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Drug-Target Interactions Prediction Based on Signed Heterogeneous Graph Neural Networks

Chinese Journal of Electronics 2024年第1期33卷 231-244页

作者： Ming CHEN Yajian JIANG Xiujuan LEI Yi PAN Chunyan JI Wei JIANG college of Information Science and Engineering Hunan Normal University School of Computer Science Shaanxi Normal University Faculty of Computer Science and Control Engineering Shenzhen Institute of Advanced TechnologyChinese Academy of Sciences Computer Science Department BNU-HKBU United International College

Drug-target interactions(DTIs) prediction plays an important role in the process of drug *** computational methods treat it as a binary prediction problem, determining whether there are connections between drugs and targets while ignoring relational types information. Considering the positive or negative effects of DTIs will facilitate the study on comprehensive mechanisms of multiple drugs on a common target, in this work, we model DTIs on signed heterogeneous networks, through categorizing interaction patterns of DTIs and additionally extracting interactions within drug pairs and target protein pairs. We propose signed heterogeneous graph neural networks(SHGNNs), further put forward an end-to-end framework for signed DTIs prediction, called SHGNN-DTI,which not only adapts to signed bipartite networks, but also could naturally incorporate auxiliary information from drug-drug interactions(DDIs) and protein-protein interactions(PPIs). For the framework, we solve the message passing and aggregation problem on signed DTI networks, and consider different training modes on the whole networks consisting of DTIs, DDIs and PPIs. Experiments are conducted on two datasets extracted from Drug Bank and related databases, under different settings of initial inputs, embedding dimensions and training modes. The prediction results show excellent performance in terms of metric indicators, and the feasibility is further verified by the case study with two drugs on breast cancer.

关键词： Drugs Training Proteins Measurement Message passing Prediction methods Graph neural networks

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Hierarchical Fe_(x)Bi_(2−x)S_(3) solid solutions for boosted supercapacitor performance

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Nano Research 2024年第5期17卷 3997-4005页

作者： Fengming Zhou Xiaodong Wang Ruijie Jing Xiaoyu Li Qi Zhang Zhenjiang Li Yunmei Du Zhenyu Xiao Lei Wang international Cooperation united Laboratory of Eco-chemical Engineering and Green Manufacturing College of Chemistry and Molecular EngineeringQingdao University of Science and TechnologyQingdao 266042China Technology Innovation Center of Battery Safety and Energy Storage Technology QingdaoInternational Science and Technology Cooperation Base of QingdaoCollege of Environment and Safety EngineeringQingdao University of Science and TechnologyQingdao 266042China

For the pursuit of high energy supercapacitors,the development of high performance pseudocapacitance or battery-type negative electrode material is urgently needed to make up for the capacity shortage of commercial electric double layer capacitor(EDLC)type ***,a porous and defect-rich Fe_(x)Bi_(2-x)S_(3) solid solution structure is firstly constructed by employing Fe-doped Bi_(2)O_(2)CO_(3) porous nanosheets as a precursor,which presents dramatically increased energy storage performance than Bi_(2)S_(3) and FeS_(2) *** the optimized Fe_(x)Bi_(2-x)S_(3) solid solution(FeBiS-60%),the Fe solute is free and random dispersed in Bi_(2)S_(3) framework,which can effectively modulate the electronic structure of Bi element and introduce rich-defect due to the existence of Fe(II).Meanwhile,the FeBiS-60%,constructed by pore nanosheets that are assembled by self-supported basic nanorod units,presents rich mesoporous channels for fast mass transfer and abundant active sites for promoting capacity ***,a high capacitance of 832.8 F·g^(-1) at a current density of 1 A·g^(-1) is achieved by the FeBiS-60%***,a fabricated Ni3S_(2)@Co_(3)S_(4)(NCS)//FeBiS-60%hybrid supercapacitor device delivers an outstanding energy density of 85.33 Wh·kg^(-1) at the power density of 0.799 kW·kg^(-1),and ultra-long lifespan of remaining 86.7%initial capacitance after 8700 cycles.

关键词： supercapacitor solid solutions defect structure hierarchical structure Bi_(2)S_(3)

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Hydrothermally stable metal oxide-zeolite composite catalysts for low-temperature NO_(x) reduction with improved N_(2) selectivity

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Chinese Chemical Letters 2024年第6期35卷 515-523页

作者： Lijun Yan Shiqi Chen Penglu Wang Xiangyu Liu Lupeng Han Tingting Yan Yuejin Li Dengsong Zhang School of Environmental and Chemical Engineering International Joint Laboratory of Catalytic ChemistryCollege of SciencesShanghai UniversityShanghai 200444China BASF Environmental Catalyst and Metal Solutions IselinNJ 08830United States

Development of hydrothermally stable,low-temperature catalysts for controlling nitrogen oxides emissions from mobile sources remains an urgent *** have prepared a metal oxide-zeolite composite catalyst by depositing Mn active species on a mixture support of CeO_(2)/Al_(2)O_(3) and *** composite catalyst is hydrothermally stable and shows improved low-temperature SCR activity and significantly reduced N_(2)O formation than the corresponding metal oxide *** with a Cu-CHA catalyst,the composite catalyst has a faster response to NH_(3) injection and less NH_(3) *** characterization results reveal that such an oxide-zeolite composite catalyst contains more acidic sites and Mn^(3+)species as a result of oxide-zeolite interaction,and this interaction leads to the generation of more NH_(4)^(+)species bound to the Br?nsted acid sites and more reactive NOxspecies absorbed on the Mn ***,we report our mechanistic understanding of the oxide-zeolite composite catalyst and its molecular pathway for improving the low-temperature activity and N_(2) selectivity for NH_(3)-SCR ***,this work may provide an alternative methodology for low-temperature NO_(x) control from diesel vehicles.

关键词： Selective catalytic reduction Mn-based catalysts Hydrothermal stability N_(2) selectivity

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Design of high frequency broadband low insertion loss SAW filter at 3.5 GHz

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The Journal of China Universities of Posts and Telecommunications 2024年第2期31卷 55-61页

作者： Wang Wei Zhang Ying Wang Fang Wu Hao Ding Hui Xia Xu Wang Guanyu Xie Yingtao School of Optoelectronics Engineering/international Semiconductor college Chongqing University of Posts and TelecommunicationsChongqing 400065China

With the wide application of the fifth-generation mobile communication system(5G)technology,wireless communication equipment tends to develop in miniaturization,high frequency,and low *** this paper,a surface acoustic wave(SAW)filter with a center frequency of 3.5 GHz was ***,the acoustic waveguide structure of the longitudinal leaky SAW(LLSAW)excitation is determined,and the two-dimensional(2D)theoretical model of the device is established by COMSOL ***,the influence of electrode parameters on the performance of the device is studied,and the electrode parameters are optimized on this *** setting the device structure parameters reasonably,the spurious in the passband can be effectively ***,the center frequency of the mirror T-structure LLSAW filter is 3.536 GHz,the insertion loss is-1.414 dB,the bandwidth of-3 dB is 276 MHz,and the out-of-band rejection is greater than-30 dB.

关键词： surface acoustic wave(SAW) electrode spurious response mirror T-structure

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Progress in experimental models to investigate the in vivo and in vitro antidiabetic activity of drugs

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Animal Models and Experimental Medicine 2024年第3期7卷 297-309页

作者： Yasodha Krishna Janapati Sunil Junapudi School of Pharmacy&Health Sciences United States International University-AFRICA(USIU-A)NairobiKenya Department of Pharmaceutical Chemistry Geethanjali College of PharmacyKeesaraIndia

Diabetes mellitus is one of the world's most prevalent and complex metabolic disorders,and it is a rapidly growing global public health *** is characterized by hyperglycemia,a condition involving a high blood glucose level brought on by deficiencies in insulin secretion,decreased activity of insulin,or *** effects of diabetes include cardiovascular problems,retinopathy,neuropathy,nephropathy,and vascular alterations in both macro-and micro-blood *** vivo and in vitro models have always been important for investigating and characterizing disease pathogenesis,identifying targets,and reviewing novel treatment options and *** understanding these models is crucial for the researchers so this review summarizes the different experimental in vivo and in vitro model options used to study diabetes and its *** most popular in vivo studies involves the small animal models,such as rodent models,chemically induced diabetogens like streptozotocin and alloxan,and the possibility of deleting or overexpressing a specific gene by knockout and transgenic technologies on these *** models include virally induced models,diet/nutrition induced diabetic animals,surgically induced models or pancreatectomy models,and non-obese *** animals or non-rodent models like porcine(pig),canine(dog),nonhuman primate,and Zebrafish models are also *** in vitro models discussed are murine and human beta-cell lines and pancreatic islets,human stem cells,and organoid *** other enzymatic in vitro tests to assess diabetes include assay of amylase inhibition and inhibition ofα-glucosidase activity.

关键词： animal models diabetes mellitus typeⅠ diabetes mellitus typeⅡ in vitro and in vivo models

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AWells-Riley/based COVID-19 infectiousrisk assessment model combining both short rangeandroom scale effects

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Building Simulation 2024年第1期17卷 93-111页

作者： Yinshuai Feng Yifan Fan Xiaoyu Luo Jian Ge college of Civil Engineering and Architecture Zhejiang UniversityHangzhouChina Center for Balance Architecture Zhejiang UniversityHangzhouChina international Research Center for Green Building and Low-Carbon City International CampusZhejiang UniversityHainingChina

There is growing evidence of the high transmission potential of COVID-19 through virus-laden *** aerosols are inhaled in various concentrations,an overall assessment of transmission risks at different indoor scales is ***,a comprehensive risk assessment method that evaluates the direct link between short-range and room-scale zones is stl *** this paper,a risk assessment model combining both short-range and room-scale effects is developed to obtain effective reproduction number in confined indoor environments,called Turbulent Jet Wells Riley(TJWR)*** with the viral load data and aerosol generation data of different human respiratory activities,the Monte Carlo simulation method is applied to calculate the quanta emission rate,which further provides the input parameters of the TJWR *** known outbreaks(Hangzhou banquet hall X,Guangzhou restaurant Y,and Hong Kong restaurant Z,China)are chosen to validate the TJWR *** show that the TJWR model is more efficient than the original Wells-Riley *** average relative error of the TJWR model ranges between 9%and 44%,while for the Wells-Riley model,it ranges between 57%and 78%.The TJWR model also proves that infection risk assessments using the well-mixed assumption can systematically underestimate the transmission risk for those close to the ***,there is a significant positive linear correlation between the total number of exposed individuals at the short-range and the effective reproduction *** newly developed TJWR model has great potential for rapid and real-time overall airborne transmission risk assessment in buildings and cities.

关键词： COVID-19 airborne transmission infection risk Wells-Riley model Monte Carlo simulation

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US Imperialism and its Legacies in East Asia:Thucydides Trap orThrasymachus Paradox?

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Fudan Journal of the Humanities and Social Sciences 2024年第3期17卷 417-436页

作者： Mario Maritan international Relations and Global Affairs Social Science DivisionMahidol University International CollegeMahidol UniversitySalayaThailand

The US presence in East Asia is not simply a result of the victory over Japan in WW2,but a legacy of the US takeover of the Spanish overseas empire in ***,the threat of war between China and the US has little to do with Allison's Thucydides trap,which is based on a misreading of Thucydides'work:It originates from what in China is seen as a US imperial presence that mirrors Western inter-ference in Chinese affairs during the so-called“century of humiliation.”China is an authoritarian state with regional hegemonic ambitions,yet the West has been endorsing other authoritarian states,even absolute monarchies,that fit its geopoliti-cal *** the purported US support of“freedom”and“democ-racy,”the US in East Asia has been carrying out a foreign policy that,as an exten-sion of misinterpretations of the Monroe Doctrine,is a legacy of *** legacy is too often overlooked,while overseas interests are justified on the basis of secu-rity *** is relevant,but to compare the American and Athenian empires and their demise,not to drag China into US geopolitical discourse,when focus should have long been on ***-colonial theory shows how interstate relations,in particular in the East Asian context,are not defined by Thucydides trap,but Thrasymachus paradox.

关键词： US-Chinese relations Thucydides trap East Asia Cross-strait relations Imperialism

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Mitochondrial genomes of Tapes dorsatus and Cardita variegata:insights into Heteroconchia phylogeny

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Journal of Oceanology and Limnology 2024年第3期42卷 943-959页

作者： Xumin WANG Hua ZHANG Xindong TENG Wenhui SUN Zhikai XING Shuang WANG Xiumei LIU Jiangyong QU Lijun WANG college of Life Science Yantai UniversityYantai 264005China Qingdao international Travel Healthcare Center Qingdao 266071China

Heteroconchia,a widespread and abundant aquatic invertebrate,is an important clade of bivalve *** relationship between the three branches of Heteroconchia,Palaeoheterodonta,Archiheterodonta,and Euheterodonta has become a main controversy in molecular studies of the relationships between *** the present study,we assembled the complete mitochondrial genomes of Tapes dorsatus(Veneridae)and Cardita variegata(Carditidae)using high-throughput *** is the first mitochondrial genome belonging to the family Carditidae to be *** used 12 protein coding genes(excluding atp8)from the complete mitochondrial genomes of 146 species to recover the internal relationships of *** results support the traditional view of early branching of Palaeoheterodonta and the recovery of the monophyly of Palaeoheterodonta,Anomalodesmata,*** analysis show that gene arrangement within Venerida was highly ***-calibrated phylogenetic studies based on a relaxed molecular clock model suggested that Veneridae originated approximately 337.62 million years ago(Ma)and split into two major clades,whereas Carditidae originated approximately 510.09 *** results provide evidence of the internal relationships of Heteroconchia.

关键词： Tapes dorsatus Cardita variegata mitochondrial genome phylogeny

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Design strategies for rechargeable aqueous metal-ion batteries

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Science China Chemistry 2024年第1期67卷 165-190页

作者： Yang Li Xin Zhao Yifu Gao Yichen Ding Zhichun Si Liubing Dong Dong Zhou Feiyu Kang Tsinghua Shenzhen international Graduate School Tsinghua UniversityShenzhen 518055China college of Chemistry and Materials Science Jinan UniversityGuangzhou 511443China

Rechargeable aqueous metal-ion batteries(AMBs)have attracted extensive scientific and commercial interest due to their potential for cost-effective,highly safe,and scalable stationary energy ***,their limited output voltage,inadequate energy density,and poor reversibility of ambiguous electrode reactions in aqueous electrolytes strongly limit their practical *** review aims to elucidate the challenges of existing AMBs from the material design to whole device *** summarize the emerging electrochemistry,fundamental properties,and key issues in interfacial behaviors of various classes of prevailing AMBs,including aqueous alkali metal-ion batteries and multivalent-ion batteries,and present an appraisal of recent advances for addressing the performance ***,the progress of zinc-ion batteries is highlighted to provide a ubiquitous guideline for their commercialization in the grid-scale energy ***,we figure out the dominating general challenges for achieving high-performance AMBs,laying out a perspective for future breakthroughs.

关键词： aqueous metal-ion batteries aqueous alkali metal-ion batteries zinc-ion batteries interfacial behavior stationary energy storage

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A new type of lipophilic hydrophobic self-repairing cellulose insulating paper developed with ST-110/FAS/PTFE ternary system as coating substrate

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High Voltage 2024年第2期9卷 474-483页

作者： Zhenglin Zeng Jinshan Qin Zuhao Wang Weimin Tan Chao Tang college of Engineering and Technology Southwest UniversityChongqingChina international R&D Center for New Technologies of Smart Grid and Equipment ChongqingChina

The moisture generated by the ageing of the oil-paper insulating system can easily lead to the deterioration of the performance of the insulating *** order to alleviate the impact of moisture on the performance of the insulating paper,we developed a kind of lipophilic hydrophobic self-repairing cellulose insulating paper(new insulating paper)based on the ternary system of polytetrafluoroethylene,fluorocarbon surfactant and fluorinated alkyl silane,and accelerated thermal ageing test for 45 days at 130°C was carried *** experimental results show that the new insulating paper with excellent lipophilic property can realise hydrophobic self-repairing through heat treatment after physical *** tensile strength and elongation at break of the new insulating paper increased by 5%–8%and 6.25%–27%respectively compared with the original cellulose insulating *** the end of ageing,the relative dielectric constant and dielectric loss factor of new insulating paper are 10.4%and 9.9%lower than that of the original cel-lulose insulating paper,while the breakdown voltage is 6.8%*** acid and moisture content produced during the ageing process of the insulating oil impregnated with new insulating paper are also less,indicating that the coating can delay the ageing of the insulating paper.

关键词： coating moisture cellulose

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