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Material basis and sleep-improving mechanisms of Lily-Ziziphi Spinosae Semen decoction:systematic evidence from LC-MS,network pharmacology and animal experiments
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作者 Fan Jia Hui Zheng +5 位作者 Yao Xu Jiani Jiang Yuhang Wu Jianxin Liu Kai He Yong Yang 《Food Science and Human Wellness》 2025年第9期3735-3752,共18页
Lily-Ziziphi Spinosae Semen decoction(LZ)is known for its blood nourishing,mind calming,body sedation,and sleep promoting effects in traditional Chinese medicine.However,its material basis and underlying mechanisms ha... Lily-Ziziphi Spinosae Semen decoction(LZ)is known for its blood nourishing,mind calming,body sedation,and sleep promoting effects in traditional Chinese medicine.However,its material basis and underlying mechanisms have not yet been clearly defined.This study applies liquid chromatography-mass spectrometry,network pharmacology,and animal studies to reveal the material basis and sleep-improving mechanisms of LZ.The mixed decoction(LZ-ME)and single decoction(LZ-SE)were prepared to study their chemical components.Network pharmacology was used to predict the sleep-improving targets and signaling pathways of LZ.ICR mice were intragastrically administered saline(NC),melatonin(positive control group,0.50 mg/kg),low(12.90 g/kg),medium(25.70 g/kg),and high(38.60 g/kg)dose of LZ-ME and LZ-SH for 30 days.The results showed that LZ-ME could prolong the sleep duration and shorten the sleep latency in sodium barbiturate induced mice model.The results of chemical composition showed that total polysaccharides,total flavonoids,total saponins,and total alkaloids in LZ-ME were significantly higher than those in LZ-SE(177.20%,82.34%,30.58%,and 11.66%,respectively).A total of 58 chemical components were identified by ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-QTOF-MS),and 8 representative difference components of LZ-ME and LZ-SE were found.LZ-ME significantly increased tumor necrosis factor-α(TNF-α)in mice serum and neurotransmitterγ-aminobutyric acid(GABA)levels in mice hippocampus,decreased dopamine(DA)and glutamate(Glu)levels in mice hippocampus(P<0.05).Furthermore,LZ-ME up-regulated the abundance of the beneficial bacteria Lactobacillus and Eubacterium_R,down-regulated the abundance of the harmful bacteria Lachnospiraceae etc.The polysaccharides,flavonoids(spinosin and 6‴-feruloylspinosin)and saponins(jujuboside A and jujuboside B)were the main material bases for the sleep-promoting effects of LZ.These compounds may directly enhance levels of the GABA,reduced levels of Glu and DA and improve TNF-αlevels.And they also may indirectly regulate GABA levels by influencing the relative abundance of Lactobacillus and Eubacterium. 展开更多
关键词 Lily-Ziziphi Spinosae Semen decoction INSOMNIA Material basis Mechanism of action
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Systems Theory-Driven Framework for AI Integration into the Holistic Material Basis Research of Traditional Chinese Medicine 被引量:3
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作者 Jingqi Zeng Xiaobin Jia 《Engineering》 SCIE EI CAS CSCD 2024年第9期28-50,共23页
This paper introduces a systems theory-driven framework to integration artificial intelligence(AI)into traditional Chinese medicine(TCM)research,enhancing the understanding of TCM’s holistic material basis while adhe... This paper introduces a systems theory-driven framework to integration artificial intelligence(AI)into traditional Chinese medicine(TCM)research,enhancing the understanding of TCM’s holistic material basis while adhering to evidence-based principles.Utilizing the System Function Decoding Model(SFDM),the research progresses through define,quantify,infer,and validate phases to systematically explore TCM’s material basis.It employs a dual analytical approach that combines top-down,systems theory-guided perspectives with bottom-up,elements-structure-function methodologies,provides comprehensive insights into TCM’s holistic material basis.Moreover,the research examines AI’s role in quantitative assessment and predictive analysis of TCM’s material components,proposing two specific AIdriven technical applications.This interdisciplinary effort underscores AI’s potential to enhance our understanding of TCM’s holistic material basis and establishes a foundation for future research at the intersection of traditional wisdom and modern technology. 展开更多
关键词 Artificial intelligence systems theory Traditional Chinese medicine Material basis BOTTOM-UP
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Research progress on therapeutic material basis and mechanism of Scutellaria barbata–Lobelia chinensis herb pair in the treatment of lung cancer
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作者 Xiao-Yun Liang Ke-Jin Xu +3 位作者 Jia Liu Wei-Dong Li Hai-Bing Hua Chen-Xu Wei 《Integrative Medicine Discovery》 2025年第21期1-12,共12页
Lung cancer remains a leading cause of cancer-related mortality globally,with conventional therapies(chemotherapy,targeted agents)limited by severe toxicities and poor durability.Traditional Chinese medicine(TCMs)herb... Lung cancer remains a leading cause of cancer-related mortality globally,with conventional therapies(chemotherapy,targeted agents)limited by severe toxicities and poor durability.Traditional Chinese medicine(TCMs)herb pairs,particularly Scutellaria barbata–Lobelia chinensis(SL),have emerged as promising alternatives for their multitarget anti-lung cancer activity,but their material basis and mechanisms need systematic clarification.In TCM practice,SL herb pair exerts“heat-clearing and toxin-resolving”effects,aligning with the therapeutic principle of“resolving toxin to suppress tumor”for lung cancer.Phytochemical and pharmacological studies confirm its key active components,including flavonoids(baicalein,luteolin,quercetin),alkaloids,and polysaccharides.These components synergistically act through core signaling pathways:inhibiting angiogenesis via HIF-1α/VEGF axis;inducing apoptosis/autophagy through PI3K/AKT/mTOR and SIRT1/AMPK pathways;suppressing epithelial-mesenchymal transition(EMT)by targeting TGF-β/Smad and Wnt/β-catenin pathways;and regulating immune microenvironment via NLRP3 inflammasome and Th1/Th2 balance.This review systematically summarizes the multi-component(flavonoids,alkaloids)and multi-pathway mechanisms of SL herb pair,validating the scientific connotation of TCM’s“multi-target therapy”paradigm.It provides a theoretical basis for clinical application of SL herb pair and inspires the development of innovative lung cancer therapies(e.g.,component-based nano-drugs),bridging TCM practice with modern pharmacology. 展开更多
关键词 Scutellaria barbata Lobelia chinensis herbal pair lung cancer therapeutic material basis action mechanism
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Historical Basis,Theoretical Implication,and Practical Significance:A Three-Dimensional Analysis of Marx’s Thoughts on Clean Government
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作者 Faying Ding Cong Liu +1 位作者 Qun Wang Gongxu Tan 《Journal of Contemporary Educational Research》 2025年第7期346-355,共10页
Marx scientifically summarized the experience and lessons of the Paris Commune,deeply exposed the root causes of bourgeois corruption,and emphasized the purity and advancement of the construction of proletarian politi... Marx scientifically summarized the experience and lessons of the Paris Commune,deeply exposed the root causes of bourgeois corruption,and emphasized the purity and advancement of the construction of proletarian political parties and political power.The dictatorship of the proletariat puts forward the ideas of cheap government that eradicate corruption,realizes that the people are the masters of the country,implements democratic supervision of elections,simplifies the construction of institutions,lowers governance costs,and achieves higher efficiency.A deep understanding of the theoretical characteristics of Marx’s thoughts on integrity,democracy,and honor,and a profound clarification of the practical significance of Marx’s ideology on clean governance,combined with practical practice,will help promote the construction of a new system of anti-corruption and incorruption in our country,and will benefit our contemporary services.The construction of a type-oriented government system is conducive to deepening the construction of China’s national legal system. 展开更多
关键词 Marx Thoughts on clean government Historical basis Theoretical implications SIGNIFICANCE
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Applying the Radial Basis Function Method to Estimate the Distribution of Total Suspended Matter Concentration in Hangzhou Bay
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作者 CHEN Wanqian GAO Jinpeng +5 位作者 XU Minjie LIU Zezheng LI Bingtian LV Jing LI Shujiang SUN Junchuan 《Journal of Ocean University of China》 2025年第3期557-568,共12页
Ocean remote sensing satellites provide observations with high spatiotemporal resolution.However,the influence of clouds,fog,and haze frequently leads to significant data gaps.Accurate and effective estimation of thes... Ocean remote sensing satellites provide observations with high spatiotemporal resolution.However,the influence of clouds,fog,and haze frequently leads to significant data gaps.Accurate and effective estimation of these missing data is highly valuable for engineering and scientific research.In this study,the radial basis function(RBF)method is used to estimate the spatial distribution of total suspended matter(TSM)concentration in Hangzhou Bay using remote sensing data with severe data gaps.The estimation precision is validated by comparing the results with those of other commonly used interpolation methods,such as the Kriging method and the basic spline(B-spline)method.In addition,the applicability of the RBF method is explored.Results show that the estimation of the RBF method is significantly close to the observation in Hangzhou Bay.The average of the mean absolute error,mean relative error,and root mean square error in all the experiments is evidently smaller than those of the Kriging and B-spline interpolations,indicating that the proposed method is more appropriate for estimating the spatial distribution of the TSM in Hangzhou Bay.Finally,the TSM distribution in the blank observational area is predicted.This study can provide some reference values for handling watercolor remote sensing data. 展开更多
关键词 ocean remote sensing satellite total suspended matter concentration INTERPOLATION radial basis function Kriging method basic spline method
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Research Progress of Mongolian Medicine and Effective Material Basis in the Treatment of Rheumatoid Arthritis
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作者 Wuriliga Cuilan BAI 《Medicinal Plant》 2025年第4期81-84,共4页
This paper reviews and summarizes the material basis that contribute to the efficacy of Mongolian medicine,as well as the advancements in research concerning both single drugs and compound prescriptions in Mongolian m... This paper reviews and summarizes the material basis that contribute to the efficacy of Mongolian medicine,as well as the advancements in research concerning both single drugs and compound prescriptions in Mongolian medicine for the treatment of rheumatoid arthritis(RA).The objective is to provide a reference for further in-depth research and the clinical application of Mongolian medicine in the management of RA,while also offering new insights for the development of more effective therapeutic agents and methods for treating this condition. 展开更多
关键词 Mongolian medicine Material basis Single drug Compound prescription Rheumatoid arthritis(RA)
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A Basis Function Generation Based Digital Predistortion Concurrent Neural Network Model for RF Power Amplifiers
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作者 SHAO Jianfeng HONG Xi +2 位作者 WANG Wenjie LIN Zeyu LI Yunhua 《ZTE Communications》 2025年第1期71-77,共7页
This paper proposes a concurrent neural network model to mitigate non-linear distortion in power amplifiers using a basis function generation approach.The model is designed using polynomial expansion and comprises a f... This paper proposes a concurrent neural network model to mitigate non-linear distortion in power amplifiers using a basis function generation approach.The model is designed using polynomial expansion and comprises a feedforward neural network(FNN)and a convolutional neural network(CNN).The proposed model takes the basic elements that form the bases as input,defined by the generalized memory polynomial(GMP)and dynamic deviation reduction(DDR)models.The FNN generates the basis function and its output represents the basis values,while the CNN generates weights for the corresponding bases.Through the concurrent training of FNN and CNN,the hidden layer coefficients are updated,and the complex multiplication of their outputs yields the trained in-phase/quadrature(I/Q)signals.The proposed model was trained and tested using 300 MHz and 400 MHz broadband data in an orthogonal frequency division multiplexing(OFDM)communication system.The results show that the model achieves an adjacent channel power ratio(ACPR)of less than-48 d B within a 100 MHz integral bandwidth for both the training and test datasets. 展开更多
关键词 basis function generation digital predistortion generalized memory polynomial dynamic deviation reduction neural network
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Transient analysis of functionally graded curved shells using a nonuniform shape parameter integrated radial basis function approach
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作者 Vay Siu Lo Andrzej Katunin Thien Tich Truong 《Theoretical & Applied Mechanics Letters》 2025年第3期296-308,共13页
In this study,an improved integrated radial basis function with nonuniform shape parameter is introduced.The proposed shape parameter varies in each support domain and is defined byθ=1/d_(max),where d_(max)is the max... In this study,an improved integrated radial basis function with nonuniform shape parameter is introduced.The proposed shape parameter varies in each support domain and is defined byθ=1/d_(max),where d_(max)is the maximum distance of any pair of nodes in the support domain.The proposed method is verified and shows good performance.The results are stable and accurate with any number of nodes and an arbitrary nodal distribution.Notably,the support domain should be large enough to obtain accurate results.This method is then applied for transient analysis of curved shell structures made from functionally graded materials with complex geometries.Through several numerical examples,the accuracy of the proposed approach is demonstrated and discussed.Additionally,the influence of various factors on the dynamic behavior of the structures,including the power-law index,different materials,loading conditions,and geometrical parameters of the structures,was investigated. 展开更多
关键词 Integrated radial basis function Shape parameter Functionally graded material Curved shell Transient analysis
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Optimizing basis wave functions in the generator coordinate method for microscopic cluster models (Ⅰ)
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作者 Yi‑Fan Liu Bo Zhou Yu‑Gang Ma 《Nuclear Science and Techniques》 2025年第10期183-191,共9页
We employed random distributions and gradient descent methods for the Generator Coordinate Method(GCM)to identify effective basis wave functions,taking halo nuclei ^(6)He and ^(6)Li as examples.By comparing the ground... We employed random distributions and gradient descent methods for the Generator Coordinate Method(GCM)to identify effective basis wave functions,taking halo nuclei ^(6)He and ^(6)Li as examples.By comparing the ground state(0^(+))energy of ^(6)He and the excited state(0^(+))energy of 6 Li calculated with various random distributions and manually selected generation coordinates,we found that the heavy tail characteristic of the logistic distribution better describes the features of the halo nuclei.Subsequently,the Adam algorithm from machine learning was applied to optimize the basis wave functions,indicating that a limited number of basis wave functions can approximate the converged values.These results offer some empirical insights for selecting basis wave functions and contribute to the broader application of machine learning methods in predicting effective basis wave functions. 展开更多
关键词 Generator Coordinate Method Effective basis wave functions Nuclear cluster model Machine learning Halo nuclei
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Radial Basis Function Neural Network Adaptive Controller for Wearable Upper-Limb Exoskeleton with Disturbance Observer
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作者 Mohammad Soleimani Amiri Sahbi Boubaker +1 位作者 Rizauddin Ramli Souad Kamel 《Computer Modeling in Engineering & Sciences》 2025年第9期3113-3133,共21页
Disability is defined as a condition that makes it difficult for a person to perform certain vital activities.In recent years,the integration of the concepts of intelligence in solving various problems for disabled pe... Disability is defined as a condition that makes it difficult for a person to perform certain vital activities.In recent years,the integration of the concepts of intelligence in solving various problems for disabled persons has become more frequent.However,controlling an exoskeleton for rehabilitation presents challenges due to their nonlinear characteristics and external disturbances caused by the structure itself or the patient wearing the exoskeleton.To remedy these problems,this paper presents a novel adaptive control strategy for upper-limb rehabilitation exoskeletons,addressing the challenges of nonlinear dynamics and external disturbances.The proposed controller integrated a Radial Basis Function Neural Network(RBFNN)with a disturbance observer and employed a high-dimensional integral Lyapunov function to guarantee system stability and trajectory tracking performance.In the control system,the role of the RBFNN was to estimate uncertain signals in the dynamic model,while the disturbance observer tackled external disturbances during trajectory tracking.Artificially created scenarios for Human-Robot interactive experiments and periodically repeated reference trajectory experiments validated the controller’s performance,demonstrating efficient tracking.The proposed controller is found to achieve superior tracking accuracy with Root-Mean-Squared(RMS)errors of 0.022-0.026 rad for all joints,outperforming conventional Proportional-Integral-Derivative(PID)by 73%and Neural-Fuzzy Adaptive Control(NFAC)by 389.47%lower error.These results suggested that the RBFNN adaptive controller,coupled with disturbance compensation,could serve as an effective rehabilitation tool for upper-limb exoskeletons.These results demonstrate the superiority of the proposed method in enhancing rehabilitation accuracy and robustness,offering a promising solution for the control of upper-limb assistive devices.Based on the obtained results and due to their high robustness,the proposed control schemes can be extended to other motor disabilities,including lower limb exoskeletons. 展开更多
关键词 Adaptive neural network controller disturbance observer upper-limb exoskeleton rehabilitation robotics Lyapunov stability radial basis function network
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Generalized Energy-Based Fragmentation DLPNO-CCSD(T)Approach at Complete Basis Set Limit and Its Application to Benzene Clusters
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作者 Yan Sun Benkun Hong +1 位作者 Wei Li Shuhua Li 《Chinese Journal of Chemical Physics》 2025年第3期347-355,I0061-I0105,I0109,共55页
Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc... Accurate description of noncova-lent interactions in large systems is challenging due to the require-ment of high-level electron corre-lation methods.The generalized energy-based fragmentation(GEBF)approach,in conjunc-tion with the domain-based local pair natural orbital(DLPNO)method,has been applied to assess the average binding energies(ABEs)of large benzene clus-ters,specifically(C6H6)13,at the coupled cluster singles and doubles with perturbative triples correction[CCSD(T)]level and the complete basis set(CBS)limit.Utilizing GEBF-DLPNO-CCSD(T)/CBS ABEs as benchmarks,various DFT functionals were evaluated.It was found that several functionals with empirical dispersion correction,including M06-2X-D3,B3LYP-D3(BJ),and PBE-D3(BJ),provide accurate descriptions of the ABEs for(C6H6)13 clusters.Additionally,the M06-2X-D3 functional was used to calculate the ABEs and relative stabili-ties of(C6H6)n clusters for n=11,12,13,14,and 15 revealing that the(C6H6)13 cluster ex-hibits the highest relative stability.These findings align with experimental evidence suggest-ing that n=13 is one of the magic numbers for benzene clusters(C6H6)n,with n≤30. 展开更多
关键词 Generalized energy-based fragmentation approach Coupled cluster Complete basis set limit Benzene cluster Dispersion interactions
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Crack Fault Diagnosis and Location Method for a Dual-Disk Hollow Shaft Rotor System Based on the Radial Basis Function Network and Pattern Recognition Neural Network 被引量:2
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作者 Yuhong Jin Lei Hou +1 位作者 Zhenyong Lu Yushu Chen 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2023年第2期180-197,共18页
The crack fault is one of the most common faults in the rotor system,and researchers have paid close attention to its fault diagnosis.However,most studies focus on discussing the dynamic response characteristics cause... The crack fault is one of the most common faults in the rotor system,and researchers have paid close attention to its fault diagnosis.However,most studies focus on discussing the dynamic response characteristics caused by the crack rather than estimating the crack depth and position based on the obtained vibration signals.In this paper,a novel crack fault diagnosis and location method for a dual-disk hollow shaft rotor system based on the Radial basis function(RBF)network and Pattern recognition neural network(PRNN)is presented.Firstly,a rotor system model with a breathing crack suitable for a short-thick hollow shaft rotor is established based on the finite element method,where the crack's periodic opening and closing pattern and different degrees of crack depth are considered.Then,the dynamic response is obtained by the harmonic balance method.By adjusting the crack parameters,the dynamic characteristics related to the crack depth and position are analyzed through the amplitude-frequency responses and waterfall plots.The analysis results show that the first critical speed,first subcritical speed,first critical speed amplitude,and super-harmonic resonance peak at the first subcritical speed can be utilized for the crack fault diagnosis.Based on this,the RBF network and PRNN are adopted to determine the depth and approximate location of the crack respectively by taking the above dynamic characteristics as input.Test results show that the proposed method has high fault diagnosis accuracy.This research proposes a crack detection method adequate for the hollow shaft rotor system,where the crack depth and position are both unknown. 展开更多
关键词 Hollow shaft rotor Breathing crack Radial basis function network Pattern recognition neural network Machine learning
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Deep learning-based time-varying channel estimation with basis expansion model for MIMO-OFDM system 被引量:2
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作者 HU Bo YANG Lihua +1 位作者 REN Lulu NIE Qian 《High Technology Letters》 EI CAS 2022年第3期288-294,共7页
For high-speed mobile MIMO-OFDM system,a low-complexity deep learning(DL) based timevarying channel estimation scheme is proposed.To reduce the number of estimated parameters,the basis expansion model(BEM) is employed... For high-speed mobile MIMO-OFDM system,a low-complexity deep learning(DL) based timevarying channel estimation scheme is proposed.To reduce the number of estimated parameters,the basis expansion model(BEM) is employed to model the time-varying channel,which converts the channel estimation into the estimation of the basis coefficient.Specifically,the initial basis coefficients are firstly used to train the neural network in an offline manner,and then the high-precision channel estimation can be obtained by small number of inputs.Moreover,the linear minimum mean square error(LMMSE) estimated channel is considered for the loss function in training phase,which makes the proposed method more practical.Simulation results show that the proposed method has a better performance and lower computational complexity compared with the available schemes,and it is robust to the fast time-varying channel in the high-speed mobile scenarios. 展开更多
关键词 MIMO-OFDM high-speed mobile time-varying channel deep learning(DL) basis expansion model(BEM)
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Development of Trees Management System Using Radial Basis Function Neural Network for Rain Forecast 被引量:1
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作者 Hasnul Auzani Khairusy Syakirin Has-Yun Farah Aniza Mohd Nazri 《Computational Water, Energy, and Environmental Engineering》 2022年第1期1-10,共10页
Agriculture and farming are mainly dependent on weather especially in Malaysia as it received heavy rainfall throughout the years. An efficient crop or tree management system with a weather forecast needed for suitabl... Agriculture and farming are mainly dependent on weather especially in Malaysia as it received heavy rainfall throughout the years. An efficient crop or tree management system with a weather forecast needed for suitable planning of farming operation. Radial Basis Function Neural Network (RBFNN) algorithm was used in this study to predict rainfall and the main focus of this study is to analyze the factor that affect</span></span><span style="font-family:Verdana;"><span style="font-family:Verdana;"><span style="font-family:Verdana;">s</span></span></span><span style="font-family:Verdana;"><span style="font-family:Verdana;"><span style="font-family:Verdana;"> the performance of neural model. This study found that the model works better the more hidden nodes and the optimum learning rate is 0.01 with the RMSE 49% and the percentage accuracy is 57%. Besides that, it is found that the meteorology data also affect the model performance. Future research can be conducted to improve the rainfall forecast of this study and improv</span></span></span><span style="font-family:Verdana;"><span style="font-family:Verdana;"><span style="font-family:Verdana;">e</span></span></span><span style="font-family:Verdana;"><span style="font-family:Verdana;"><span style="font-family:Verdana;"> the tree management system. 展开更多
关键词 Tree Management Radial basis Function Rain Prediction Artificial Neural Network
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CMAC BASED NONLINEAR PROCESS CONTROL SYSTEMS,PART I : CMAC WITH GENERAL BASIS FUNCTIONS FOR MODELLING
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作者 段培永 李成东 邵惠鹤 《Journal of Shanghai Jiaotong university(Science)》 EI 1998年第1期43-46,共4页
CMACBASEDNONLINEARPROCESSCONTROLSYSTEMS,PARTI:CMACWITHGENERALBASISFUNCTIONSFORMOD-ELLINGDuanPeiyong(段培永)LiCh... CMACBASEDNONLINEARPROCESSCONTROLSYSTEMS,PARTI:CMACWITHGENERALBASISFUNCTIONSFORMOD-ELLINGDuanPeiyong(段培永)LiChengdong(李成东)ShaoH... 展开更多
关键词 CMAC NONLINEAR PROCESS MODELLING FUNCTIONS basis BASED
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The construction of general basis functions in reweighting ensemble dynamics simulations: Reproduce equilibrium distribution in complex systems from multiple short simulation trajectories
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作者 张传彪 黎明 周昕 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第12期65-73,共9页
Ensemble simulations, which use multiple short independent trajectories from dispersive initial conformations, rather than a single long trajectory as used in traditional simulations, are expected to sample complex sy... Ensemble simulations, which use multiple short independent trajectories from dispersive initial conformations, rather than a single long trajectory as used in traditional simulations, are expected to sample complex systems such as biomolecules much more efficiently. The re-weighted ensemble dynamics(RED) is designed to combine these short trajectories to reconstruct the global equilibrium distribution. In the RED, a number of conformational functions, named as basis functions,are applied to relate these trajectories to each other, then a detailed-balance-based linear equation is built, whose solution provides the weights of these trajectories in equilibrium distribution. Thus, the sufficient and efficient selection of basis functions is critical to the practical application of RED. Here, we review and present a few possible ways to generally construct basis functions for applying the RED in complex molecular systems. Especially, for systems with less priori knowledge, we could generally use the root mean squared deviation(RMSD) among conformations to split the whole conformational space into a set of cells, then use the RMSD-based-cell functions as basis functions. We demonstrate the application of the RED in typical systems, including a two-dimensional toy model, the lattice Potts model, and a short peptide system. The results indicate that the RED with the constructions of basis functions not only more efficiently sample the complex systems, but also provide a general way to understand the metastable structure of conformational space. 展开更多
关键词 ensemble simulation equilibrium distribution reweighting basis functions PEPTIDE
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Green Function and Perturbation Method for Dissipative Systems Based on Biorthogonal Basis
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作者 ZHANG Li GAO Yi-Bo WANG Cheng 《Communications in Theoretical Physics》 SCIE CAS CSCD 2009年第6期1017-1022,共6页
Based on the approach of biorthogonal basis, we carry out the quasinormal modes (QNMs) expansions for a class of open systems described by the wave equation with outgoing wave boundary conditions. For such a non-Her... Based on the approach of biorthogonal basis, we carry out the quasinormal modes (QNMs) expansions for a class of open systems described by the wave equation with outgoing wave boundary conditions. For such a non-Hermitian system, the eigenfunction perturbation expansions and Green function method, which are based on the orthogonal eigenvectors of the Hermitian Hamiltonian for the dosed quantum system, can be generalized in terms of the biorthogonal basis, the two sets of eigenfunctions of H and its adjointness H . The time-independent perturbation theory for the complex frequencies can be also developed. 展开更多
关键词 biorthogonal basis open system quasinormal mode
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Nonlinear Time-Varying Systems Identification Using Basis Sequence Expansions Combined with Neural Networks
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作者 顾成奎 王正欧 孙雅明 《Transactions of Tianjin University》 EI CAS 2003年第1期71-74,共4页
A new method for identifying nonlinear time varying systems with unknown structure is presented. The method extends the application area of basis sequence identification. The essential idea is to utilize the learning ... A new method for identifying nonlinear time varying systems with unknown structure is presented. The method extends the application area of basis sequence identification. The essential idea is to utilize the learning and nonlinear approximating ability of neural networks to model the non linearity of the system, characterize time varying dynamics of the system by the time varying parametric vector of the network, then the parametric vector of the network is approximated by a weighted sum of known basis sequences. Because of black box modeling ability of neural networks, the presented method can identify nonlinear time varying systems with unknown structure. In order to improve the real time capability of the algorithm, the neural network is trained by a simple fast learning algorithm based on local least squares presented by the authors. The effectiveness and the performance of the method are demonstrated by some simulation results. 展开更多
关键词 nonlinear time varying systems IDENTIFICATION basis sequence expansions neural networks
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System pharmacology-based dissection of the potential effective material basis and mechanism of Xiaoxianxiong decoction for type 2 diabetes mellitus
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作者 Jiao Kong Chuan-Xin Liu +7 位作者 Jia-Li Zhou You-Zhi Li Xi-Xi Cui Tao He Bao-Nan Ma Shuang Han Yi-Ning Zhang Jian-Mei Huang 《Traditional Medicine Research》 2021年第4期104-124,共21页
Background:Xiaoxianxiong decoction is a classic formula in traditional Chinese medicine used to treat type 2 diabetes mellitus and proven to be effective.But the material basis and underlying mechanisms remain unclear... Background:Xiaoxianxiong decoction is a classic formula in traditional Chinese medicine used to treat type 2 diabetes mellitus and proven to be effective.But the material basis and underlying mechanisms remain unclear.The aim of the present study was to elucidate the potential effective material basis of Xiaoxianxiong decoction and molecular mechanism treating type 2 diabetes mellitus.Methods:The absorbed bioactive components were identified based on serum pharmacochemistry.Network analysis were performed to obtain effect targets for docking verification with the absorbed prototypes to determine the potential effective material basis.On the above basis,network pharmacology was conducted to explore the molecular mechanism.Results:76 compounds were identified of Xiaoxianxiong decoction and 61 absorbed bioactive compounds were investigated.Serine/threonine kinase 1 and ALB were key targets acquired by network analysis for molecular docking.Subsequently,5 compounds were considered as the potential effective material basis,namely berberine,berberrubine,lariciresinol and gingerenone A,jatrorrhizine.Further,the mechanism mainly lies in the insulin signaling pathway,HIF-1 signaling pathway,PI3K-Akt signaling pathway,FoxO signaling pathway,AGE-RAGE signaling pathway in diabetic complications,phospholipase D signaling pathway to regulate blood glucose levels on target tissues as well as organs and exhibit anti-inflammatory,promote cell differentiation and cell growth,maintain oxygen homeostasis and affect the enzymes along with key metabolites.Conclusion:This integrated research strategy to investigate the treatment of Xiaoxianxiong decoction on type 2 diabetes mellitus provides valuable insights for further study and clinical practice of Xiaoxianxiong decoction. 展开更多
关键词 Xiaoxianxiong decoction Type 2 diabetes mellitus Material basis Molecular mechanism Berberrubine Serine/threonine kinase 1
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On the Accuracy of the Complete Basis Set Extrapolation for Anionic Systems: A Case Study of the Electron Affinity of Methane
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作者 Alejandro Ramírez-Solís 《Computational Chemistry》 2014年第2期31-41,共11页
Recent experimental evidence suggests again the existence of the metastable methane anion in plasma swarms. In order to test the reliability of the complete basis set (CBS) extrapolation scheme with augmented correlat... Recent experimental evidence suggests again the existence of the metastable methane anion in plasma swarms. In order to test the reliability of the complete basis set (CBS) extrapolation scheme with augmented correlation-consistent basis sets for anionic molecules, we study the evolution of the electron affinity of methane with benchmark ab initio calculations with aug-cc basis sets up to aug-cc-pV6Z + diffuse. Geometry optimizations and vibrational analysis were done at the MP2 level. The electron affinity (EA) was calculated at the MP2 and CCSD(T) levels with and without frozen core and including the extrapolations to the CBS limit. Using the aug-cc-pVnZ basis sets it is found that two non-decreasing CCSD(T) CBS limits exist for the EA (0.29 and 0.53 eV) obtained with the n = 3, 4, 5 and n = 4, 5, 6 series, respectively. A new scheme is proposed which can be generalized for very accurate quantum chemical description of molecular anions: the standard aug-cc-pVnZ basis sets can be supplemented with extra-diffuse orbitals using a simple even-tempered scheme. This yields a reliable CBS extrapolation method to develop a (discrete approximation of a) continuum anionic state near ionization, viz., one that closely matches the energy of the corresponding neutral state. These results show that CH4 has no stable anions of 2A1 symmetry, implying that plasma swarms with anionic methane consist of metastable rather than stable methane anions. 展开更多
关键词 METHANE Electron AFFINITY ANION CORRELATED Calculations Complete basis Set LIMIT
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