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Descriptor-augmented machine learning for enzyme-chemical interaction predictions

Synthetic and Systems Biotechnology 2024年第2期9卷 259-268页

作者： Yilei Han Haoye zhang Zheni Zeng Zhiyuan Liu Diannan Lu Zheng Liu Department of Chemical Engineering Tsinghua UniversityBeijing100084China Department of Computer Science and Technology Tsinghua UniversityBeijing100084China

Descriptors play a pivotal role in enzyme design for the greener synthesis of biochemicals,as they could characterize enzymes and chemicals from the physicochemical and evolutionary *** study examined the effects of various descriptors on the performance of Random Forest model used for enzyme-chemical relationships *** curated activity data of seven specific enzyme families from the literature and developed the pipeline for evaluation the machine learning model performance using 10-fold *** influence of protein and chemical descriptors was assessed in three scenarios,which were predicting the activity of unknown relations between known enzymes and known chemicals(new relationship evaluation),predicting the activity of novel enzymes on known chemicals(new enzyme evaluation),and predicting the activity of new chemicals on known enzymes(new chemical evaluation).The results showed that protein descriptors significantly enhanced the classification performance of model on new enzyme evaluation in three out of the seven datasets with the greatest number of enzymes,whereas chemical descriptors appear no effect.A variety of sequence-based and structure-based protein descriptors were constructed,among which the esm-2.descriptor achieved the best *** enzyme families as labels showed that descriptors could cluster proteins well,which could explain the contributions of descriptors to the machine learning *** a counterpart,in the new chemical evaluation,chemical descriptors made significant improvement in four out of the seven datasets,while protein descriptors appear no *** attempted to evaluate the generalization ability of the model by correlating the statistics of the datasets with the performance of the *** results showed that datasets with higher sequence similarity were more likely to get better results in the new enzyme evaluation and datasets with more enzymes were more likely beneficial from the protein

关键词： Enzyme-substrate interaction Enzyme design Machine learning Descriptor

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A cost-efficient quantum access network with qubit-based synchronization

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Science China(Physics,Mechanics & Astronomy) 2024年第4期67卷 12-22页

作者： Chunfeng Huang Ye Chen Tingting Luo Wenjie He Xin Liu Zhenrong zhang Kejin Wei Guangxi Key Laboratory for Relativistic Astrophysics School of Physical Science and TechnologyGuangxi UniversityNanning 530004China Guangxi Key Laboratory of Multimedia Communications and Network Technology School of Computer Electronics and InformationGuangxi UniversityNanning 530004China

Quantum key distribution(QKD)is a physical layer encryption technique that enables two distant parties to exchange secure keys with information-theoretic *** the last two decades,QKD has transitioned from laboratory research to real-world applications,including multi-user quantum access networks(QANs).This network structure allows users to share a single-photon detector at a network node through time-division multiplexing,thereby significantly reducing the network ***,current QAN implementations require additional hardware for auxiliary tasks such as time *** address this issue,we propose a cost-efficient QAN that uses qubit-based *** this approach,the transmitted qubits facilitate time synchronization,eliminating the need for additional synchronization *** tested our scheme by implementing a network for two users and successfully achieved average secure key rates of 53.84 kbps and 71.90 kbps for each user over a 50-km commercial fiber *** addition,we investigated the capacity of the access network under cross-talk and loss *** simulation results demonstrate that this scheme can support a QAN with 64 users with key rates up to 1070 *** work provides a feasible and cost-effective way to implement a multi-user QKD network,further promoting the widespread application of QKD.

关键词： quantum key distribution quantum access network qubit-based synchronization

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Screening current in ultra-high-field non-insulated superconducting magnets

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Science China(Technological Sciences) 2024年第7期67卷 2255-2273页

作者： ZHOU BenZhe WANG Lei CHEN Yong WANG QiuLiang WANG KangShuai zhang ZiLi LIU JianHua University of Chinese Academy of Sciences Beijing 100049China Institute of Electrical Engineering Chinese Academy of SciencesBeijing 100190China

Screening current is recognized as one of the critical elements limiting the progression of superconducting magnets toward achieving higher magnetic fields. Currently, most non-insulated(NI) superconducting magnets consider the magnet as insulated when addressing the issue of screening current. However, the bypass current in the NI magnet can modify the actual history of magnetization, so the screening current in NI magnet will be different from that in the insulated magnet. This paper presents a novel method based on the homogenized T-A formulation(T is the current vector potential, and A is the magnetic vector potential), which enables real-time simulation of both the bypass current behavior and the implications of screening current in NI superconducting magnets, even when these magnets contain tens of thousands of turns. We have developed a 32.T NI hybrid superconducting magnet and validated the effectiveness of this method through experiments. Employing this efficacious method,we conducted a comprehensive calculation of screening current in NI magnets, comparing them with insulated magnets in terms of screening current-induced stress(SCIS), screening current-induced field(SCIF), and losses. The results indicate that in the NI insert coils, the sequential excitation of background coils and insert coils induces a reverse screening current, resulting in slightly lower SCIF and SCIS compared to those in the insulated magnets. The method and results can contribute to the enhancement of magnet design and provide valuable insights for the development of ultra-high fields(UHF) NI magnets.

关键词： ultra-high-field superconducting magnet screening current REBCO coil NI coil stress loss

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Joint Biomedical Entity and Relation Extraction Based on Multi-Granularity Convolutional Tokens Pairs of Labeling

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Computers, Materials & Continua 2024年第9期80卷 4325-4340页

作者： Zhaojie Sun Linlin Xing Longbo zhang Hongzhen Cai Maozu Guo Department of Computer Science and Technology Shandong University of TechnologyZibo255000China Department of Agricultural Engineering and Food Science Shandong University of TechnologyZibo255000China Department of Electrical and Information Engineering Beijing University of Civil Engineering and ArchitectureBeijing100044China

Extracting valuable information frombiomedical texts is one of the current research hotspots of concern to a wide range of *** biomedical corpus contains numerous complex long sentences and overlapping relational triples,making most generalized domain joint modeling methods difficult to apply effectively in this *** a complex semantic environment in biomedical texts,in this paper,we propose a novel perspective to perform joint entity and relation extraction;existing studies divide the relation triples into several steps or ***,the three elements in the relation triples are interdependent and inseparable,so we regard joint extraction as a tripartite classification *** the same time,fromthe perspective of triple classification,we design amulti-granularity 2. convolution to refine the word pair table and better utilize the dependencies between biomedical word ***,we use a biaffine predictor to assist in predicting the labels of word pairs for relation *** model(MCTPL)Multi-granularity Convolutional Tokens Pairs of Labeling better utilizes the elements of triples and improves the ability to extract overlapping triples compared to previous ***,we evaluated our model on two publicly accessible *** experimental results show that our model’s ability to extract relation triples on the CPI dataset improves the F1 score by 2.34%compared to the current optimal *** the DDI dataset,the F1 value improves the F1 value by 1.68%compared to the current optimal *** model achieved state-of-the-art performance compared to other baseline models in biomedical text entity relation extraction.

关键词： Deep learning biomedical joint extraction triple classification multi-granularity 2. convolution

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Intestinal microecological transplantation for a patient with chronic radiation enteritis:A case report

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World Journal of Gastroenterology 2024年第19期30卷 2603-2611页

作者： Lin Wang Yan Li Yu-Jing zhang Li-Hua Peng Department of Gastroenterology and Hepatology The First Medical CenterChinese PLA General HospitalBeijing 100853China Department of Gastroenterology and Hepatology Chinese PLA Medical SchoolBeijing 100853China

BACKGROUND The gut microbiota is strongly associated with radiation-induced gut *** study aimed to assess the effectiveness and safety of intestinal microecological transplantation for treating patients with chronic radiation *** SUMMARY A 64-year-old female with cervical cancer developed abdominal pain,diarrhea,and blood in the stool 1 year after *** electronic colonoscopy was performed to diagnose chronic radiation *** courses of intestinal microecological transplantation and full-length 16S rRNA microbiological analysis were *** patient experienced short-and long-term relief from symptoms without adverse *** 16S rRNA sequencing revealed significant differences in the intestinal flora’s composition between patient and healthy *** bacteria,such as Escherichia fergusonii and Romboutsia timonensis,were more in the *** bacteria such as Faecalibacterium prausnitzii,Fusicatenibacter saccharivorans,Ruminococcus bromii,and Bifidobacterium longum were more in the healthy *** microbiota transplantation resulted in a significant change in the patient's intestinal flora *** composition converged with the donor's flora,with an increase in core beneficial intestinal bacteria,such as Eubacterium rectale,and a decrease in pathogenic *** in the intestinal flora corresponded with the patients'alleviating clinical *** Intestinal microecological transplantation is an effective treatment for relieving the clinical symptoms of chronic radiation enteritis by altering the composition of the intestinal *** study provides a new approach for treating patients with chronic radiation enteritis.

关键词： Chronic radiation enteritis Gut microbial transplantation Intestinal microecology Cancer Quality of life Case report

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The Effects of the Geometry of a Current Collector with an Equal Open Ratio on Output Power of a Direct Methanol Fuel Cell

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Energy Engineering 2024年第5期121卷 1161-1172页

作者： Yingli Zhu Jiachi Xie Mingwei Zhu Jun zhang Miaomiao Li Tianjin Key Laboratory of Integrated Design and On-line Monitoring for Light Industry&Food Machinery and Equipment School of Mechanical EngineeringTianjin University of Science&TechnologyTianjin300222China Tianjin College University of Science and Technology BeijingTianjin301830China Jiangsu Key Laboratory of Precision and Micro-Manufacturing Technology College of Mechanical and Electrical EngineeringNanjing University of Aeronautics and AstronauticsNanjing210016China

The open ratio of a current collector has a great impact on direct methanol fuel cell(DMFC)*** a number of studies have investigated the influence of the open ratio of DMFC current collectors,far too little attention has been given to how geometry(including the shape and feature size of the flow field)affects a current collector with an equal open *** this paper,perforated and parallel current collectors with an equal open ratio of 50%and different feature sizes are designed,and the corresponding experimental results are shown to explain the geometry effects on the output power of the *** results indicate that the optimal feature sizes are between 2.and 2.5 mm for both perforated and parallel flow field in the current collectors with an equal open ratio of 50%.This means that for passive methanol fuel cells,to achieve the highest output power,the optimal feature size of the flow field in both anode and cathode current collectors is between 2.and 2.5 mm under the operating mode of this *** effects of rib and channel position are also investigated,and the results indicate that the optimum pattern depends on the feature sizes of the flow field.

关键词： Direct methanol fuel cell geometry open ratio current collector position

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An artificial systems,computational experiments and parallel execution-based surface electromyogram-driven anti-disturbance zeroing neurodynamic strategy for upper limb human-robot interaction control

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CAAI Transactions on Intelligence Technology 2024年第2期9卷 511-525页

作者： Yongbai Liu Keping Liu Gang Wang Jiliang zhang Yao Chou Zhongbo Sun Department of Mechanical Engineering Changchun University of TechnologyChangchunChina Department of Control Engineering Changchun University of TechnologyChangchunChina School of Electrical and Information Engineering Jilin Engineering Normal UniversityChangchunChina College of Information Science and Engineering Northeastern UniversityShenyangChina Department of Electrical and Computer Engineering Brigham Young UniversityProvoUtahUSA

In recent years,intelligent robots are extensively applied in the field of the industry and intelligent rehabilitation,wherein the human-robot interaction(HRI)control strategy is a momentous part that needs to be ***,the efficacy and robustness of the HRI control algorithm in the presence of unknown external disturbances deserve to be *** deal with these urgent issues,in this study,artificial systems,computational experiments and a parallel execution intelligent control framework are constructed for the HRI *** upper limb-robotic exoskeleton system is re-modelled as an artificial *** on surface electromyogram-based subject's active motion intention in the practical system,a non-convex function activated anti-disturbance zeroing neurodynamic(NC-ADZND)controller is devised in the artificial system for parallel interaction and HRI control with the practical ***,the linear activation function-based zeroing neurodynamic(LAF-ZND)controller and proportionalderivative(posterior deltoid(PD))controller are presented and *** results substantiate the global convergence and robustness of the proposed controller in the presence of different external *** addition,the simulation results verify that the NC-ADZND controller is better than the LAF-ZND and the PD controllers in respect of convergence order and anti-disturbance characteristics.

关键词： neural network pattern recognition robotics signal processing

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Icephobic materials and strategies:From bio-inspirations to smart systems

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Droplet 2024年第3期3卷 1-26页

作者： Xinlin Li Yan Liu Zhichun zhang Yanju Liu Jinsong Leng Centre for Composite Materials and Structures School of AstronauticsHarbin Institute of TechnologyHarbinChina Key Laboratory of Bionic Engineering(Ministry of Education) College of Biological and Agricultural EngineeringJilin UniversityChangchunChina Institute of Structured and Architected Materials Liaoning Academy of MaterialsShenyangChina Department of Astronautical Science and Mechanics Harbin Institute of TechnologyHarbinChina

Unwanted ice formations may cause severe functional degradations of facilities and also have a negative impact on their *** and removing ice accumula-tion is always a hot topic in the industrial and technological *** functional surfaces have been greatly studied for several decades and have proved to be excel-lent candidates for passive anti-/deicing ***,the drawbacks limit their potential industrial uses under harsh conditions,like low temperatures and high *** researches on bionic surfaces are focused on a certain function of nat-ural creatures and their underlined fundamental theories are revealed by taking the interface as the ***,living organisms,either plants or animals,are often sensitive and responsive to their surroundings,avoiding risks and even self-repairing upon *** this prospect,a novel view of the bionic icephobic materials has been proposed in the present review,which is expected to be studied and designed by taking the biological species as a *** two representative icephobic mate-rials,the anti-/deicing theories of superhydrophobic and slippery surfaces are first ***,the recent progress of smart icephobic strategies is summarized from interfaces to *** aim to provide new bionic insights on designing future icephobic strategies.

关键词： removing smart summarized

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Theory and practice of hull dynamic deformation law and heading angle transfer error correction

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Journal of Ocean Engineering and Science 2024年第2期9卷 191-198页

作者： Yepin Qu Jianqiang Liu Yuhai Lyu Chaoran zhang Tao Li Naval Research Institute Shanghai 200436PR China

In order to meet the demand of high-precision heading angle transmission in the transfer alignment of inertial navigation system on moving base,the analytical function relationship between the hull deforma-tion and the turning angular velocity and angular acceleration was derived by using the classical beam theory based on the analysis of the equivalent load exerted by the hydrodynamic force and inertia force on the hull structure during the turning process under the combined action of the steering rudder mo-ment and wave *** objective law between the angular motion and the azimuth deformation angle of the hull under the combined action of maneuvering and sea waves was ***,the correc-tion coefficients were determined according to the left turn and right turn motions of the hull by using the measured data of the ship in the sea trial during the S-shape maneuvering navigation,and the az-imuth deformation angle correction was *** results indicated that the application of the Qu’s bending deformation correction formula could greatly reduce the influence of the hull flexural deforma-tion on the heading angle accuracy,meet the needs of high-precision heading angle transmission,and fully verify the correctness of the hull azimuth deformation law and the heading angle transmission er-ror correction *** theory and method provided technical support for establishing high-precision distributed digital reference in the field of transfer alignment of inertial navigation on moving base and the application of heading angle transfer of other shipborne equipment.

关键词： Hull deformation Hull girder Heading angle Alignment on moving Base Transfer alignment Error correction

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A Novel High-Efficiency Transaction Verification Scheme for Blockchain Systems

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Computer Modeling in Engineering & Sciences 2024年第5期139卷 1613-1633页

作者： Jingyu zhang Pian Zhou Jin Wang Osama Alfarraj Saurabh Singh Min Zhu School of Computer&Communication Engineering Changsha University of Science&TechnologyChangsha410015China Science and Technology on Information Systems Engineering Laboratory School of Systems EngineeringNational University of Defense TechnologyChangsha410073China Computer Science Department King Saud UniversityRiyadh11437Saudi Arabia Department of Artificial Intelligence and Big Data Woosong UniversityDaejeon34606South Korea College of Information Science and Technology Zhejiang Shuren UniversityHangzhou310015China

Blockchain can realize the reliable storage of a large amount of data that is chronologically related and verifiable within the *** technology has been widely used and has developed rapidly in big data systems across various *** increasing number of users are participating in application systems that use blockchain as their underlying *** the number of transactions and the capital involved in blockchain grow,ensuring information security becomes *** the verification of transactional information security and privacy has emerged as a critical ***-based verification methods can effectively eliminate the need for centralized third-party ***,the efficiency of nodes in storing and verifying blockchain data faces unprecedented *** address this issue,this paper introduces an efficient verification scheme for transaction ***,it presents a node evaluation module to estimate the activity level of user nodes participating in transactions,accompanied by a probabilistic analysis for all ***,this paper optimizes the conventional transaction organization form,introduces a heterogeneous Merkle tree storage structure,and designs algorithms for constructing these heterogeneous *** analyses and simulation experiments conclusively demonstrate the superior performance of this *** verifying the same number of transactions,the heterogeneous Merkle tree transmits less data and is more efficient than traditional *** findings indicate that the heterogeneous Merkle tree structure is suitable for various blockchain applications,including the Internet of *** scheme can markedly enhance the efficiency of information verification and bolster the security of distributed systems.

关键词： Blockchain architecture transaction verification information security heterogeneous Merkle tree distributed systems

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