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Ecological Dynamics of a Logistic Population Model with Impulsive Age-selective Harvesting
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作者 DAI Xiangjun JIAO Jianjun 《应用数学》 北大核心 2026年第1期72-79,共8页
In this paper,we establish and study a single-species logistic model with impulsive age-selective harvesting.First,we prove the ultimate boundedness of the solutions of the system.Then,we obtain conditions for the asy... In this paper,we establish and study a single-species logistic model with impulsive age-selective harvesting.First,we prove the ultimate boundedness of the solutions of the system.Then,we obtain conditions for the asymptotic stability of the trivial solution and the positive periodic solution.Finally,numerical simulations are presented to validate our results.Our results show that age-selective harvesting is more conducive to sustainable population survival than non-age-selective harvesting. 展开更多
关键词 The logistic population model selective harvesting Asymptotic stability EXTINCTion
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Clinical efficacy and effects on hypothalamic-pituitary-adrenal axis function of proscar combined with selective serotonin reuptake inhibitor in post-stroke depression
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作者 Ming-Yang Xu Yi Lu +3 位作者 Guo-Mei Shi Jun Yao Chun-Qin Ding Ru-Juan Zhou 《World Journal of Psychiatry》 2026年第1期192-200,共9页
BACKGROUND Post-stroke depression(PSD)is associated with hypothalamic-pituitary-adrenal(HPA)axis dysfunction and neurotransmitter deficits.Selective serotonin reuptake inhibitors(SSRIs)are commonly used,but their effi... BACKGROUND Post-stroke depression(PSD)is associated with hypothalamic-pituitary-adrenal(HPA)axis dysfunction and neurotransmitter deficits.Selective serotonin reuptake inhibitors(SSRIs)are commonly used,but their efficacy is limited.This study investigated whether combining SSRIs with traditional Chinese medicine(TCM)Free San could enhance their therapeutic effects.AIM To evaluate the clinical efficacy and safety of combining SSRIs with Free San in treating PSD,and to assess its impact on HPA axis function.METHODS Ninety-two patients with PSD were enrolled and randomly divided into control groups(n=46)and study groups(n=46).The control group received the SSRI paroxetine alone,whereas the study group received paroxetine combined with Free San for 4 weeks.Hamilton Depression Scale and TCM syndrome scores were assessed before and after treatment.Serum serotonin,norepinephrine,cortisol,cor-ticotropin-releasing hormone,and adrenocorticotropic hormone were measured.The treatment responses and adverse reactions were recorded.RESULTS After treatment,the Hamilton Depression Scale and TCM syndrome scores were significantly lower in the study group than in the control group(P<0.05).Serum serotonin and norepinephrine levels were significantly higher in the study group than in the control group,whereas cortisol,corticotropin-releasing hormone,and adrenocorticotropic hormone levels were significantly lower(P<0.05).The total efficacy rates were 84.78%and 65.22%in the study and control groups,respectively(P<0.05).No significant differences in adverse reactions were observed between the two groups(P>0.05).CONCLUSION Combining SSRIs with Free San can enhance therapeutic efficacy,improve depressive symptoms,and regulate HPA axis function in patients with PSD with good safety and clinical application value. 展开更多
关键词 Free San selective serotonin reuptake inhibitor PAROXETINE Post-stroke depression Hypothalamic-pituitaryadrenal axis
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A Promising Strategy for Solvent-Regulated Selective Hydrogenation of 5-Hydroxymethylfurfural over Porous Carbon-Supported Ni-ZnO Nanoparticles
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作者 Rulu Huang Chao Liu +4 位作者 Kaili Zhang Jianchun Jiang Ziqi Tian Yongming Chai Kui Wang 《Nano-Micro Letters》 2026年第1期130-143,共14页
Developing biomass platform compounds into high value-added chemicals is a key step in renewable resource utilization.Herein,we report porous carbon-supported Ni-ZnO nanoparticles catalyst(Ni-ZnO/AC)synthesized via lo... Developing biomass platform compounds into high value-added chemicals is a key step in renewable resource utilization.Herein,we report porous carbon-supported Ni-ZnO nanoparticles catalyst(Ni-ZnO/AC)synthesized via low-temperature coprecipitation,exhibiting excellent performance for the selective hydrogenation of 5-hydroxymethylfurfural(HMF).A linear correlation is first observed between solvent polarity(E_(T)(30))and product selectivity within both polar aprotic and protic solvent classes,suggesting that solvent properties play a vital role in directing reaction pathways.Among these,1,4-dioxane(aprotic)favors the formation of 2,5-bis(hydroxymethyl)furan(BHMF)with 97.5%selectivity,while isopropanol(iPrOH,protic)promotes 2,5-dimethylfuran production with up to 99.5%selectivity.Mechanistic investigations further reveal that beyond polarity,proton-donating ability is critical in facilitating hydrodeoxygenation.iPrOH enables a hydrogen shuttle mechanism where protons assist in hydroxyl group removal,lowering the activation barrier.In contrast,1,4-dioxane,lacking hydrogen bond donors,stabilizes BHMF and hinders further conversion.Density functional theory calculations confirm a lower activation energy in iPrOH(0.60 eV)compared to 1,4-dioxane(1.07 eV).This work offers mechanistic insights and a practical strategy for solvent-mediated control of product selectivity in biomass hydrogenation,highlighting the decisive role of solvent-catalyst-substrate interactions. 展开更多
关键词 Porous carbon-supported Ni-ZnO nanoparticles catalyst selective hydrogenation 5-HYDROXYMETHYLFURFURAL SOLVENT Proton-donating ability
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Solid–State Hydrogen Storage Materials with Excellent Selective Hydrogen Adsorption in the Presence of Alkanes,Oxygen,and Carbon Dioxide by Atomic Layer Amorphous Al_(2)O_(3)Encapsulation
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作者 Fanqi Bu Zhenyu Wang +8 位作者 Ali Wajid Rui Zhai Ting Liu Yaohua Li Xin Ji Xin Liu Shujiang Ding Yonghong Cheng Jinying Zhang 《Nano-Micro Letters》 2026年第3期180-195,共16页
Metal hydrides with high hydrogen density provide promising hydrogen storage paths for hydrogen transportation.However,the requirement of highly pure H_(2)for re-hydrogenation limits its wide application.Here,amorphou... Metal hydrides with high hydrogen density provide promising hydrogen storage paths for hydrogen transportation.However,the requirement of highly pure H_(2)for re-hydrogenation limits its wide application.Here,amorphous Al_(2)O_(3)shells(10 nm)were deposited on the surface of highly active hydrogen storage material particles(MgH_(2)-ZrTi)by atomic layer deposition to obtain MgH_(2)-ZrTi@Al_(2)O_(3),which have been demonstrated to be air stable with selective adsorption of H_(2)under a hydrogen atmosphere with different impurities(CH_(4),O_(2),N_(2),and CO_(2)).About 4.79 wt%H_(2)was adsorbed by MgH_(2)-ZrTi@10nmAl_(2)O_(3)at 75℃under 10%CH_(4)+90%H_(2)atmosphere within 3 h with no kinetic or density decay after 5 cycles(~100%capacity retention).Furthermore,about 4 wt%of H_(2)was absorbed by MgH_(2)-ZrTi@10nmAl_(2)O_(3)under 0.1%O_(2)+0.4%N_(2)+99.5%H_(2)and 0.1%CO_(2)+0.4%N_(2)+99.5%H_(2)atmospheres at 100℃within 0.5 h,respectively,demonstrating the selective hydrogen absorption of MgH_(2)-ZrTi@10nmAl_(2)O_(3)in both oxygen-containing and carbon dioxide-containing atmospheres hydrogen atmosphere.The absorption and desorption curves of MgH_(2)-ZrTi@10nmAl_(2)O_(3)with and without absorption in pure hydrogen and then in 21%O_(2)+79%N_(2)for 1 h were found to overlap,further confirming the successful shielding effect of Al_(2)O_(3)shells against O_(2)and N_(2).The MgH_(2)-ZrTi@10nmAl_(2)O_(3)has been demonstrated to be air stable and have excellent selective hydrogen absorption performance under the atmosphere with CH_(4),O_(2),N_(2),and CO_(2). 展开更多
关键词 Hydrogen storage Magnesium hydrides selective hydrogen adsorption Air stability Amorphous Al_(2)O_(3)shells
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Mechanical Anisotropy of Ti-6Al-4V Alloy Fabricated by Selective Laser Melting
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作者 Liu Junwei Liu Zhenya +3 位作者 Fan Caihe Ou Ling He Wuqiang Ma Wudan 《稀有金属材料与工程》 北大核心 2026年第1期35-46,共12页
To explore the formation mechanism of anisotropy in Ti-6Al-4V alloy fabricated by selective laser melting(SLM),the compressive mechanical properties,microhardness,microstructure,and crystallographic orientation of the... To explore the formation mechanism of anisotropy in Ti-6Al-4V alloy fabricated by selective laser melting(SLM),the compressive mechanical properties,microhardness,microstructure,and crystallographic orientation of the alloy across different planes were investigated.The anisotropy of SLM-fabricated Ti-6Al-4V alloys was analyzed,and the electron backscatter diffraction technique was used to investigate the influence of different grain types and orientations on the stress-strain distribution at various scales.Results reveal that in room-temperature compression tests at a strain rate of 10^(-3) s^(-1),both the compressive yield strength and microhardness vary along the deposition direction,indicating a certain degree of mechanical property anisotropy.The alloy exhibits a columnar microstructure;along the deposition direction,the grains appear equiaxed,and they have internal hexagonal close-packed(hcp)α/α'martensitic structure.α'phase has a preferential orientation approximately along the<0001>direction.Anisotropy arises from the high aspect ratio of columnar grains,along with the weak texture of the microstructure and low symmetry of the hcp crystal structure. 展开更多
关键词 selective laser melting TI-6AL-4V ANISOTROPY crystal orientation
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Detecting Anomalies in FinTech: A Graph Neural Network and Feature Selection Perspective
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作者 Vinh Truong Hoang Nghia Dinh +3 位作者 Viet-Tuan Le Kiet Tran-Trung Bay Nguyen Van Kittikhun Meethongjan 《Computers, Materials & Continua》 2026年第1期207-246,共40页
The Financial Technology(FinTech)sector has witnessed rapid growth,resulting in increasingly complex and high-volume digital transactions.Although this expansion improves efficiency and accessibility,it also introduce... The Financial Technology(FinTech)sector has witnessed rapid growth,resulting in increasingly complex and high-volume digital transactions.Although this expansion improves efficiency and accessibility,it also introduces significant vulnerabilities,including fraud,money laundering,and market manipulation.Traditional anomaly detection techniques often fail to capture the relational and dynamic characteristics of financial data.Graph Neural Networks(GNNs),capable of modeling intricate interdependencies among entities,have emerged as a powerful framework for detecting subtle and sophisticated anomalies.However,the high-dimensionality and inherent noise of FinTech datasets demand robust feature selection strategies to improve model scalability,performance,and interpretability.This paper presents a comprehensive survey of GNN-based approaches for anomaly detection in FinTech,with an emphasis on the synergistic role of feature selection.We examine the theoretical foundations of GNNs,review state-of-the-art feature selection techniques,analyze their integration with GNNs,and categorize prevalent anomaly types in FinTech applications.In addition,we discuss practical implementation challenges,highlight representative case studies,and propose future research directions to advance the field of graph-based anomaly detection in financial systems. 展开更多
关键词 GNN SECURITY ECOMMERCE FinTech abnormal detection feature selection
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FedCW: Client Selection with Adaptive Weight in Heterogeneous Federated Learning
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作者 Haotian Wu Jiaming Pei Jinhai Li 《Computers, Materials & Continua》 2026年第1期1551-1570,共20页
With the increasing complexity of vehicular networks and the proliferation of connected vehicles,Federated Learning(FL)has emerged as a critical framework for decentralized model training while preserving data privacy... With the increasing complexity of vehicular networks and the proliferation of connected vehicles,Federated Learning(FL)has emerged as a critical framework for decentralized model training while preserving data privacy.However,efficient client selection and adaptive weight allocation in heterogeneous and non-IID environments remain challenging.To address these issues,we propose Federated Learning with Client Selection and Adaptive Weighting(FedCW),a novel algorithm that leverages adaptive client selection and dynamic weight allocation for optimizing model convergence in real-time vehicular networks.FedCW selects clients based on their Euclidean distance from the global model and dynamically adjusts aggregation weights to optimize both data diversity and model convergence.Experimental results show that FedCW significantly outperforms existing FL algorithms such as FedAvg,FedProx,and SCAFFOLD,particularly in non-IID settings,achieving faster convergence,higher accuracy,and reduced communication overhead.These findings demonstrate that FedCW provides an effective solution for enhancing the performance of FL in heterogeneous,edge-based computing environments. 展开更多
关键词 Federated learning non-IID client selection weight allocation vehicular networks
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Experimental Study of Selective Batch Bio-Adsorption for the Removal of Dyes in Industrial Textile Effluents 被引量:3
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作者 Zakaria Laggoun Amel Khalfaoui +3 位作者 Kerroum Derbal Amira Fadia Ghomrani Abderrezzaq Benalia Antonio Pizzi 《Journal of Renewable Materials》 2025年第1期127-146,共20页
This research aims to study the bio-adsorption process of two dyes,Cibacron Green H3G(CG-H3G)and Terasil Red(TR),in a single system and to bring them closer to the industrial textile discharge by a binary mixture of t... This research aims to study the bio-adsorption process of two dyes,Cibacron Green H3G(CG-H3G)and Terasil Red(TR),in a single system and to bring them closer to the industrial textile discharge by a binary mixture of two dyes(TR+CG-H3G).The Cockle Shell(CS)was used as a natural bio-adsorbent.The characterizations of CS were investigated by Fourier transform infrared(FTIR),X-ray diffraction(XRD),scanning electron microscopy(SEM),energy-dispersive X-ray spectroscopy(EDX)and Brunauer–Emmett–Teller(BET).The adsorption potential of Cockle Shells was tested in two cases(single and binary system)and determined by:contact time(0–60 min),bio-adsorption dose(3–15 g/L),initial concentration(10–300 mg/L),temperature(22–61°C)and pH solution(2–12).The study of bio-adsorption(equilibrium and kinetics)was conducted at 22°C.The kinetic studies demon-strated that a pseudo-second-order adsorption mechanism had a good correlation coefficient(R2≥0.999).The Langmuir isotherm modeling provided a well-defined description of TR and CG-H3G bio-adsorption on cockle shells,exhibiting maximum capacities of 29.41 and 3.69 mg/g respectively at 22°C.The thermodynamic study shows that the reaction between the TR,CG-H3G dyes molecules and the bio-adsorbent is exothermic,spontaneous in the range of 22–31°C with the aleatory character decrease at the solid-liquid interface.The study of selectivity in single and binary systems has been performed under optimal operating conditions using the industrial textile rejection pH(pH=6.04).CG-H3G dye is found to have a higher selectivity than TR in single(0–60 min)and binary systems with a range of 6–45 min,as shown by the selectivity measurement.It was discovered that CS has the capability to remove both CG-H3G and TR dyes in both simple and binary systems,making it a superior bio-adsorbent. 展开更多
关键词 Cockle shells bio-adsorption binary system dyes cibacron green terasil red selectivity
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GSLDWOA: A Feature Selection Algorithm for Intrusion Detection Systems in IIoT
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作者 Wanwei Huang Huicong Yu +3 位作者 Jiawei Ren Kun Wang Yanbu Guo Lifeng Jin 《Computers, Materials & Continua》 2026年第1期2006-2029,共24页
Existing feature selection methods for intrusion detection systems in the Industrial Internet of Things often suffer from local optimality and high computational complexity.These challenges hinder traditional IDS from... Existing feature selection methods for intrusion detection systems in the Industrial Internet of Things often suffer from local optimality and high computational complexity.These challenges hinder traditional IDS from effectively extracting features while maintaining detection accuracy.This paper proposes an industrial Internet ofThings intrusion detection feature selection algorithm based on an improved whale optimization algorithm(GSLDWOA).The aim is to address the problems that feature selection algorithms under high-dimensional data are prone to,such as local optimality,long detection time,and reduced accuracy.First,the initial population’s diversity is increased using the Gaussian Mutation mechanism.Then,Non-linear Shrinking Factor balances global exploration and local development,avoiding premature convergence.Lastly,Variable-step Levy Flight operator and Dynamic Differential Evolution strategy are introduced to improve the algorithm’s search efficiency and convergence accuracy in highdimensional feature space.Experiments on the NSL-KDD and WUSTL-IIoT-2021 datasets demonstrate that the feature subset selected by GSLDWOA significantly improves detection performance.Compared to the traditional WOA algorithm,the detection rate and F1-score increased by 3.68%and 4.12%.On the WUSTL-IIoT-2021 dataset,accuracy,recall,and F1-score all exceed 99.9%. 展开更多
关键词 Industrial Internet of Things intrusion detection system feature selection whale optimization algorithm Gaussian mutation
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Selective flotation of ilmenite from titanaugite under weakly acidic pH conditions using 2-amino-1-propanol as novel depressant 被引量:1
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作者 Chuan DAI Pan CHEN +2 位作者 Yao-hui YANG Wei SUN Hong-bin WANG 《Transactions of Nonferrous Metals Society of China》 2025年第4期1325-1337,共13页
The potential of 2-amino-1-propanol(AP)as a novel depressant in selectively floating ilmenite from titanaugite under weakly acidic conditions was investigated.Micro-flotation results show that AP significantly reduces... The potential of 2-amino-1-propanol(AP)as a novel depressant in selectively floating ilmenite from titanaugite under weakly acidic conditions was investigated.Micro-flotation results show that AP significantly reduces the recovery of titanaugite while having no evident impact on ilmenite flotation.Subsequent bench-scale flotation tests further confirm a remarkable improvement in separation efficiency upon the introduction of AP.Contact angle and adsorption tests reveal a stronger affinity of AP towards the titanaugite surface in comparison to ilmenite.Zeta potential measurements and X-ray photoelectron spectroscopy(XPS)analyses exhibit favorable adsorption characteristics of AP on titanaugite,resulting from a synergy of electrostatic attraction and chemical interaction.In contrast,electrostatic repulsion hinders any significant interaction between AP and the ilmenite surface.These findings highlight the potential of AP as a highly efficient depressant for ilmenite flotation,paving the way for reduced reliance on sulfuric acid in the industry. 展开更多
关键词 ILMENITE titanaugite selective flotation weakly acidic condition depressant
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Efficient Arabic Essay Scoring with Hybrid Models: Feature Selection, Data Optimization, and Performance Trade-Offs
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作者 Mohamed Ezz Meshrif Alruily +4 位作者 Ayman Mohamed Mostafa Alaa SAlaerjan Bader Aldughayfiq Hisham Allahem Abdulaziz Shehab 《Computers, Materials & Continua》 2026年第1期2274-2301,共28页
Automated essay scoring(AES)systems have gained significant importance in educational settings,offering a scalable,efficient,and objective method for evaluating student essays.However,developing AES systems for Arabic... Automated essay scoring(AES)systems have gained significant importance in educational settings,offering a scalable,efficient,and objective method for evaluating student essays.However,developing AES systems for Arabic poses distinct challenges due to the language’s complex morphology,diglossia,and the scarcity of annotated datasets.This paper presents a hybrid approach to Arabic AES by combining text-based,vector-based,and embeddingbased similarity measures to improve essay scoring accuracy while minimizing the training data required.Using a large Arabic essay dataset categorized into thematic groups,the study conducted four experiments to evaluate the impact of feature selection,data size,and model performance.Experiment 1 established a baseline using a non-machine learning approach,selecting top-N correlated features to predict essay scores.The subsequent experiments employed 5-fold cross-validation.Experiment 2 showed that combining embedding-based,text-based,and vector-based features in a Random Forest(RF)model achieved an R2 of 88.92%and an accuracy of 83.3%within a 0.5-point tolerance.Experiment 3 further refined the feature selection process,demonstrating that 19 correlated features yielded optimal results,improving R2 to 88.95%.In Experiment 4,an optimal data efficiency training approach was introduced,where training data portions increased from 5%to 50%.The study found that using just 10%of the data achieved near-peak performance,with an R2 of 85.49%,emphasizing an effective trade-off between performance and computational costs.These findings highlight the potential of the hybrid approach for developing scalable Arabic AES systems,especially in low-resource environments,addressing linguistic challenges while ensuring efficient data usage. 展开更多
关键词 Automated essay scoring text-based features vector-based features embedding-based features feature selection optimal data efficiency
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A new radioactive microsphere:Y-90 carbon microsphere for selective internal radiation therapy of advanced liver cancer 被引量:1
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作者 Xiaosheng Zhao Jie Gao +13 位作者 Kun Shi Chixiang Zhang Wenliang Ma Guo Lyu Jun Zhang Jing Lu Qiangqiang Liu Xianjin Luo Kunru Yu Jianguo Li Qiang Ge Jiming Cai Chang Liu Zhiyong Qian 《Chinese Chemical Letters》 2025年第8期360-365,共6页
Radioactive microspheres have demonstrated excellent therapeutic effects and good tolerance in the treatment of unresectable primary and secondary liver malignancies.This is attributed to precise embolization and pote... Radioactive microspheres have demonstrated excellent therapeutic effects and good tolerance in the treatment of unresectable primary and secondary liver malignancies.This is attributed to precise embolization and potent anti-tumor effect.However,certain limitations such as unstable loading,perfusion stasis,heterogeneous distribution,ectopic distribution,and insufficient dosage,restrict their clinical application.Herein,a novel personalized Y-90 carbon microsphere with high uniformity,high specific activity and high availability(^(90)Y-HUACM)is presented.It is synthesized through planar molecular complex adsorption and chemical deposition solidification.^(90)Y-HUACM exhibited controllable size,excellent biocompatibility,outstanding in vitro and in vivo stability.The radiolabeling efficiency of Y-90 exceeded 99%and the leaching rate of Y-90 is far below 0.1%.Furthermore,the excellent anti-tumor effect,nuclide loading stability,anti-reflux characteristics,precise embolization,and biosafety of^(90)Y-HUACM were validated in a rabbit VX2liver tumor model.In summary,this new,high-performance,and customizable radioactive microsphere provides a superior choice for selective internal radiation treatment of advanced liver cancer is expected to be rapidly applied in clinical practice. 展开更多
关键词 Carbon microsphere Yttrium-90 selective internal radiation therapy Livercancer RADIOACTIVE
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Federated Multi-Label Feature Selection via Dual-Layer Hybrid Breeding Cooperative Particle Swarm Optimization with Manifold and Sparsity Regularization
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作者 Songsong Zhang Huazhong Jin +5 位作者 Zhiwei Ye Jia Yang Jixin Zhang Dongfang Wu Xiao Zheng Dingfeng Song 《Computers, Materials & Continua》 2026年第1期1141-1159,共19页
Multi-label feature selection(MFS)is a crucial dimensionality reduction technique aimed at identifying informative features associated with multiple labels.However,traditional centralized methods face significant chal... Multi-label feature selection(MFS)is a crucial dimensionality reduction technique aimed at identifying informative features associated with multiple labels.However,traditional centralized methods face significant challenges in privacy-sensitive and distributed settings,often neglecting label dependencies and suffering from low computational efficiency.To address these issues,we introduce a novel framework,Fed-MFSDHBCPSO—federated MFS via dual-layer hybrid breeding cooperative particle swarm optimization algorithm with manifold and sparsity regularization(DHBCPSO-MSR).Leveraging the federated learning paradigm,Fed-MFSDHBCPSO allows clients to perform local feature selection(FS)using DHBCPSO-MSR.Locally selected feature subsets are encrypted with differential privacy(DP)and transmitted to a central server,where they are securely aggregated and refined through secure multi-party computation(SMPC)until global convergence is achieved.Within each client,DHBCPSO-MSR employs a dual-layer FS strategy.The inner layer constructs sample and label similarity graphs,generates Laplacian matrices to capture the manifold structure between samples and labels,and applies L2,1-norm regularization to sparsify the feature subset,yielding an optimized feature weight matrix.The outer layer uses a hybrid breeding cooperative particle swarm optimization algorithm to further refine the feature weight matrix and identify the optimal feature subset.The updated weight matrix is then fed back to the inner layer for further optimization.Comprehensive experiments on multiple real-world multi-label datasets demonstrate that Fed-MFSDHBCPSO consistently outperforms both centralized and federated baseline methods across several key evaluation metrics. 展开更多
关键词 Multi-label feature selection federated learning manifold regularization sparse constraints hybrid breeding optimization algorithm particle swarm optimizatio algorithm privacy protection
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Discovery of selective HDAC6 inhibitors driven by artificial intelligence and molecular dynamics simulation approaches 被引量:1
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作者 Xingang Liu Hao Yang +10 位作者 Xinyu Liu Minjie Mou Jie Liu Wenying Yan Tianle Niu Ziyang Zhang He Shi Xiangdong Su Xuedong Li Yang Zhang Qingzhong Jia 《Journal of Pharmaceutical Analysis》 2025年第8期1860-1872,共13页
Increasing evidence showed that histone deacetylase 6(HDAC6)dysfunction is directly associated with the onset and progression of various diseases,especially cancers,making the development of HDAC6-targeted anti-tumor ... Increasing evidence showed that histone deacetylase 6(HDAC6)dysfunction is directly associated with the onset and progression of various diseases,especially cancers,making the development of HDAC6-targeted anti-tumor agents a research hotspot.In this study,artificial intelligence(AI)technology and molecular simulation strategies were fully integrated to construct an efficient and precise drug screening pipeline,which combined Voting strategy based on compound-protein interaction(CPI)prediction models,cascade molecular docking,and molecular dynamic(MD)simulations.The biological potential of the screened compounds was further evaluated through enzymatic and cellular activity assays.Among the identified compounds,Cmpd.18 exhibited more potent HDAC6 enzyme inhibitory activity(IC_(50)=5.41 nM)than that of tubastatin A(TubA)(IC_(50)=15.11 nM),along with a favorable subtype selectivity profile(selectivity index z 117.23 for HDAC1),which was further verified by the Western blot analysis.Additionally,Cmpd.18 induced G2/M phase arrest and promoted apoptosis in HCT-116 cells,exerting desirable antiproliferative activity(IC_(50)=2.59 mM).Furthermore,based on long-term MD simulation trajectory,the key residues facilitating Cmpd.18's binding were identified by decomposition free energy analysis,thereby elucidating its binding mechanism.Moreover,the representative conformation analysis also indicated that Cmpd.18 could stably bind to the active pocket in an effective conformation,thus demonstrating the potential for in-depth research of the 2-(2-phenoxyethyl)pyridazin-3(2H)-one scaffold. 展开更多
关键词 Artificial intelligence Virtual screening Compound-protein interaction Molecular dynamic simulation selective HDAC6 inhibitor
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Advancements in hydrogen embrittlement of selective laser melting austenitic stainless steel:Mechanisms,microstructures,and future directions 被引量:1
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作者 Chilou Zhou Xinrui Yan +5 位作者 Haixiang Wang Yanlei Huang Jinxin Xue Jiaqing Li Xinfeng Li Wulin Han 《Journal of Materials Science & Technology》 2025年第27期219-235,共17页
Austenitic stainless steel(ASS)is a common material used in high-pressure hydrogen systems.Prolonged exposure to high-pressure hydrogen can cause hydrogen embrittlement(HE),raising significant safety concerns.Selectiv... Austenitic stainless steel(ASS)is a common material used in high-pressure hydrogen systems.Prolonged exposure to high-pressure hydrogen can cause hydrogen embrittlement(HE),raising significant safety concerns.Selective Laser Melting(SLM),known for its high precision,is a promising additive manufacturing technology that has been widely adopted across various industries.Studies have reported that under certain SLM manufacturing conditions and process parameters,the HE resistance of SLM ASS is significantly better than that of conventionally manufactured(CM)ASS,showing great potential for application in high-pressure hydrogen systems.Thus,studying the HE of SLM ASS is crucial for further improving the safety of high-pressure hydrogen systems.This paper provides an overview of the SLM process,reviews the mechanisms of HE and their synergistic effects,and analyzes the HE characteristics of SLM ASS.Additionally,it examines the influence of unique microstructures and SLM process variables on HE of SLM ASS and offers recommendations for future research to enhance the safety of high-pressure hydrogen systems. 展开更多
关键词 Hydrogen embrittlement Austenitic stainless steel selective laser melting Processing parameter Hydrogen damage Additive manufacturing
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Base-Catalyzed Chemoselective Substitution ofβ-Ketonitrile with Azodicarboxylates
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作者 Guo Yishi Sang Tian +1 位作者 Liu Yan Liu Ping 《有机化学》 北大核心 2025年第4期1249-1260,共12页
Base-catalyzed nucleophilic substitution reactions ofβ-ketonitrile with azodicarboxylates have been developed.A series of disubstituted C—N coupling products were obtained in good to excellent yields under Et_(3)N c... Base-catalyzed nucleophilic substitution reactions ofβ-ketonitrile with azodicarboxylates have been developed.A series of disubstituted C—N coupling products were obtained in good to excellent yields under Et_(3)N catalysis.Monosubstitu-tion C—N bond formation reaction catalyzed by K_(2)CO_(3) also gave novel enol-based target products.This method is simple and mild,with good chemoselectivity,excellent substrate compatibility and tolerance for various functional groups,and achieves gram-scale synthesis.The reaction is a nucleophilic substitution process without the involvement of free radicals. 展开更多
关键词 base-catalysis β-ketonitrile selective substitution AZODICARBOXYLATE
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A Conductive and Ion‐Selective Electrocatalyst Enables Stable and Efficient Direct Saline Water Splitting
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作者 Juan He Shiyi Li +14 位作者 Zekai Zhang Ruidan Duan Fang Xu Linfeng Lei Yixing Wang Daqin Guan Zhiwei Hu Siyao Li Linzhou Zhuang Kang Huang Minghui Zhu Cheng Lian Wei Zhou Zongping Shao Zhi Xu 《Carbon Energy》 2025年第11期108-118,共11页
Seawater electrolysis is promising for green hydrogen production, while its application is inhibited by sluggish anodic oxygen evolution reaction (OER) and rapid chloride corrosion‐induced electrode deactivation. Her... Seawater electrolysis is promising for green hydrogen production, while its application is inhibited by sluggish anodic oxygen evolution reaction (OER) and rapid chloride corrosion‐induced electrode deactivation. Herein, we report a conductive and ion‐ selective OER electrocatalyst with a CoFe alloy core and microporous metal‐doped carbon shell. Co/Fe‐N_(4)‐C active sites in the shell optimize the adsorption strength of intermediates and synergize with the metal core to endow the catalyst with high OER activity and selectivity, while the rich ultra‐micropores in the shell demonstrate a significant sieving effect to hinder Cl− transfer, thus protecting the inner Co/Fe‐N_(4)‐C active sites and metal core from Cl− corrosion. The catalyst is assembled in an alkaline seawater electrolyzer with an electrode geometric area of 254 cm^(2) and delivers a current density of 3000 A m^(-2) at 1.85 V for 330 h. Such catalysts can be synthesized in a large batch (100 g), providing sound opportunities for industrial seawater splitting. 展开更多
关键词 ionselective long‐term stability oxygen evolution reaction scalable production seawater electrolysis
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A Self-Recognition Separator for Ion Management to Customize Selective Zn^(2+)Channels Toward Dendrite-Free Zinc Metal Anodes
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作者 Yingbo Shao Wen Lu +4 位作者 Tianyu Zhang Bowen Yin Bin-Bin Xie Jiqiang Ning Yong Hu 《Carbon Energy》 2025年第4期163-176,共14页
Aqueous zinc-ion batteries(ZIBs)are promising candidates for next-generation energy storage,but the problems related to Zn dendrites and side reactions severely hinder their practical applications.Herein,a self-recogn... Aqueous zinc-ion batteries(ZIBs)are promising candidates for next-generation energy storage,but the problems related to Zn dendrites and side reactions severely hinder their practical applications.Herein,a self-recognition separator based on a Bi-based metal-organic framework(GF@CAU-17)is developed for ion management to achieve highly reversible Zn anodes.The GF@CAU-17 has self-recognition behavior to customize selective Zn^(2+)channels,effectively repelling SO_(4)^(2-)and H_(2)O,but facilitating Zn^(2+)conduction.The inherent properties of CAU-17 result in the repulsion of SO_(4)^(2-)ions while disrupting the hydrogen bond network among free H_(2)O molecules,restraining side reactions and by-products.Simultaneously,the zincophilic characteristic of CAU-17 expedites the desolvation of[Zn(H_(2)O)6]^(2+),leading to a self-expedited Zn^(2+)ion pumping effect that dynamically produces a steady and homogeneous Zn^(2+)ion flux,and thereby alleviates concentration polarization.Consequently,a symmetric cell based on the GF@CAU-17 separator can achieve a long lifespan of 4450 h.Moreover,the constructed Zn//GF@CAU-17//MnO_(2)cell delivers a high specific capacity of 221.8 mAh g^(-1)and 88.0%capacity retention after 2000 cycles. 展开更多
关键词 CAU-17 self-recognition separator ion management selective Zn^(2+)channels Zn anodes
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A propane‑selective metal‑organic framework for inverse selective adsorption propane/propylene separation
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作者 YANG Shanqing WANG Lulu +3 位作者 ZHANG Qiang LI Jiajia LI Yilong HU Tongliang 《无机化学学报》 北大核心 2025年第10期2138-2148,共11页
We report a robust pillar-layered metal-organic framework,Zn‑tfbdc‑dabco(tfbdc:tetrafluoroterephthal-ate,dabco:1,4-diazabicyclo[2.2.2]octane),featuring the fluorinated pore environment,for the preferential binding of ... We report a robust pillar-layered metal-organic framework,Zn‑tfbdc‑dabco(tfbdc:tetrafluoroterephthal-ate,dabco:1,4-diazabicyclo[2.2.2]octane),featuring the fluorinated pore environment,for the preferential binding of propane over propylene and thus highly inverse selective separation of propane/propylene mixture.The inverse propane-selective performance of Zn‑tfbdc‑dabco for the propane/propylene separation was validated by single-component gas adsorption isotherms,isosteric enthalpy of adsorption calculations,ideal adsorbed solution theory calculations,along with the breakthrough experiment.The customized fluorinated networks served as a propane-trap to form more interactions with the exposed hydrogen atoms of propane,as unveiled by the simulation studies at the molecular level.With the advantage of inverse propane-selective adsorption behavior,high adsorption capacity,good cycling stability,and low isosteric enthalpy of adsorption,Zn‑tfbdc‑dabco can be a promising candidate adsorbent for the challenging propane/propylene separation to realize one-step purification of the target propylene substance. 展开更多
关键词 metal-organic framework propane/propylene separation inverse selective adsorption separation
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The defect-modulated UiO-66(Ce) MOFs for enhancing photocatalytic selective organic oxidations 被引量:1
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作者 Cheng Liu Ying-Zhang Shi +4 位作者 Qi Chen Bing-Hua Ye Jin-Hong Bi Jimmy C.Yu Ling Wu 《Rare Metals》 2025年第4期2462-2473,共12页
Defect engineering in metal organic frameworks(MOFs)has captured significant attention in the field of photocatalysis.A series of UiO-66(Ce)(UiO=University of Oslo)MOFs with different contents of missing-linker defect... Defect engineering in metal organic frameworks(MOFs)has captured significant attention in the field of photocatalysis.A series of UiO-66(Ce)(UiO=University of Oslo)MOFs with different contents of missing-linker defects have been developed for the photocatalytic selective oxidation of benzylamine(BA)and thioanisole(TA)under visible light.The introduction of missing-linker defects promotes the formation of unsaturated Ce sites with a high Ce3+content.It also generates a high concentration of oxygen vacancies.In situ Fourier transform infrared spectroscopy(FTIR)results revealed that BA and TA molecules were activated on coordinatively unsaturated Ce sites via the H-N…Ce and the C-S…Ce interactions,respectively.Simulated in situ electron paramagnetic resonance(EPR)data indicate that O_(2) activation and reduction occur at coordinatively unsaturated Ce^(3+)sites to form·O_(2)^(-).This is accelerated by the Ce^(3+)/Ce^(4+)redox cycle associated with the photogenerated electrons.The corresponding photogenerated holes are involved in the deprotonation of the activated BA and TA.The most active sample exhibits 98.4%and 95.5%conversion rates for BA and TA oxidation.Mechanisms for the molecular activation are proposed at the molecular level. 展开更多
关键词 UiO-66(Ce) Defective MOFs Photocatalytic selective organic oxidation Molecular activation Ce^(3+)/Ce^(4+)redox cycling
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