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Rapid discovery of two unprecedented meroterpenoids from Daphne altaica *** molecular networking integrated with MolNetEnhancer and Network Annotation Propagation

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Chinese Chemical Letters 2024年第8期35卷 294-298页

作者： wei-yu zhou Zi-Han Xi Ning-Ning Du Li Ye Ming-Hao Jiang Jin-Le Hao Bin Lin Guo-Dong Yao Xiao-Xiao Huang Shao-Jiang Song Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research&Development Liaoning ProvinceEngineering Research Center of Natural Medicine Active Molecule Research&DevelopmentLiaoning ProvinceKey Laboratory of Natural Bioactive Compounds Discovery&ModificationShenyangSchool of Traditional Chinese Materia Medic1Shenyang Pharmaceutical UniversityShenyang 110016China Key Laboratory of Structure-Based Drug Design and Discovery of Ministry of Education Shenyang Pharmaceutical UniversityShenyang 110016China Wuya College of Innovation Shenyang Pharmaceutical UniversityShenyang 110016China

Under the guidance of the approach which integrates molecular networking,MolNetEnhancer and Net-work Annotation Propagation(NAP),daphnaltaicanoids A and B(1 and 2)with unprecedented 9-oxa-tetracyclo[6.***.1.0^(2,6).0^(8,13)]pentadecane and tetracyclo[5.***.0.1^(2,5).2^(4,11)]tridecane central frameworks were iso-lated from Daphne altaica Pall.,representing two types of unparalleled meroterpenoid *** struc-tures were elucidated by extensive spectroscopic analysis,nuclear magnetic resonance(NMR)calcula-tions,DP4+analysis and electronic circular dichroism(ECD)*** plausible biosynthetic path-ways for 1 and 2 were ***,2 exerted potent neuroprotective activities which were su-perior to trolox at 12.5 and 25μmol/***,1 and 2 exhibited more noticeable acetylcholinesterase inhibitory activities than *** docking simulations were performed to explore the inter-molecular interaction of compounds 1 and 2 with *** bioactivity evaluation results highlight the prospects of 1 and 2 as a novel category of neurological agents.

关键词： Daphne altaica Pall. Molecular networking MolNetEnhancer NAP Unprecedented meroterpenoid frameworks Neuroprotective activities Acetylcholinesterase inhibitors

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Crohn’s disease as the intestinal manifestation of pan-lymphatic dysfunction:An exploratory proposal based on basic and clinical data

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World Journal of Gastroenterology 2024年第1期30卷 34-49页

作者： yu-wei zhou yue Ren Miao-Miao Lu Ling-Ling Xu wei-Xin Cheng Meng-Meng Zhang Lin-Ping Ding Dong Chen Jian-Guo Gao Juan Du Ci-Liang Jin Chun-Xiao Chen yun-Fei Li Tao Cheng Peng-Lei Jiang Yi-Da Yang Peng-Xu Qian Peng-Fei Xu Xi Jin Department of Gastroenterology The First Affiliated Hospital of Zhejiang University School of MedicineHangzhou 310003Zhejiang ProvinceChina Department of Gastroenterology The Second Hospital of JiaxingJiaxing 314000Zhejiang ProvinceChina Endoscopy Center Children’s Hospital of Zhejiang University School of MedicineHangzhou 310003Zhejiang ProvinceChina Department of Gastroenterology The Second People’s Hospital of Yuhang DistrictHangzhou 310000Zhejiang ProvinceChina Department of Gastroenterology Hangzhou Shangcheng District People’s HospitalHangzhou 310003Zhejiang ProvinceChina Department of Colorectal Surgery The First Affiliated Hospital of Zhejiang University School of MedicineHangzhou 310003Zhejiang ProvinceChina Department of Gastroenterology The First Affiliated Hospital of Wenzhou Medical UniversityWenzhou 325000Zhejiang ProvinceChina Women’s Hospital and Institute of Genetics Zhejiang University School of MedicineHangzhou 310000Zhejiang ProvinceChina Center of Stem Cell and Regenerative Medicine and Bone Marrow Transplantation CenterThe First Affiliated Hospital of Zhejiang University School of MedicineHangzhou 310003Zhejiang ProvinceChina Department of Infectious Disease The First Affiliated Hospital of Zhejiang University School of MedicineHangzhou 310003Zhejiang ProvinceChina

Crohn’s disease(CD)is caused by immune,environmental,and genetic *** can involve the entire gastrointestinal tract,and although its prevalence is rapidly increasing its etiology remains *** biological and small-molecule drugs have advanced the treatment of CD;however,a considerable proportion of patients are non-responsive to all known *** achieve a breakthrough in this field,innovations that could guide the further development of effective therapies are of utmost *** this review,we first propose the innovative concept of pan-lymphatic dysfunction for the general distribution of lymphatic dysfunction in various diseases,and suggest that CD is the intestinal manifestation of pan-lymphatic dysfunction based on basic and clinical preliminary *** supporting evidence is fully summarized,including the existence of lymphatic system dysfunction,recognition of the inside-out model,disorders of immune cells,changes in cell plasticity,partial overlap of the underlying mechanisms,and common gut-derived fatty and bile acid *** benefit of this novel concept is that it proposes adopting the zebrafish model for studying intestinal diseases,especially CD,as this model is good at presenting and mimicking lymphatic *** importantly,the ensuing focus on improving lymphatic function may lead to novel and promising therapeutic strategies for CD.

关键词： Inflammatory bowel disease Crohn’s disease Lymphatic system Inside-out model Immune cells Zebrafish

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Percutaneous coronary Intervention for ostial occlusion lesion of an anomalous right coronary artery

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Journal of Geriatric Cardiology 2009年第3期6卷 189-192页

作者： Shi-wei Yang yu-Jie zhou Department of Cardiology Beijing Anzhen Hospital Affiliated to Capital Medical University Beijing 100029 China

Ostial lesions present many challenges for percutaneous coronary intervention （PCI）. Coronary anomaly will further increase difficulties in performing PCI for the patient. We present such a case as ostial occlusion of an right coronary artery with high takeoff. A 77-year-old male was referred to our institution with a diagnosis of non-ST elevated acute myocardial infarction. Selective coronary angiography and nonselective ascending aortography could not identify the origin of the right coronary artery. Multi-slices computed tomography showed RCA ostial totally occluded. A successful PCI was performed and a perfect final result was achieved utilized with many tips and tricks, including buddy wtre technique and focused-force angloplasty（J Genatr Cardio12009, 6：189-192）.

关键词： ostial lesions high takeoff percutaneous coronary intervention buddy wire focused-force angioplasty

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Research on the novel asymmetric frequency division duplex technique

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The Journal of China Universities of Posts and Telecommunications 2006年第4期13卷 13-18页

作者： ZHANG Ying-hai WANG wei-dong DONG yu zhou Kai-Jie Information and Electronics Technology Laboratory Beijing University of Posts and Telecommunications Beijing 100876 China

This article introduces a novel duplex transmission technique-asymmetric frequency division duplex （AFDD）. One of the characteristics in future mobile systems is asymmetric characteristic caused by service requirement and electromagnetic radiation, AFDD is designed to adapt to the new asymmetric characteristics. The AFDD puts forward a novel adaptive frequency-allocation scheme in downlink and uplink. Combining AFDD with code division multiple access （CDMA） communication system, it is proven that AFDD improves the capacity and coverage of the system compare with FDD CDMA system.

关键词： asymmetric characteristics AFDD Duplex Mobile communications

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Electronic Structure and Catalysis on (001) Polar Surface of Cubic Zirconia

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Chemical Research in Chinese Universities 2010年第3期26卷 460-464页

作者： SHEN Pei-jun DING wei-zhong zhou yu-ding HUANG Shao-qing Department of Materials Science and Engineering Shanghai University Shanghai 200072 P. R. China

The electronic structure of （001） polar surface of cubic zirconia was studied by GGA（WC） approximation. We found the cubic lattice near （001） surface showed an intensive tendency to transfer to tetragonal lattice. The metallic state appeared on both the terminations. For O-termination, some O2p states were vacated and hole carriers concentrated on surface oxygen-ions. For Zr-termination, some Zr4d states became partial occupied for the loss of O2p states. We observed the hole states were mainly localized at the corresponding ions on surface for both the terminations, while the charge states on Zr-termination were dispersed on surface.

关键词： Polar surface Electronic structure Hole/charge distribution Cataylsis Article

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Enhancing Isolated Ti(Ⅳ) Framework Sites in HMS

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Chemical Research in Chinese Universities 2007年第2期23卷 127-130页

作者： yu wei-hua zhou Chun-hui NI Zhe-ming GE Zhong-hua College of Chemical Engineering and Materials Science Zhejiang University of Technology Hangzhou 310024 P. R. China

Ti-HMS materials were prepared by grafting titanocene onto the inner wails of hexagonal mesoporous silica （HMS）. The materials were characterized via powder X-ray diffraction, N2 adsorption-desorption isotherms, diffuse reflectance UV-Vis spectroscopy, and thermo-gravimetric analysis. The template of HMS was removed by calcination, ethanol-extraction, and ethanol-extraction followed by hydrolysis. The available grafting sites of OH groups depend on the different template removal methods of HMS. Ethanol-extraction followed by hydrolysis favors site-isolated Ti atoms in HMS. The catalytic performances of Ti-HMS materials were tested in the oxidation of 4-tert-butyholuene with aqueous hydrogen peroxide. Ti-HMS prepared from HMS via the processing of ethanol-extraction followed by hydrolysis as support gave a maximum conversion of 7. 5% and a complete selectivity to 4-tert-butyl-benzaldehyde, and showed a higher activity compared with those prepared by calcination and ethanol-extraction.

关键词： Ti-HMS Grafting Oxidation 4-tert-Butyltoluene

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Co,K-Supported Hexagonal Mesoporous Silicas for Catalytic Oxidation of 4-t-Butyltoluene

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Chemical Research in Chinese Universities 2010年第4期26卷 622-625页

作者： yu wei-hua zhou Chun-hui TONG Dong-shen FANG Mei ZHANG Bo Research Group for Advanced Materials ＆ Sustainable Catalysis（AMSC） College of Chemical Engineering and Materials Science Zhejiang University of Technology Hangzhou 310014 P R. China

Co,K-Supported hexagonal mesoporous silicas（HMS） have been prepared by incipient wetness impregnation with cobalt acetate tetrahydrate and potassium acetate as metal precursors, and ethylene glycol as impregnation solvent. The products have been characterized via powder X-ray diffraction, N2 adsorption-desorption isotherms and diffuse reflectance UV-Vis spectroscopy. The divalent cobalt with a tetrahedral oxygen coordination exists mainly in the calcined samples. The catalytic properties have been tested for the oxidation of 4-t-butyltoluene with dioxygen in liquid phase at mild conditions. The products offered good catalytic activities in the oxidation reactions. Co-K-HMS catalyst with loading 4% Co and 2% K（mass fraction） affords a higher yield（22.4%） of 4-t-butylbenzaldehyde at a conversion of 28.3% under the reaction conditions. Adding a proper amount of potassium in Co-HMS results in an improvement catalytic activity and stability.

关键词： Mesoporous silica Catalyst Cobalt Potassium Oxidation

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A hybrid physics-informed data-driven neural network for CO_(2) storage in depleted shale reservoirs

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Petroleum Science 2024年第1期21卷 286-301页

作者： Yan-wei Wang Zhen-Xue Dai Gui-Sheng Wang Li Chen yu-zhou Xia yu-Hao zhou College of Construction Engineering Jilin UniversityChangchun130026JilinChina Institute of Intelligent Simulation and Early Warning for Subsurface Environment Jilin UniversityChangchun130026JilinChina School of Energy Resources China University of GeosciencesBeijing100083China Department of Safety Environmental Protection and Quality ManagementShengli OilfieldSinopecDongying257000ShandongChina Key Laboratory of Thermo-Fluid Science and Engineering of MOE School of Energy and Power EngineeringXi'an Jiaotong UniversityXi'an710049ShaanxiChina College of Computer Science and Technology China University of Petroleum(East China)Qingdao266580ShandongChina Department of Physics University of FribourgFribourg1700Switzerland

To reduce CO_(2) emissions in response to global climate change,shale reservoirs could be ideal candidates for long-term carbon geo-sequestration involving multi-scale transport ***,most current CO_(2) sequestration models do not adequately consider multiple transport ***,the evaluation of CO_(2) storage processes usually involves laborious and time-consuming numerical simulations unsuitable for practical prediction and *** this paper,an integrated model involving gas diffusion,adsorption,dissolution,slip flow,and Darcy flow is proposed to accurately characterize CO_(2) storage in depleted shale reservoirs,supporting the establishment of a training *** this basis,a hybrid physics-informed data-driven neural network(HPDNN)is developed as a deep learning surrogate for prediction and *** incorporating multiple sources of scientific knowledge,the HPDNN can be configured with limited simulation resources,significantly accelerating the forward and inversion ***,the HPDNN can more intelligently predict injection performance,precisely perform reservoir parameter inversion,and reasonably evaluate the CO_(2) storage capacity under complicated *** validation and test results demonstrate that the HPDNN can ensure high accuracy and strong robustness across an extensive applicability range when dealing with field data with multiple noise *** study has tremendous potential to replace traditional modeling tools for predicting and making decisions about CO_(2) storage projects in depleted shale reservoirs.

关键词： Deep learning Physics-informed data-driven neural network Depleted shale reservoirs CO_(2)storage Transport mechanisms

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Molecular mechanism of Xuebijing in treating pyogenic liver abscess complicated with sepsis

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World Journal of Emergency Medicine 2024年第1期15卷 35-40页

作者： wei zhou Maiying Fan Xiang Li Fang yu En zhou Xiaotong Han Department of Emergency Medicine the First Affi liated Hospital of Hunan Normal University/Hunan Provincial People’s HospitalChangsha 410005China Department of Otolaryngology-head and Neck Surgery the First Affi liated Hospital of Hunan Normal University/Hunan Provincial People’s HospitalChangsha 410005China

BACKGROUND:Xuebijing(XBJ)can alleviate the inflammatory response,improve organ function,and shorten the intensive care unit(ICU)stay in patients with pyogenic liver abscess(PLA)complicated with sepsis,but the molecular mechanisms have not been *** study aimed to explore the molecular mechanism of XBJ in treating PLA complicated with sepsis using a network pharmacology ***:The active ingredients and targets of XBJ were retrieved from the ETCM *** targets related to PLA and sepsis were retrieved from the GeneCards,PharmGKB,DisGeNet,Online Mendelian Inheritance in Man(OMIM),Therapeutic Targets Database(TTD),and DrugBank *** targets of PLA complicated with sepsis were mapped to the targets of XBJ to identify potential treatment ***-protein interaction networks were analyzed using the STRING *** treatment targets were imported into the Metascape platform for Gene Ontology(GO)functional enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment *** docking was performed to validate the interactions between active ingredients and core ***:XBJ was found to have 54 potential treatment targets for PLA complicated with ***-1β(IL-1β),interleukin-6(IL-6),and tumor necrosis factor(TNF)were identifi ed as core *** enrichment analysis revealed important pathways,including the interleukin-17(IL-17)signaling pathway,the TNF signaling pathway,the nuclear factor-kappa B(NF-κB)signaling pathway,and the Toll-like receptor(TLR)signaling *** docking experiments indicated stable binding between XBJ active ingredients and core ***:XBJ may exert therapeutic eff ects on PLA complicated with sepsis by modulating signaling pathways,such as the IL-17,TNF,NF-κB,and TLR pathways,and targeting IL-1β,IL-6,and TNF.

关键词： Xuebijing injection Pyogenic liver abscess Sepsis

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Electromagnetic scattering and imaging simulation of extremely large-scale sea-ship scene based on GPU parallel technology

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Journal of Electronic Science and Technology 2024年第2期22卷 16-23页

作者： Cheng-wei Zhang Zhi-Qin Zhao wei Yang Li-Lai zhou Hai-yu Zhu Southwest China Institute of Electronic Technology Chengdu610036China School of Electronic Science and Engineering University of Electronic Science and Technology of ChinaChengdu611731China Tencent Company Shenzhen518054China

Aiming to solve the bottleneck problem of electromagnetic scattering simulation in the scenes of extremely large-scale seas and ships,a high-frequency method by using graphics processing unit(GPU)parallel acceleration technique is *** the implementation of different electromagnetic methods of physical optics(PO),shooting and bouncing ray(SBR),and physical theory of diffraction(PTD),a parallel computing scheme based on the CPU-GPU parallel computing scheme is realized to balance computing ***,a multi-GPU framework is further proposed to solve the computational difficulty caused by the massive number of ray tubes in the ray tracing *** using the established simulation platform,signals of ships at different seas are simulated and their images are achieved as *** is shown that the higher sea states degrade the averaged peak signal-to-noise ratio(PSNR)of radar image.

关键词： Multi graphics processing unit Radar imaging Sea-ship Shooting and bouncing rays

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