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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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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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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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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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Material basis and pharmacodynamic mechanism of YangshenDingzhi granules in the intervention of viral pneumonia:Based on serum pharmacochemistry and network pharmacology
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作者 Huirong Xu Meiyue Dong +5 位作者 Ruikun Du Chengcheng Zhang Zinuo Chen Guangyu Tian Qinghua Cui Kejian Li 《Animal Models and Experimental Medicine》 CAS CSCD 2024年第3期259-274,共16页
Background:YangshenDingzhi granules(YSDZ)are clinically effective in preventing and treating COVID-19.The present study elucidates the underlying mechanism of YSDZ intervention in viral pneumonia by employing serum ph... Background:YangshenDingzhi granules(YSDZ)are clinically effective in preventing and treating COVID-19.The present study elucidates the underlying mechanism of YSDZ intervention in viral pneumonia by employing serum pharmacochemistry and network pharmacology.Methods:The chemical constituents of YSDZ in the blood were examined using ultraperformance liquid chromatography-quadrupole/orbitrap high-resolution mass spectrometry(UPLC-Q-Exactive Orbitrap MS).Potential protein targets were obtained from the SwissTargetPrediction database,and the target genes associated with viral pneumonia were identified using GeneCards,DisGeNET,and Online Mendelian Inheritance in Man(OMIM)databases.The intersection of blood component-related targets and disease-related targets was determined using Venny 2.1.Protein-protein interaction networks were constructed using the STRING database.The Metascape database was employed to perform enrichment analyses of Gene Ontology(GO)functions and Kyoto Encyclopedia of Genes and Genomes(KEGG)signaling pathways for the targets,while the Cytoscape 3.9.1 software was utilized to construct drug-component-disease-target-pathway networks.Further,in vitro and in vivo experiments were performed to establish the therapeutic effectiveness of YSDZ against viral pneumonia.Results:Fifteen compounds and 124 targets linked to viral pneumonia were detected in serum.Among these,MAPK1,MAPK3,AKT1,EGFR,and TNF play significant roles.In vitro tests revealed that the medicated serum suppressed the replication of H1N1,RSV,and SARS-CoV-2 replicon.Further,in vivo testing analysis shows that YSDZ decreases the viral load in the lungs of mice infected with RSV and H1N1.Conclusion:The chemical constituents of YSDZ in the blood may elicit therapeutic effects against viral pneumonia by targeting multiple proteins and pathways. 展开更多
关键词 network pharmacology pharmacodynamical material basis serum pharmacochemistry viral pneumonia YangshenDingzhi granules
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An Efficient Local Radial Basis Function Method for Image Segmentation Based on the Chan-Vese Model
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作者 Shupeng Qiu Chujin Lin Wei Zhao 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第4期1119-1134,共16页
In this paper,we consider the Chan–Vese(C-V)model for image segmentation and obtain its numerical solution accurately and efficiently.For this purpose,we present a local radial basis function method based on a Gaussi... In this paper,we consider the Chan–Vese(C-V)model for image segmentation and obtain its numerical solution accurately and efficiently.For this purpose,we present a local radial basis function method based on a Gaussian kernel(GA-LRBF)for spatial discretization.Compared to the standard radial basis functionmethod,this approach consumes less CPU time and maintains good stability because it uses only a small subset of points in the whole computational domain.Additionally,since the Gaussian function has the property of dimensional separation,the GA-LRBF method is suitable for dealing with isotropic images.Finally,a numerical scheme that couples GA-LRBF with the fourth-order Runge–Kutta method is applied to the C-V model,and a comparison of some numerical results demonstrates that this scheme achieves much more reliable image segmentation. 展开更多
关键词 Image segmentation Chan–Vese model local radial basis functionmethod Gaussian kernel Runge–Kuttamethod
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Nonholonomic Theory of Principal-direction Orthonormal Basis for a Layer of Surfaces
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作者 LI Jiayang XIE Xilin 《复旦学报(自然科学版)》 CAS CSCD 北大核心 2024年第4期415-437,442,共24页
In order to carry out tensor analysis in a neighborhood of a reference surface,the principal-direction orthogonal basis accompanying with Lame s coefficients or general curvilinear coordinate systems are widely used.A... In order to carry out tensor analysis in a neighborhood of a reference surface,the principal-direction orthogonal basis accompanying with Lame s coefficients or general curvilinear coordinate systems are widely used.A novel kind of field theory termed as the nonholonomic theory of the Principal-Direction Orthonormal Basis(PDOB)is presented systematically in the present paper,in which the formal Christoffel symbols are related directly to the principal and geodesic curvatures with respect to the principal directions of the surface.Furthermore,a systematic and simple way to determine the curvatures of the surface are presented with some examples.It provides a way to recognize qualitatively the bending property of a surface. 展开更多
关键词 nonholonomic theory principal-direction orthonormal basis principal curvature geodesic curvature
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A data-adaptive network design for the regional gravity field modelling using spherical radial basis functions
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作者 Fang Zhang Huanling Liu Hanjiang Wen 《Geodesy and Geodynamics》 EI CSCD 2024年第6期627-634,共8页
A high-precision regional gravity field model is significant in various geodesy applications.In the field of modelling regional gravity fields,the spherical radial basis functions(SRBFs)approach has recently gained wi... A high-precision regional gravity field model is significant in various geodesy applications.In the field of modelling regional gravity fields,the spherical radial basis functions(SRBFs)approach has recently gained widespread attention,while the modelling precision is primarily influenced by the base function network.In this study,we propose a method for constructing a data-adaptive network of SRBFs using a modified Hierarchical Density-Based Spatial Clustering of Applications with Noise(HDBSCAN)algorithm,and the performance of the algorithm is verified by the observed gravity data in the Auvergne area.Furthermore,the turning point method is used to optimize the bandwidth of the basis function spectrum,which satisfies the demand for both high-precision gravity field and quasi-geoid modelling simultaneously.Numerical experimental results indicate that our algorithm has an accuracy of about 1.58 mGal in constructing the gravity field model and about 0.03 m in the regional quasi-geoid model.Compared to the existing methods,the number of SRBFs used for modelling has been reduced by 15.8%,and the time cost to determine the centre positions of SRBFs has been saved by 12.5%.Hence,the modified HDBSCAN algorithm presented here is a suitable design method for constructing the SRBF data adaptive network. 展开更多
关键词 Regional gravity field modelling Spherical radial basis functions Poisson kernel function HDBSCAN clustering algorithm
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All-electron basis sets for H to Xe specific for ZORA calculations:Applications in atoms and molecules
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作者 C.S.Gomes F.E.Jorge A.Canal Neto 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第8期238-246,共9页
A segmented basis set of quadruple zeta valence quality plus polarization functions(QZP)for H through Xe was developed to be used in conjunction with the ZORA Hamiltonian.This set was augmented with diffuse functions ... A segmented basis set of quadruple zeta valence quality plus polarization functions(QZP)for H through Xe was developed to be used in conjunction with the ZORA Hamiltonian.This set was augmented with diffuse functions to describe electrons farther away from the nuclei adequately.Using the ZORA-CCSD(T)/QZP-ZORA theoretical model,atomic ionization energies and bond lengths,harmonic vibrational frequencies,and atomization energies of some molecules were calculated.The addition of core-valence corrections has been shown to improve the agreement between theoretical and experimental results for molecular properties.For atomization energies,a similar observation emerges when considering spin-orbit couplings.With the augmented QZP-ZORA set,static mean dipole polarizabilities of a set of atoms were calculated and compared with previously published recommended and experimental values.Performance evaluations of the ZORA and Douglas–Kroll–Hess Hamiltonians were made for each property studied. 展开更多
关键词 QZP-ZORA and AQZP-ZORA basis sets elements from H to Xe CCSD(T)method atomic and molecular properties
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TCM-HIN2Vec:A strategy for uncovering biological basis of heart qi deficiency pattern based on network embedding and transcriptomic experiment
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作者 Lihong Diao Xinyi Fan +5 位作者 Jiang Yu Kai Huang Edouard C.Nice Chao Liu Dong Li Shuzhen Guo 《Journal of Traditional Chinese Medical Sciences》 CAS 2024年第3期264-274,共11页
Objective:To elucidate the biological basis of the heart qi deficiency(HQD)pattern,an in-depth understanding of which is essential for improving clinical herbal therapy.Methods: We predicted and characterized HQD patt... Objective:To elucidate the biological basis of the heart qi deficiency(HQD)pattern,an in-depth understanding of which is essential for improving clinical herbal therapy.Methods: We predicted and characterized HQD pattern genes using the new strategy,TCM-HIN2Vec,which involves heterogeneous network embedding and transcriptomic experiments.First,a heterogeneous network of traditional Chinese medicine(TCM)patterns was constructed using public databases.Next,we predicted HQD pattern genes using a heterogeneous network-embedding algorithm.We then analyzed the functional characteristics of HQD pattern genes using gene enrichment analysis and examined gene expression levels using RNA-seq.Finally,we identified TCM herbs that demonstrated enriched interactions with HQD pattern genes via herbal enrichment analysis.Results: Our TCM-HIN2Vec strategy revealed that candidate genes associated with HQD pattern were significantly enriched in energy metabolism,signal transduction pathways,and immune processes.Moreover,we found that these candidate genes were significantly differentially expressed in the transcriptional profile of mice model with heart failure with a qi deficiency pattern.Furthermore,herbal enrichment analysis identified TCM herbs that demonstrated enriched interactions with the top 10 candidate genes and could potentially serve as drug candidates for treating HQD.Conclusion: Our results suggested that TCM-HIN2Vec is capable of not only accurately identifying HQD pattern genes,but also deciphering the basis of HQD pattern.Furthermore our finding indicated that TCM-HIN2Vec may be further expanded to develop other patterns,leading to a new approach aimed at elucidating general TCM patterns and developing precision medicine. 展开更多
关键词 Qi deficiency pattern Heart failure Biological basis Network embedding Transcriptome
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Numerical Simulation of Dam-Break Flows Using Radial Basis Functions: Application to Urban Flood Inundation
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作者 Abdoulhafar Halassi Bacar Said Charriffaini Rawhoudine 《American Journal of Computational Mathematics》 2024年第3期318-332,共15页
Dam-break flows pose significant threats to urban areas due to their potential for causing rapid and extensive flooding. Traditional numerical methods for simulating these events struggle with complex urban landscapes... Dam-break flows pose significant threats to urban areas due to their potential for causing rapid and extensive flooding. Traditional numerical methods for simulating these events struggle with complex urban landscapes. This paper presents an alternative approach using Radial Basis Functions to simulate dam-break flows and their impact on urban flood inundation. The proposed method adapts a new strategy based on Particle Swarm Optimization for variable shape parameter selection on meshfree formulation to enhance the numerical stability and convergence of the simulation. The method’s accuracy and efficiency are demonstrated through numerical experiments, including well-known partial and circular dam-break problems and an idealized city with a single building, highlighting its potential as a valuable tool for urban flood risk management. 展开更多
关键词 Dam-Break Flows Numerical Simulation Shallow Water Equations Radial basis Functions Urban Flood Inundation
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A Radial Basis Function Method with Improved Accuracy for Fourth Order Boundary Value Problems
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作者 Scott A. Sarra Derek Musgrave +1 位作者 Marcus Stone Joseph I. Powell 《Journal of Applied Mathematics and Physics》 2024年第7期2559-2573,共15页
Accurately approximating higher order derivatives is an inherently difficult problem. It is shown that a random variable shape parameter strategy can improve the accuracy of approximating higher order derivatives with... Accurately approximating higher order derivatives is an inherently difficult problem. It is shown that a random variable shape parameter strategy can improve the accuracy of approximating higher order derivatives with Radial Basis Function methods. The method is used to solve fourth order boundary value problems. The use and location of ghost points are examined in order to enforce the extra boundary conditions that are necessary to make a fourth-order problem well posed. The use of ghost points versus solving an overdetermined linear system via least squares is studied. For a general fourth-order boundary value problem, the recommended approach is to either use one of two novel sets of ghost centers introduced here or else to use a least squares approach. When using either ghost centers or least squares, the random variable shape parameter strategy results in significantly better accuracy than when a constant shape parameter is used. 展开更多
关键词 Numerical Partial Differential Equations Boundary Value Problems Radial basis Function Methods Ghost Points Variable Shape Parameter Least Squares
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Analysis of radial basis function interpolation approach 被引量:4
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作者 邹友龙 胡法龙 +3 位作者 周灿灿 李潮流 李长喜 Keh-Jim Dunn 《Applied Geophysics》 SCIE CSCD 2013年第4期397-410,511,共15页
The radial basis function (RBF) interpolation approach proposed by Freedman is used to solve inverse problems encountered in well-logging and other petrophysical issues. The approach is to predict petrophysical prop... The radial basis function (RBF) interpolation approach proposed by Freedman is used to solve inverse problems encountered in well-logging and other petrophysical issues. The approach is to predict petrophysical properties in the laboratory on the basis of physical rock datasets, which include the formation factor, viscosity, permeability, and molecular composition. However, this approach does not consider the effect of spatial distribution of the calibration data on the interpolation result. This study proposes a new RBF interpolation approach based on the Freedman's RBF interpolation approach, by which the unit basis functions are uniformly populated in the space domain. The inverse results of the two approaches are comparatively analyzed by using our datasets. We determine that although the interpolation effects of the two approaches are equivalent, the new approach is more flexible and beneficial for reducing the number of basis functions when the database is large, resulting in simplification of the interpolation function expression. However, the predicted results of the central data are not sufficiently satisfied when the data clusters are far apart. 展开更多
关键词 Inverse problems radial basis function interpolation new approach
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