ministry of EducationChangsha 410081China Synergetic Innovation Center for Quantum Effects and Applications(SICQEA) Hunan Normal UniversityChangsha 410081China Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China Key Laboratory of Atomic and Subatomic Structure and Quantum Control(MOE) Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of MatterInstitute of Quantum MatterSouth China Normal UniversityGuangzhou 510006China Guangdong-Hong Kong Joint Laboratory of Quantum Matter Guangdong Provincial Key Laboratory of Nuclear ScienceSouthern Nuclear Science Computing CenterSouth China Normal UniversityGuangzhou 510006China CAS Key Laboratory of Theoretical Physics Institute of Theoretical PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China International Centre for Theoretical Physics Asia-Pacific Beijing 100190China School of Fundamental Physics and Mathematical Sciences Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesHangzhou 310024China

We perform the first lattice QCD study on the radiative decay of the scalar glueball to the vector mesonφin the quenched *** calculations are carried out on three gauge ensembles with different lattice spacings,which enable us to do the continuum *** first revisit the radiative J/ψdecay into the scalar glueball G and obtain the partial decay widthΓ(J/ψ→γG)=0.578(86)keV and the branching fraction Br(J/ψ→γG)=6.2(9)×10^(-3),which are in agreement with the previous lattice *** then extend the similar calculation to the process G→γφand get the partial decay widthΓ(G→γφ)=0.074(47)keV,which implies that the combined branching fraction of J/ψ→γG→γγφis as small as O(10^(-9))such that this process is hardly detected by the BESⅢexperiment even with the large J/ψsample of O(10^(10)).With the vector meson dominance model,the two-photon decay width of the scalar glueball is estimated to beΓ(G→γγ)=0.53(46)e V,which results in a large stickiness S(G)~O(10^(4))of the scalar glueball by assuming the stickiness of f_(2)(1270)to be one.

关键词： lattice QCD scalar glueball radiative decay

Empirical likelihood for spatial cross-sectional data models with matrix exponential spatial specification

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Applied Mathematics(A Journal of Chinese Universities) 2024年第1期39卷 125-139页

作者： LIU Yan RONG jian-rong qin Yong-song Nanning University Nanning 530200China Center for Applied Mathematics of Guangxi and College of Mathematics and Statistics Guangxi Normal UniversityGuilin 541004China

In this paper,we study spatial cross-sectional data models in the form of matrix exponential spatial specification(MESS),where MESS appears in both dependent and error *** empirical likelihood(EL)ratio statistics are established for the parameters of the MESS *** is shown that the limiting distributions of EL ratio statistics follow chi-square distributions,which are used to construct the confidence regions of model *** experiments are conducted to compare the performances of confidence regions based on EL method and normal approximation method.

关键词： MESS empirical likelihood con dence region

In situ regulating intimately connected heterostructure by decomposition of solid solution oxides toward high-efficient water oxidation

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Rare Metals 2024年第4期43卷 1557-1569页

作者： Shao-Fei Zhang Xiao-Lu Yin Jin Wang jian-Li Kang Tian-Tian Li Jin-Feng Sun Yong-Qiang Meng jian-jiang Wang Dian-Long Wang Kai-Qiang qin Hebei Key Laboratory of Flexible Functional Materials/Hebei Key Laboratory of Material Near-Net Forming Technology School of Materials Science and EngineeringHebei University of Science and TechnologyShijiazhuang050018China Key Laboratory of Advanced Ceramics and Machining Technology/Ministry of Education School of Materials Science and EngineeringTianjin UniversityTianjin300072China Electrochemical Engine Center Department of Mechanical EngineeringPennsylvania State UniversityUniversity ParkPA16802USA

Heterogeneous interfaces produced by interdomain interactions on a nanoscale performs a crucial role in boosting the properties of an electrocatalyst toward oxygen evolution reaction(OER)***,a series of dual-phase electrodes with intimately connected heterointerfaces are prepared by in situ decomposing solid solution oxide of Ni_(x)Co_(y)Fe_(100-x-y)O,which grew on Ni foam massively via an ultrafast combustion ***,with high-reaction kinetics caused by the reduction treatment at 450℃,the less electronegative Fe and Co are more oxyphilic than Ni,which facilitated their co-exsolution and formation of CoFe_2O_4/NiO oxide with enriched oxygen *** from the nanoporous framework,heterojunction structure,and oxygen defects,the self-supporting electrodes present rapid charge/mass transmission and provide abundant active sites for *** optimized sample(R-SNCF4.5)shows low overpotentials of 226 and 324 mV at 10 and100 mA·cm^(-2),a small Tafel slope(46.7 mV·dec^(-1)),and excellent *** assembled R-SNCF4.5//Pt/C/NF electrolyzer demonstrates continuous electrolysis over 50 h at a current density of 10 mA·cm^(-2),under 1.51 *** functional theory(DFT)calculations verify that the strong electronic modulation plays a critical part in the CoFe_2O_4/NiO hybrid by lowering the energy barriers for the ratedetermining steps,and Fe sites are the most active OER sites.

关键词： Rapid combustion Decomposition of solid solution oxide Dual-phase heterostructure Oxygen evolution reaction Theoretical calculation

Effect of Oxymatrine on the TGFbeta-Smad signaling pathway in rats with CCl_4-induced hepatic fibrosis

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World Journal of Gastroenterology 2008年第13期14卷 2100-2105页

作者： Xiao-Ling Wu Wei-Zheng Zeng Ming-De jiang jian-Ping qin Hui Xu Department of Digestion General Hospital of Chengdu Military Command Chengdu 610083 Sichuan Province China

AIM： To explore the anti-fibrotic effect of Oxymatrine on CCl4-induced liver fibrosis in rats and its modulation on the TGFbeta-Smad signaling pathway. METHODS： One hundred healthy male SD rats were randomly divided into three groups： normal group （n = 20）, treatment group of Oxymatrine （n = 40） and CCh-induced fibrosis group （n = 40）. Experimental hepatic fibrosis was induced by subcutaneous injection of carbon tetrachloride （CCh soluted in liquid paraffin with the concentration of 300 g/L, the dosage of injection was 3 mL/kg, twice per week for 8 wk）. The treated rats received Oxymatrine via celiac injection at a dosage of 10 mg/kg twice a week at the same time. The deposition of collagen was observed with H＆E and Masson staining. The concentration of serum TGF-β1 was assayed with ELISA. The gene expression of Smads and CBP （CREB binding protein） was detected with in situ hybridization （ISH） and immunohistochemistry （IH）, respectively. All the experimental figures were scanned and analyzed with special figure-analysis software. RESULTS： A significant reduction of collagen deposition and rearrangement of the parenchyma was noted in the liver tissue of Oxymatrine-treated rats. The semi- quantitative histological scores （2.43 ± 0.47 μm^2 vs 3.76 ±0.68, P 〈 0.05） and average area of collagen/in those rats were significantly decreased when compared with hepatic cirrhosis model rats （94.41 ± 37.26 μm^2 vs 290.86 ± 89.37 μm^2, P 〈 0.05）. The gene expression of Smad 3 mRNA was considerably decreased in the treated animals. The A value of Smad 3 mRNA was lower in the treated rats than the model rats （0.034 ± 0.090 vs 0.167 ± 0.092, P 〈 0.05）. Contrarily, the A value of Smad 7 mRNA was increased considerably in the treated animals （0.175 ± 0.065 vs 0.074 vs 0.012, P 〈 0.05）. There was an obvious decrease in the expression of CBP mRNA in treated rats as illuminated by a reduction of its A value when compared with model rats （0.065±0.049 vs 0.235 ± 0.025, P 〈 0.001）. CONCLUSI

关键词： Oxymatrine Hepatic Fibrosis TGF-Smad signaling

Control of fine particulate nitrate during severe winter haze in“2+26”cities

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Journal of Environmental Sciences 2024年第2期136卷 261-269页

作者： Chuang qin Xiao Fu Tao Wang jian Gao Jiaqi Wang Institute of Environment and Ecology Tsinghua Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055China Department of Civil and Environmental Engineering Hong Kong Polytechnic UniversityHong Kong 99907China State Key Laboratory of Environmental Criteria and Risk Assessment Chinese Research Academy of Environmental SciencesBeijing 10084China

The“2+26”cities,suffering the most severe winter haze pollution,have been the key region for air quality improvement in *** prominent nitrate pollution is one of the most challenging environmental issues in this region,necessitating development of an effective control ***,we use observations,and state-of-the-art model simulations with scenario analysis and process analysis to quantify the effectiveness of the future SO_(2)-NO_(X)-VOC-NH_(3) emission control on nitrate pollution mitigation in“2+26”*** on a serious winter haze episode,we find that limited NO_(X)emission reduction alone in the short-term period is a less effective choice than VOC or NH_3emission reduction alone to decrease nitrate concentrations,due to the accelerated NO_(X)-HNO_(3)conversion by atmospheric oxidants and the enhanced HNO_(3)to NO_(3)^(-)partition by ammonia,although deep NO_(X)emission reduction is essential in the long-term *** synergistic NH_(3) and VOC emission control is strongly recommended,which can counteract the adverse effects of nonlinear photochemistry and aerosol chemical feedback to decrease nitrate *** extra benefits will be reduced if the synergistic NH_(3) and VOC reduction is delayed,and thus reducing emission of multiple precursors is urgently required for the effective control of increasingly severe winter nitrate pollution in“2+26”cities.

关键词： Nitrate Winter haze pollution Emission reduction “2+26”cities

Associative Tasks Computing Offloading Scheme in Internet of Medical Things with Deep Reinforcement Learning

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China Communications 2024年第4期21卷 38-52页

作者： jiang Fan qin Junwei Liu Lei Tian Hui School of Communications and Information Engineering Xi’an University of Posts and TelecommunicationsXi’an 710121China State Key Laboratory of Networking and Switching Technology Beijing University of Posts and TelecommunicationsBeijing 100876China

The Internet of Medical Things(Io MT) is regarded as a critical technology for intelligent healthcare in the foreseeable 6G era. Nevertheless, due to the limited computing power capability of edge devices and task-related coupling relationships, Io MT faces unprecedented challenges. Considering the associative connections among tasks, this paper proposes a computing offloading policy for multiple-user devices(UDs) considering device-to-device(D2D) communication and a multi-access edge computing(MEC)technique under the scenario of Io MT. Specifically,to minimize the total delay and energy consumption concerning the requirement of Io MT, we first analyze and model the detailed local execution, MEC execution, D2D execution, and associated tasks offloading exchange model. Consequently, the associated tasks’ offloading scheme of multi-UDs is formulated as a mixed-integer nonconvex optimization problem. Considering the advantages of deep reinforcement learning(DRL) in processing tasks related to coupling relationships, a Double DQN based associative tasks computing offloading(DDATO) algorithm is then proposed to obtain the optimal solution, which can make the best offloading decision under the condition that tasks of UDs are associative. Furthermore, to reduce the complexity of the DDATO algorithm, the cacheaided procedure is intentionally introduced before the data training process. This avoids redundant offloading and computing procedures concerning tasks that previously have already been cached by other UDs. In addition, we use a dynamic ε-greedy strategy in the action selection section of the algorithm, thus preventing the algorithm from falling into a locally optimal solution. Simulation results demonstrate that compared with other existing methods for associative task models concerning different structures in the Io MT network, the proposed algorithm can lower the total cost more effectively and efficiently while also providing a tradeoff between delay and energy co

关键词： associative tasks cache-aided procedure double deep Q-network Internet of Medical Things(IoMT) multi-access edge computing(MEC)