A new perspective was reported to design the self-densified plasma electrolytic oxidation(SDF-PEO)coat-ings on magnesium alloys based on the dissolution-ionization-diffusion-deposition(DIDD)model.The main consideratio...A new perspective was reported to design the self-densified plasma electrolytic oxidation(SDF-PEO)coat-ings on magnesium alloys based on the dissolution-ionization-diffusion-deposition(DIDD)model.The main considerations of the new PEO electrolyte include the establishment of a thermodynamics diagram,the construction of a liquid-solid sintering system and the regulation of plasma sparkling kinetics.The SDF-PEO coating exhibited a homogeneous and dense microstructure,superior corrosion resistance and good technological adaptability.This work offers a novel theory to design surface treatment solutions with superior corrosion resistance and promising application prospects.展开更多
Recently,diffusion models have emerged as a promising paradigm for molecular design and optimization.However,most diffusion-based molecular generative models focus on modeling 2D graphs or 3D geom-etries,with limited ...Recently,diffusion models have emerged as a promising paradigm for molecular design and optimization.However,most diffusion-based molecular generative models focus on modeling 2D graphs or 3D geom-etries,with limited research on molecular sequence diffusion models.The International Union of Pure and Applied Chemistry(IUPAC)names are more akin to chemical natural language than the simplified molecular input line entry system(SMILES)for organic compounds.In this work,we apply an IUPAC-guided conditional diffusion model to facilitate molecular editing from chemical natural language to chemical language(SMILES)and explore whether the pre-trained generative performance of diffusion models can be transferred to chemical natural language.We propose DiffIUPAC,a controllable molecular editing diffusion model that converts IUPAC names to SMILES strings.Evaluation results demonstrate that our model out-performs existing methods and successfully captures the semantic rules of both chemical languages.Chemical space and scaffold analysis show that the model can generate similar compounds with diverse scaffolds within the specified constraints.Additionally,to illustrate the model’s applicability in drug design,we conducted case studies in functional group editing,analogue design and linker design.展开更多
近年来细胞生物力学在肥胖防治中的研究逐渐受到关注。儿童肥胖是成年代谢性疾病早期关键的防治窗口,细胞生物力学可为儿童肥胖的防治提供新的可能。传统上主要聚焦于宏观层面的运动力学,而近年来的研究已进一步深入至细胞和分子水平。...近年来细胞生物力学在肥胖防治中的研究逐渐受到关注。儿童肥胖是成年代谢性疾病早期关键的防治窗口,细胞生物力学可为儿童肥胖的防治提供新的可能。传统上主要聚焦于宏观层面的运动力学,而近年来的研究已进一步深入至细胞和分子水平。为了解细胞生物力学下儿童肥胖研究进展,以细胞生物力学和儿童肥胖为检索词,通过计算机系统检索PubMed、Web of Science及CNKI等数据库,检索时限为2011—2025年,纳入近五年文献率90%以上。本文通过介绍生物力学作用元件,总结饮食运动管理和遗传因素相关的细胞生物力学研究成果,并对细胞生物力学视角下儿童肥胖的未来发展进行了展望,以期为儿童肥胖的研究拓展研究思路,提供参考。展开更多
Host-derived small RNAs are emerging as critical regulators in the dynamic interactions between host tissues and the microbiome,with implications for microbial pathogenesis and host defense.Among these,transfer RNA-de...Host-derived small RNAs are emerging as critical regulators in the dynamic interactions between host tissues and the microbiome,with implications for microbial pathogenesis and host defense.Among these,transfer RNA-derived small RNAs(tsRNAs)have garnered attention for their roles in modulating microbial behavior.However,the bacterial factors mediating tsRNA interaction and functionality remain poorly understood.In this study,using RNA affinity pull-down assay in combination with mass spectrometry,we identified a putative membrane-bound protein,annotated as P-type ATPase transporter(PtaT)in Fusobacterium nucleatum(Fn),which binds Fn-targeting tsRNAs in a sequence-specific manner.Through targeted mutagenesis and phenotypic characterization,we showed that in both the Fn type strain and a clinical tumor isolate,deletion of ptaT led to reduced tsRNA intake and enhanced resistance to tsRNA-induced growth inhibition.Global RNA sequencing and label-free Raman spectroscopy revealed the phenotypic differences between Fn wild type and PtaT-deficient mutant,highlighting the functional significance of PtaT in purine and pyrimidine metabolism.Furthermore,AlphaFold 3 prediction provides evidence supporting the specific binding between PtaT and Fn-targeting tsRNA.By uncovering the first RNA-binding protein in Fn implicated in growth modulation through interactions with host-derived small RNAs(sRNAs),our study offers new insights into sRNA-mediated host-pathogen interplay within the context of microbiome-host interactions.展开更多
The authors regret that due to negligence,the picture was misplaced in the original manuscript,resulting in Fig.6d being incorrectly included.The correct version of Fig.6d is provided below for reference.This error do...The authors regret that due to negligence,the picture was misplaced in the original manuscript,resulting in Fig.6d being incorrectly included.The correct version of Fig.6d is provided below for reference.This error does not affect the conclusions of the study,and we apologize for any confusion it may have caused.展开更多
The wheel-rail dynamic load(WRL)and its vibration energy transfer(VET)are foundational for studying ballastless track dynamics in high-speed railways.In this study,the higher-order modal parameters of track beds with ...The wheel-rail dynamic load(WRL)and its vibration energy transfer(VET)are foundational for studying ballastless track dynamics in high-speed railways.In this study,the higher-order modal parameters of track beds with different isolating layers were identified experimentally and a vehicle-track coupled dynamic model considering track bed broadband vibrations(TBBVs)was established.The WRL and its VET were investigated,and the contribution law as well as the influence mechanism of TBBVs on them was determined.The results showed the WRL and track bed vibration energy exhibited significant resonances,with more prominent high-frequency resonance peaks in the track bed vibration energy.TBBVs had a significant effect on low-frequency WRLs,and markedly influenced the VET across various frequency bands.Intense low-frequency and weak high-frequency intermodulation effects between the wheel-rail and track beds were observed.The effect of track bed vibrations can be disregarded when focusing on high-frequency WRLs above 200 Hz.Variations in the isolating layer stiffness have more significant effects on the track bed vibration energy than the WRL.Rational stiffness of the isolating layer should be selected to avoid mode-coupling resonance from track beds to the wheel-rail subsystem.展开更多
Co_(3)O_(4)possesses both direct and indirect oxidation effects and is considered as a promising catalyst for the oxidation of 5-hydroxymethylfurfural(HMF).However,the enrichment and activation effects of Co_(3)O_(4)o...Co_(3)O_(4)possesses both direct and indirect oxidation effects and is considered as a promising catalyst for the oxidation of 5-hydroxymethylfurfural(HMF).However,the enrichment and activation effects of Co_(3)O_(4)on OH-and HMF are weak,which limits its further application.Metal defect engineering can regulate the electronic structure,optimize the adsorption of intermediates,and improve the catalytic activity by breaking the symmetry of the material,which is rarely involved in the upgrading of biomass.In this work,we prepare Co_(3)O_(4)with metal defects and load the precious metal platinum at the defect sites(PtVco).The results of in-situ characterizatio ns,electrochemical measurements,and theoretical calculations indicate that the reduction of Co-Co coordination number and the formation of Pt-Co bond induce the decrease of electron filling in the antibonding orbitals of Co element.The resulting upward shift of the d-band center of Co combined with the characteristic adsorption of Pt species synergically enhances the enrichment and activation of organic molecules and OH species,thus exhibiting excellent HMF oxidation activity(including a lower onset potential(1.14 V)and 19 times higher current density than pure Co_(3)O_(4)at 1.35 V).In summary,this work explores the adsorption enhancement mechanism of metal defect sites modified by precious metal in detail,provides a new option for improving the HMF oxidation activity of cobalt-based materials,broadens the application field of metal defect based materials,and gives an innovative guidance for the functional utilization of metal defect sites in biomass conversion.展开更多
Wireless Sensor Networks(WSNs),as a crucial component of the Internet of Things(IoT),are widely used in environmental monitoring,industrial control,and security surveillance.However,WSNs still face challenges such as ...Wireless Sensor Networks(WSNs),as a crucial component of the Internet of Things(IoT),are widely used in environmental monitoring,industrial control,and security surveillance.However,WSNs still face challenges such as inaccurate node clustering,low energy efficiency,and shortened network lifespan in practical deployments,which significantly limit their large-scale application.To address these issues,this paper proposes an Adaptive Chaotic Ant Colony Optimization algorithm(AC-ACO),aiming to optimize the energy utilization and system lifespan of WSNs.AC-ACO combines the path-planning capability of Ant Colony Optimization(ACO)with the dynamic characteristics of chaotic mapping and introduces an adaptive mechanism to enhance the algorithm’s flexibility and adaptability.By dynamically adjusting the pheromone evaporation factor and heuristic weights,efficient node clustering is achieved.Additionally,a chaotic mapping initialization strategy is employed to enhance population diversity and avoid premature convergence.To validate the algorithm’s performance,this paper compares AC-ACO with clustering methods such as Low-Energy Adaptive Clustering Hierarchy(LEACH),ACO,Particle Swarm Optimization(PSO),and Genetic Algorithm(GA).Simulation results demonstrate that AC-ACO outperforms the compared algorithms in key metrics such as energy consumption optimization,network lifetime extension,and communication delay reduction,providing an efficient solution for improving energy efficiency and ensuring long-term stable operation of wireless sensor networks.展开更多
Dendrite growth represents one of the most significant challenges that impede the development of aqueous zinc-ion batteries.Herein,Gd^(3+)ions are introduced into conventional electrolytes as a microlevelling agent to...Dendrite growth represents one of the most significant challenges that impede the development of aqueous zinc-ion batteries.Herein,Gd^(3+)ions are introduced into conventional electrolytes as a microlevelling agent to achieve dendrite-free zinc electrodeposition.Simulation and experimental results demonstrate that these Gd^(3+)ions are preferentially adsorbed onto the zinc surface,which enables dendritefree zinc anodes by activating the microlevelling effect during electrodeposition.In addition,the Gd^(3+)additives effectively inhibit side reactions and facilitate the desolvation of[Zn(H_(2)O)_(6)]^(2+),leading to highly reversible zinc plating/stripping.Due to these improvements,the zinc anode demonstrates a significantly prolonged cycle life of 2100 h and achieves an exceptional average Coulombic efficiency of 99.72%over 1400 cycles.More importantly,the Zn//NH_(4)V_(4)O_(10)full cell shows a high capacity retention rate of 85.6%after 1000 cycles.This work not only broadens the application of metallic cations in battery electrolytes but also provides fundamental insights into their working mechanisms.展开更多
基金supported by the National Natural Sci-ence Foundation of China(Nos.U21A2045 and 52201066)the Liaoning Revitalization Talents Program(No.XLYC2002071).
文摘A new perspective was reported to design the self-densified plasma electrolytic oxidation(SDF-PEO)coat-ings on magnesium alloys based on the dissolution-ionization-diffusion-deposition(DIDD)model.The main considerations of the new PEO electrolyte include the establishment of a thermodynamics diagram,the construction of a liquid-solid sintering system and the regulation of plasma sparkling kinetics.The SDF-PEO coating exhibited a homogeneous and dense microstructure,superior corrosion resistance and good technological adaptability.This work offers a novel theory to design surface treatment solutions with superior corrosion resistance and promising application prospects.
基金supported by the Yonsei University graduate school Department of Integrative Biotechnology.
文摘Recently,diffusion models have emerged as a promising paradigm for molecular design and optimization.However,most diffusion-based molecular generative models focus on modeling 2D graphs or 3D geom-etries,with limited research on molecular sequence diffusion models.The International Union of Pure and Applied Chemistry(IUPAC)names are more akin to chemical natural language than the simplified molecular input line entry system(SMILES)for organic compounds.In this work,we apply an IUPAC-guided conditional diffusion model to facilitate molecular editing from chemical natural language to chemical language(SMILES)and explore whether the pre-trained generative performance of diffusion models can be transferred to chemical natural language.We propose DiffIUPAC,a controllable molecular editing diffusion model that converts IUPAC names to SMILES strings.Evaluation results demonstrate that our model out-performs existing methods and successfully captures the semantic rules of both chemical languages.Chemical space and scaffold analysis show that the model can generate similar compounds with diverse scaffolds within the specified constraints.Additionally,to illustrate the model’s applicability in drug design,we conducted case studies in functional group editing,analogue design and linker design.
文摘近年来细胞生物力学在肥胖防治中的研究逐渐受到关注。儿童肥胖是成年代谢性疾病早期关键的防治窗口,细胞生物力学可为儿童肥胖的防治提供新的可能。传统上主要聚焦于宏观层面的运动力学,而近年来的研究已进一步深入至细胞和分子水平。为了解细胞生物力学下儿童肥胖研究进展,以细胞生物力学和儿童肥胖为检索词,通过计算机系统检索PubMed、Web of Science及CNKI等数据库,检索时限为2011—2025年,纳入近五年文献率90%以上。本文通过介绍生物力学作用元件,总结饮食运动管理和遗传因素相关的细胞生物力学研究成果,并对细胞生物力学视角下儿童肥胖的未来发展进行了展望,以期为儿童肥胖的研究拓展研究思路,提供参考。
基金supported by NSF 2333230 (J.L.),NIH National Institute of Dental and Craniofacial Research (NIDCR) awards,DE030943 (X.H.),DE023810 (X.H.) and DE031329 (J.L.),T90 DE026110,and K99 DE033794 (to P.-T.D.)
文摘Host-derived small RNAs are emerging as critical regulators in the dynamic interactions between host tissues and the microbiome,with implications for microbial pathogenesis and host defense.Among these,transfer RNA-derived small RNAs(tsRNAs)have garnered attention for their roles in modulating microbial behavior.However,the bacterial factors mediating tsRNA interaction and functionality remain poorly understood.In this study,using RNA affinity pull-down assay in combination with mass spectrometry,we identified a putative membrane-bound protein,annotated as P-type ATPase transporter(PtaT)in Fusobacterium nucleatum(Fn),which binds Fn-targeting tsRNAs in a sequence-specific manner.Through targeted mutagenesis and phenotypic characterization,we showed that in both the Fn type strain and a clinical tumor isolate,deletion of ptaT led to reduced tsRNA intake and enhanced resistance to tsRNA-induced growth inhibition.Global RNA sequencing and label-free Raman spectroscopy revealed the phenotypic differences between Fn wild type and PtaT-deficient mutant,highlighting the functional significance of PtaT in purine and pyrimidine metabolism.Furthermore,AlphaFold 3 prediction provides evidence supporting the specific binding between PtaT and Fn-targeting tsRNA.By uncovering the first RNA-binding protein in Fn implicated in growth modulation through interactions with host-derived small RNAs(sRNAs),our study offers new insights into sRNA-mediated host-pathogen interplay within the context of microbiome-host interactions.
文摘The authors regret that due to negligence,the picture was misplaced in the original manuscript,resulting in Fig.6d being incorrectly included.The correct version of Fig.6d is provided below for reference.This error does not affect the conclusions of the study,and we apologize for any confusion it may have caused.
基金supported by the National Natural Science Foundation of China(No.52308468)the China Postdoctoral Science Foundation(No.2022M723390)the Jiangsu Provincial Excellent Postdoctoral Program(No.2023ZB020),China.
文摘The wheel-rail dynamic load(WRL)and its vibration energy transfer(VET)are foundational for studying ballastless track dynamics in high-speed railways.In this study,the higher-order modal parameters of track beds with different isolating layers were identified experimentally and a vehicle-track coupled dynamic model considering track bed broadband vibrations(TBBVs)was established.The WRL and its VET were investigated,and the contribution law as well as the influence mechanism of TBBVs on them was determined.The results showed the WRL and track bed vibration energy exhibited significant resonances,with more prominent high-frequency resonance peaks in the track bed vibration energy.TBBVs had a significant effect on low-frequency WRLs,and markedly influenced the VET across various frequency bands.Intense low-frequency and weak high-frequency intermodulation effects between the wheel-rail and track beds were observed.The effect of track bed vibrations can be disregarded when focusing on high-frequency WRLs above 200 Hz.Variations in the isolating layer stiffness have more significant effects on the track bed vibration energy than the WRL.Rational stiffness of the isolating layer should be selected to avoid mode-coupling resonance from track beds to the wheel-rail subsystem.
基金financially supported by the Natural Science Foundation of Shandong Province(ZR2023QB235,ZR202111240183,ZR2021QF120)the Postdoctoral Science Foundation of China(2022M711956)the Taishan Scholar Program of Shandong Province(tsqnz20231216).
文摘Co_(3)O_(4)possesses both direct and indirect oxidation effects and is considered as a promising catalyst for the oxidation of 5-hydroxymethylfurfural(HMF).However,the enrichment and activation effects of Co_(3)O_(4)on OH-and HMF are weak,which limits its further application.Metal defect engineering can regulate the electronic structure,optimize the adsorption of intermediates,and improve the catalytic activity by breaking the symmetry of the material,which is rarely involved in the upgrading of biomass.In this work,we prepare Co_(3)O_(4)with metal defects and load the precious metal platinum at the defect sites(PtVco).The results of in-situ characterizatio ns,electrochemical measurements,and theoretical calculations indicate that the reduction of Co-Co coordination number and the formation of Pt-Co bond induce the decrease of electron filling in the antibonding orbitals of Co element.The resulting upward shift of the d-band center of Co combined with the characteristic adsorption of Pt species synergically enhances the enrichment and activation of organic molecules and OH species,thus exhibiting excellent HMF oxidation activity(including a lower onset potential(1.14 V)and 19 times higher current density than pure Co_(3)O_(4)at 1.35 V).In summary,this work explores the adsorption enhancement mechanism of metal defect sites modified by precious metal in detail,provides a new option for improving the HMF oxidation activity of cobalt-based materials,broadens the application field of metal defect based materials,and gives an innovative guidance for the functional utilization of metal defect sites in biomass conversion.
基金funded by the Natural Science Foundation of Xinjiang Uygur Autonomous Region:No.22D01B148Bidding Topics for the Center for Integration of Education and Production and Development of New Business in 2024:No.2024-KYJD05+1 种基金Basic Scientific Research Business Fee Project of Colleges and Universities in Autonomous Region:No.XJEDU2025P126Xinjiang College of Science&Technology School-level Scientific Research Fund Project:No.2024-KYTD01.
文摘Wireless Sensor Networks(WSNs),as a crucial component of the Internet of Things(IoT),are widely used in environmental monitoring,industrial control,and security surveillance.However,WSNs still face challenges such as inaccurate node clustering,low energy efficiency,and shortened network lifespan in practical deployments,which significantly limit their large-scale application.To address these issues,this paper proposes an Adaptive Chaotic Ant Colony Optimization algorithm(AC-ACO),aiming to optimize the energy utilization and system lifespan of WSNs.AC-ACO combines the path-planning capability of Ant Colony Optimization(ACO)with the dynamic characteristics of chaotic mapping and introduces an adaptive mechanism to enhance the algorithm’s flexibility and adaptability.By dynamically adjusting the pheromone evaporation factor and heuristic weights,efficient node clustering is achieved.Additionally,a chaotic mapping initialization strategy is employed to enhance population diversity and avoid premature convergence.To validate the algorithm’s performance,this paper compares AC-ACO with clustering methods such as Low-Energy Adaptive Clustering Hierarchy(LEACH),ACO,Particle Swarm Optimization(PSO),and Genetic Algorithm(GA).Simulation results demonstrate that AC-ACO outperforms the compared algorithms in key metrics such as energy consumption optimization,network lifetime extension,and communication delay reduction,providing an efficient solution for improving energy efficiency and ensuring long-term stable operation of wireless sensor networks.
基金supported by the Scientific Research and Technology Development Project of China National Petroleum Corporation(Grant Nos.2024ZG50,2022DQ03-03)the National Natural Science Foundation of China(Grant Nos.52372252)the Science and Technology Innovation Program of Hunan Province(Grant Nos.2024RC1022).
文摘Dendrite growth represents one of the most significant challenges that impede the development of aqueous zinc-ion batteries.Herein,Gd^(3+)ions are introduced into conventional electrolytes as a microlevelling agent to achieve dendrite-free zinc electrodeposition.Simulation and experimental results demonstrate that these Gd^(3+)ions are preferentially adsorbed onto the zinc surface,which enables dendritefree zinc anodes by activating the microlevelling effect during electrodeposition.In addition,the Gd^(3+)additives effectively inhibit side reactions and facilitate the desolvation of[Zn(H_(2)O)_(6)]^(2+),leading to highly reversible zinc plating/stripping.Due to these improvements,the zinc anode demonstrates a significantly prolonged cycle life of 2100 h and achieves an exceptional average Coulombic efficiency of 99.72%over 1400 cycles.More importantly,the Zn//NH_(4)V_(4)O_(10)full cell shows a high capacity retention rate of 85.6%after 1000 cycles.This work not only broadens the application of metallic cations in battery electrolytes but also provides fundamental insights into their working mechanisms.
