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DDI-Transform:A neural network for predicting drug-drug interaction events

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Quantitative Biology 2024年第2期12卷 155-163页

作者： Jiaming su Ying Qian School of Computer Science and Technology Shanghai Frontiers Science Center of Molecule Intelligent SynthesesEast China Normal UniversityShanghaiChina

Drug-drug interaction(DDI)event prediction is a challenging problem,and accurate prediction of DDI events is critical to patient health and new drug ***,many machine learning-based techniques have been proposed for predicting DDI ***,most of the existing methods do not effectively integrate the multidimensional features of drugs and provide poor mitigation of noise to get effective feature *** address these limitations,we propose a DDI-Transform neural network framework for DDI event *** DDI-Transform,we design a drug structure information feature extraction module and a drug bind-protein feature extraction module to obtain multidimensional feature information.A stack of DDI-Transform layers in the DDI-Transform network module are then used for adaptive learning,thus adaptively selecting the effective feature information for *** results show that DDI-Transform can accurately predict DDI events and outperform the state-of-the-art *** on different scale datasets confirm the robustness of the method.

关键词： adaptive learning graph convolutional networks interaction prediction meta-path

Design methodology of a mini-missile considering flight performance and guidance precision

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Journal of Systems Engineering and Electronics 2024年第1期35卷 195-210页

作者： ZHAng Licong GOng Chunlin su Hua ANDREA Da Ronch Shaanxi Aerospace Flight Vehicle Design Key Laboratory School of AstronauticsNorthwestern Polytechnical UniversityXi’an 710072China Faculty of Engineering and Physical Sciences University of SouthamptonSouthampton SO171BJUnited Kingdom

The design of mini-missiles(MMs)presents several novel *** stringent mission requirement to reach a target with a certain precision imposes a high guidance *** miniaturization of the size of MMs makes the design of the guidance,navigation,and control(GNC)have a larger-thanbefore impact on the main-body design(shape,motor,and layout design)and its design objective,i.e.,flight *** a trade-off between flight performance and guidance precision,all the relevant interactions have to be accounted for in the design of the main body and the GNC ***,a multi-objective and multidisciplinary design optimization(MDO)is *** pertinent to motor,aerodynamics,layout,trajectory,flight dynamics,control,and guidance are included in the proposed MDO *** optimization problem seeks to maximize the range and minimize the guidance *** problem is solved by using the nondominated sorting genetic algorithm *** optimum design that balances a longer range with a smaller guidance error is ***,lessons learned about the design of the MM and insights into the trade-off between flight performance and guidance precision are given by comparing the optimum design to a design provided by the traditional approach.

关键词： mini-missiles(MMs) guidance navigation and control(GNC)system multi-objective optimization multidisciplinary design optimization(MDO) flight performance guidance precision

Water–solid contact electrification and catalysis adjusted by surface functional groups

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Nano Research 2024年第4期17卷 3344-3351页

作者： Yusen su Andy Berbille Zhong Lin Wang Wei Tang CAS Center for Excellence in Nanoscience Beijing Institute of Nanoenergy and NanosystemsChinese Academy of SciencesBeijing100083China School of Nanoscience and Technology University of Chinese Academy of SciencesBeijing100049China Georgia Institute of Technology AtlantaGA 30332-0245USA

Chemical functional groups on solid surfaces greatly influence contact electrification(CE)at water–solid *** studies of their effects mainly swapped materials or bonded related molecules to a substrate,introducing other factors of *** work aims at unambiguously demonstrating the role of functional groups in water-polymer *** study the contribution of functional groups,by using ion coupled plasma etching to modify a high-density polyethylene(HDPE)film,a polymer with a naturally quasi-null charge transfer ***(HDPE–F)and hydroxyl(HDPE–OH)functional groups are generated and endowed HDPE with charge withdrawing ***–F withdraws 2.5–2.7 times more charges than HDPE–***,the surface charges accumulated generate electrostatic forces,altering the droplets *** phenomenon provides another approach to study CE,helping to evaluate the contribution of electrons to solid–liquid ***,employing HDPE–F to perform contact-electro-catalysis shows its activity is 2.4 times higher than that of commercial fluorinated films.

关键词： contact-electro-catalysis charge transfer solid–liquid interfaces contact electrification

Electroactivity of the magnetotactic bacteria Magnetospirillum magneticum AMB-1 and Magnetospirillum gryphiswaldense MSR-1

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Frontiers of Environmental Science & Engineering 2024年第4期18卷 103-110页

作者： Mathias Fessler Qingxian su Marlene Mark Jensen Yifeng Zhang Department of Environmental and Resource Engineering Technical University of DenmarkCopenhagenDK-2800Denmark

Magnetotactic bacteria reside in sediments and stratified water *** are named after their ability to synthesize internal magnetic particles that allow them to align and swim along the Earth’s magnetic field ***,we show that two magnetotactic species,Magnetospirillum magneticum strain AMB-1 and Magnetospirillum gryphiswaldense strain MSR-1,are *** *** and *** were able to generate current in microbial fuel cells with maximum power densities of 27 and 11μW/m^(2),*** the presence of the electron shuttle resazurin both species were able to reduce the crystalline iron oxide hematite(Fe_(2)O_(3)).In addition,*** could reduce poorly crystalline iron oxide(FeOOH).Our study adds *** and *** to the growing list of known electroactive bacteria,and implies that electroactivity might be common for bacteria within the Magnetospirillum genus.

关键词： Magnetotactic bacteria Magnetospirillum magneticum Magnetospirillum gryphiswaldense Extracellular electron transfer Microbial fuel cells

Energy-Efficient Driving Strategy for High-Speed Trains with Considering the Checkpoints

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Chinese Journal of Electronics 2024年第3期33卷 847-858页

作者： Zixuan ZHAng Yuan CAO Shuai su State Key Laboratory of Rail Traffic Control and Safety Beijing Jiaotong University School of Electronic and Information Engineering Beijing Jiaotong University National Engineering Research Center of Rail Transportation Operation and Control System Beijing Jiaotong University Frontiers Science Center for Smart High-speed Railway System Beijing Jiaotong University

With rising energy prices and concerns about environmental issues,energy-efficient driving strategies(EEDS) for high-speed trains have received a substantial amount of *** particular,energy-saving schemes play a huge role in reducing the energy and operating costs of *** article studies the EEDS of high-speed trains at a given time.A well-posed model is formulated,in which the constraints of the checkpoints,in addition to the speed limits,vehicle dynamics,and discrete control throttle,are first *** a given control sequence,the Karush-Kuhn-Tucker(KKT) conditions are used to obtain the necessary conditions for an *** to several key equations of the necessary conditions,the checkpoint constraints are *** case studies are conducted based on the data of the Beijing-Shanghai high-speed line to illustrate the effectiveness of the proposed approach.

关键词： Energy consumption Costs Simulation Mathematical models Energy efficiency Vehicle dynamics Optimization

Artificial rabbit optimization algorithm based on chaotic mapping and Levy flight improvement

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The Journal of China Universities of Posts and Telecommunications 2024年第4期31卷 54-69页

作者： Wu Jin su Zhengdong Gao Yaqiong Feng Haoran School of Electronic Engineering Xi’an University of Posts and TelecommunicationsXi’an 710121China

An artificial rabbit optimization(ARO)algorithm based on chaotic mapping and Levy flight improvement is proposed,which has the advantages of good initial population quality and fast convergence compared with the traditional ARO algorithm,called *** is improved by applying three *** mapping is introduced,which can optimize the quality of the initial population of the *** Levy flight in the exploration phase,which can avoid the algorithm from falling into a local *** threshold of the energy factor is optimized,which can better balance exploration and *** efficiency of CLARO is tested on a set of 23 benchmark function sets by comparing it with ARO and different meta-heuristics *** last,the comparison experiments conclude that all three improvement strategies enhance the performance of ARO to some extent,with Levy flight providing the most significant improvement in ARO *** experimental results show that CLARO has better results and faster convergence compared to other algorithms,while successfully addressing the drawbacks of ARO and being able to face more challenging problems.

关键词： CLARO chaotic mapping Levy flight convergence

Reconstructing historical forest fire risk in the non-satellite era using the improved forest fire danger index and long short-term memory deep learning-a case study in Sichuan Province,southwestern China

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Forest Ecosystems 2024年第1期11卷 87-99页

作者： Yuwen Peng Huiyi su Min sun Mingshi Li Co-Innovation Center for sustainable Forestry in Southern China Nanjing Forestry UniversityNanjing 210037China College of Forestry Nanjing Forestry UniversityNanjing 210037China

Historical forest fire risk databases are vital for evaluating the effectiveness of past forest management approaches,enhancing forest fire warnings and emergency response capabilities,and accurately budgeting potential carbon emissions resulting from ***,due to the unavailability of spatial information technology,such databases are extremely difficult to build reliably and completely in the non-satellite *** study presented an improved forest fire risk reconstruction framework that integrates a deep learning-based time series prediction model and spatial interpolation to address the challenge in Sichuan Province,southwestern ***,the forest fire danger index(FFDI)was improved by supplementing slope and aspect *** compared the performances of three time series models,namely,the autoregressive integrated moving average(ARIMA),Prophet and long short-term memory(LSTM)in predicting the modified forest fire danger index(MFFDI).The bestperforming model was used to retrace the MFFDI of individual stations from 1941 to *** this,the Anusplin spatial interpolation method was used to map the distributions of the MFFDI at five-year intervals,which were then subjected to weighted overlay with the distance-to-river layer to generate forest fire risk maps for reconstructing the forest fire danger *** results revealed LSTM as the most accurate in fitting and predicting the historical MFFDI,with a fitting determination coefficient(R^2)of 0.709,mean square error(MSE)of0.047,and validation R^2 and MSE of 0.508 and 0.11,*** validation of the predicted forest fire risk maps indicated that 5 out of 7 historical forest fire events were located in forest fire-prone areas,which is higher than the results determined from the original FFDI(2 out of 7).This proves the effectiveness of the improved MFFDI and indicates a high level of reliability of the historical forest fire risk reconstruction method proposed in this stu

关键词： Forest fire risk reconstruction MFFDI Time series models LSTM ARIMA Prophet Anusplin

Transcriptomic and machine learning analyses identify hub genes of metabolism and host immune response that are associated with the progression of breast capsular contracture

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Genes & Diseases 2024年第3期11卷 427-437页

作者： Yukun Mao Xueying Hou su Fu Jie Luan Breast Plastic and Reconstructive surgery Center Plastic Surgery HospitalChinese Academy of Medical SciencesPeking Union Medical CollegeBeijing 100144China

Capsular contracture is a prevalent and severe complication that affects the post-operative outcomes of patients who receive silicone breast *** present,prosthesis replacement is the major treatment for capsular contracture after both breast augmentation procedures and breast reconstruction following breast cancer ***,the mecha-nism(s)underlying breast capsular contracture remains *** study aimed to identify the biological features of breast capsular contracture and reveal the potential underlying mechanism using RNA *** tissues from 12 female patients(15 breast capsules)were divided into low capsular contracture(LCC)and high capsular contracture(HCC)groups based on the Baker ***,41 lipid metabolism-related genes were identified through enrichment analysis,and three of these genes were identified as candidate genes by SVM-RFE and LASSO *** then compared the proportions of the 22 types of im-mune cells between the LCC and HCC groups using a CIBERSORT analysis and explored the Cor-relation between the candidate hub features and immune ***,PRKAR2B was positively correlated with the differentially clustered immune cells,which were M1 macro-phages and follicular helper T cells(area under the ROC=0.786).In addition,the expression of PRKAR2B at the mRNA or protein level was lower in the HCC group than in the LCC *** molecular mechanisms were identified based on the expression levels in the high and low PRKAR2B *** findings indicate that PRKAR2B is a novel diagnostic biomarker for breast capsular contracture and might also influence the grade and progression of capsularcontracture.

关键词： Biomarker Breastcapsular contracture Immune infiltration Machinelearning algorithms PRKAR2B

Mobility and dynamic erosion process of granular flow:insights from numerical investigation using material point method

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Journal of Mountain Science 2024年第8期21卷 2713-2738页

作者： YU Fangwei su Lijun LI Xinpo ZHAO Yu Institute of Mountain Hazards and Environment Chinese Academy of SciencesChengdu 610299China University of Chinese Academy of Sciences Beijing 100049China China-Pakistan Joint Research Center on Earth Sciences Islamabad 45320Pakistan Center for Excellence in Tibetan Plateau Earth Sciences Chinese Academy of SciencesBeijing 100101China College of Civil Engineering and Architecture Zhejiang UniversityHangzhou 310058China MOE Key Laboratory of Soft Soil and Geoenvironmental Engineering Zhejiang UniversityHangzhou 310058China

In order to understand the dynamics of granular flow on an erodible base soil,in this paper,a series of material point method-based granular column collapse tests were conducted to investigate numerically the mobility and dynamic erosion process of granular flow subjected to the complex settings,i.e.,the aspect ratio,granular mass,friction and dilatancy resistance,gravity and presence of water.A set of power scaling laws were proposed to describe the final deposit characteristics of granular flow by the relations of the normalized run-out distance and the normalized final height of granular flow against the aspect ratio,being greatly affected by the complex geological settings,e.g.,granular mass,the friction and dilatancy resistance of granular soil,and presence of water in granular *** index of the coefficient of friction of granular soil was defined as a ratio of the target coefficient of friction over the initial coefficient of friction to quantify the scaling extent of friction change(i.e.,friction strengthening or weakening).There is a characteristic aspect ratio of granular column corresponding to the maximum mobility of granular flow with the minimum index of the apparent coefficient of *** index of the repose coefficient of friction of granular flow decreased gradually with the increase in aspect ratio because higher potential energy of granular column at a larger aspect ratio causes a larger kinetic energy of granular soil to weaken the friction of granular soil as a kind of velocity-related friction *** increase in granular mass reduces gradually the indexes of the apparent and repose coefficients of friction of granular soil to enhance the mobility of granular *** mobility of granular flow increases gradually with the decrease in friction angle or increase in dilatancy angle of granular ***,the increase of gravity accelerates granular flow but showing the same final deposit profile without any dependence on ***

关键词： Column collapse Granular flow Granular soil Material point method Mobility Numerical tests