期刊文献+
共找到529,910篇文章
< 1 2 250 >
每页显示 20 50 100
Some Construction Methods of Optimum Chemical Balance Weighing Designs III
1
作者 Rashmi Awad Shakti Banerjee 《Open Journal of Statistics》 2016年第1期37-48,共12页
Methods of constructing the optimum chemical balance weighing designs from symmetric balanced incomplete block designs are proposed with illustration. As a by-product pairwise efficiency and variance balanced designs ... Methods of constructing the optimum chemical balance weighing designs from symmetric balanced incomplete block designs are proposed with illustration. As a by-product pairwise efficiency and variance balanced designs are also obtained. 展开更多
关键词 Balanced Incomplete Block design Symmetric Balanced Incomplete Block design Ternary Balanced Block design Variance Balanced design Efficiency Balanced design Nested Balanced Incomplete Block design Weighing design Chemical Balance Weighing design Optimum Chemical Balance Weighing design
在线阅读 下载PDF
Progress in MOF-based catalyst design and reaction mechanisms for CO_(2)hydrogenation to methanol
2
作者 YU Zhifu JIANG Lei WU Mingbo 《燃料化学学报(中英文)》 北大核心 2026年第1期146-162,共17页
Against the backdrop of escalating global climate change and energy crises,the resource utilization of carbon dioxide(CO_(2)),a major greenhouse gas,has become a crucial pathway for achieving carbon peaking and carbon... Against the backdrop of escalating global climate change and energy crises,the resource utilization of carbon dioxide(CO_(2)),a major greenhouse gas,has become a crucial pathway for achieving carbon peaking and carbon neutrality goals.The hydrogenation of CO_(2)to methanol not only enables carbon sequestration and recycling,but also provides a route to produce high value-added fuels and basic chemical feedstocks,holding significant environmental and economic potential.However,this conversion process is thermodynamically and kinetically limited,and traditional catalyst systems(e.g.,Cu/ZnO/Al_(2)O_(3))exhibit inadequate activity,selectivity,and stability under mild conditions.Therefore,the development of novel high-performance catalysts with precisely tunable structures and functionalities is imperative.Metal-organic frameworks(MOFs),as crystalline porous materials with high surface area,tunable pore structures,and diverse metal-ligand compositions,have the great potential in CO_(2)hydrogenation catalysis.Their structural design flexibility allows for the construction of well-dispersed active sites,tailored electronic environments,and enhanced metal-support interactions.This review systematically summarizes the recent advances in MOF-based and MOF-derived catalysts for CO_(2)hydrogenation to methanol,focusing on four design strategies:(1)spatial confinement and in situ construction,(2)defect engineering and ion-exchange,(3)bimetallic synergy and hybrid structure design,and(4)MOF-derived nanomaterial synthesis.These approaches significantly improve CO_(2)conversion and methanol selectivity by optimizing metal dispersion,interfacial structures,and reaction pathways.The reaction mechanism is further explored by focusing on the three main reaction pathways:the formate pathway(HCOO*),the RWGS(Reverse Water Gas Shift reaction)+CO*hydrogenation pathway,and the trans-COOH pathway.In situ spectroscopic studies and density functional theory(DFT)calculations elucidate the formation and transformation of key intermediates,as well as the roles of active sites,metal-support interfaces,oxygen vacancies,and promoters.Additionally,representative catalytic performance data for MOFbased systems are compiled and compared,demonstrating their advantages over traditional catalysts in terms of CO_(2)conversion,methanol selectivity,and space-time yield.Future perspectives for MOF-based CO_(2)hydrogenation catalysts will prioritize two main directions:structural design and mechanistic understanding.The precise construction of active sites through multi-metallic synergy,defect engineering,and interfacial electronic modulation should be made to enhance catalyst selectivity and stability.In addition,advanced in situ characterization techniques combined with theoretical modeling are essential to unravel the detailed reaction mechanisms and intermediate behaviors,thereby guiding rational catalyst design.Moreover,to enable industrial application,challenges related to thermal/hydrothermal stability,catalyst recyclability,and cost-effective large-scale synthesis must be addressed.The development of green,scalable preparation methods and the integration of MOF catalysts into practical reaction systems(e.g.,flow reactors)will be crucial for bridging the gap between laboratory research and commercial deployment.Ultimately,multi-scale structure-performance optimization and catalytic system integration will be vital for accelerating the industrialization of MOF-based CO_(2)-to-methanol technologies. 展开更多
关键词 CO_(2)hydrogenation metal-organic frameworks(MOFs) catalyst design reaction mechanism METHANOL
在线阅读 下载PDF
Advanced Design for High-Performance and AI Chips
3
作者 Ying Cao Yuejiao Chen +2 位作者 Xi Fan Hong Fu Bingang Xu 《Nano-Micro Letters》 2026年第1期306-336,共31页
Recent years have witnessed transformative changes brought about by artificial intelligence(AI)techniques with billions of parameters for the realization of high accuracy,proposing high demand for the advanced and AI ... Recent years have witnessed transformative changes brought about by artificial intelligence(AI)techniques with billions of parameters for the realization of high accuracy,proposing high demand for the advanced and AI chip to solve these AI tasks efficiently and powerfully.Rapid progress has been made in the field of advanced chips recently,such as the development of photonic computing,the advancement of the quantum processors,the boost of the biomimetic chips,and so on.Designs tactics of the advanced chips can be conducted with elaborated consideration of materials,algorithms,models,architectures,and so on.Though a few reviews present the development of the chips from their unique aspects,reviews in the view of the latest design for advanced and AI chips are few.Here,the newest development is systematically reviewed in the field of advanced chips.First,background and mechanisms are summarized,and subsequently most important considerations for co-design of the software and hardware are illustrated.Next,strategies are summed up to obtain advanced and AI chips with high excellent performance by taking the important information processing steps into consideration,after which the design thought for the advanced chips in the future is proposed.Finally,some perspectives are put forward. 展开更多
关键词 Artificial intelligence Advanced chips AI chips design tactics Review and perspective
在线阅读 下载PDF
Artificial Intelligence in Nanophotonics:From Design to Optical Computing
4
作者 Yongqiang Hu Jingmin Huang +14 位作者 Junyi Li Yu Sui Jiarui Zhang Tao Zheng Wenxiao Wang Chengyi Zhu Qianyi Guo Lihua Li Xilin Zhang Nihong Chen Juan Chen Yitong Chen Xiaorui Zheng Zhongmin Yang Jiewei Chen 《Chinese Physics Letters》 2025年第8期333-353,共21页
The bidirectional convergence of artificial intelligence and nanophotonics drives photonic technologies toward unprecedented levels of intelligence and efficiency,fundamentally reshaping their design paradigms and app... The bidirectional convergence of artificial intelligence and nanophotonics drives photonic technologies toward unprecedented levels of intelligence and efficiency,fundamentally reshaping their design paradigms and application boundaries.With its powerful data-driven and nonlinear optimization capabilities,artificial intelligence has become a powerful tool for optical design,enabling the inverse design of nanophotonics devices while accelerating the forward computation of electromagnetic responses.Conversely,nanophotonics provides a wave-based computational platform,giving rise to novel optical neural networks that achieve high-speed parallel computing and efficient information processing.This paper reviews the latest progress in the bidirectional field of artificial intelligence and nanophotonics,analyzes the basic principles of various applications from a universal perspective,comprehensively evaluates the advantages and limitations of different research methods,and makes a forwardlooking outlook on the bidirectional integration of artificial intelligence and nanophotonics,focusing on analyzing future development trends,potential applications,and challenges.The deep integration of artificial intelligence and nanophotonics is ushering in a new era for photonic technologies,offering unparalleled opportunities for fundamental research and industrial applications. 展开更多
关键词 optical designenabling inverse design nanophotonics devices NANOPHOTONICS photonic technologies optical design artificial intelligence design paradigms
原文传递
A Design Philosophy From the View of Creation:Design vs.Research
5
作者 Fred Y.Ye 《Journal of Philosophy Study》 2021年第12期942-948,共7页
Mankind holds creation as a special human property contributing knowledge and culture.Both design and research belong to creative activities.While research focuses on new findings following the rule of truth,design pa... Mankind holds creation as a special human property contributing knowledge and culture.Both design and research belong to creative activities.While research focuses on new findings following the rule of truth,design pays more attention to new designed works following the rule of beauty.Three philosophical principles for design are suggested as ABC principles:A.Design approaches beauty;B.Design balances science and art;C.Design concerns culture.Three types of design are practically discussed,including 2D art or symbol design,3D engineering or product design,and nD program or form design. 展开更多
关键词 RESEARCH design 2D design 3D design art design engineering design hard design soft design CREATION
在线阅读 下载PDF
Textile design statements with‘among-us’:Heimtextil meets Milan Design Week
6
《China Textile》 2025年第2期50-51,共2页
Frankfurt am Main,7 April 2o25.Textile interior design at its best is an inte-gral part of Heimtextil,the most inftuentiailand giobai platform for home and contracttextiles as well as textile design.PatriciaUrquiola e... Frankfurt am Main,7 April 2o25.Textile interior design at its best is an inte-gral part of Heimtextil,the most inftuentiailand giobai platform for home and contracttextiles as well as textile design.PatriciaUrquiola expressed this spectacularly inJaruary in Frankfuirt with her installation'among-us'. 展开更多
关键词 interior design giobai platform textile design Frankfurt am Main Us HEIMTEXTIL Milan design Week Patricia Urquiola
在线阅读 下载PDF
Strength-based concurrent design for structural topology and building orientation of additively manufactured lattice structure
7
作者 Chenyang LI Yamin LI +3 位作者 Shangqin YUAN Shaoying LI Jihong ZHU Weihong ZHANG 《Chinese Journal of Aeronautics》 2025年第9期540-558,共19页
A novel Additive Manufacturing(AM)-driven concurrent design strategy based on the beam characterization model considering strength constraints is proposed.The lattice topology,radius size,Building Orientation(BO),and ... A novel Additive Manufacturing(AM)-driven concurrent design strategy based on the beam characterization model considering strength constraints is proposed.The lattice topology,radius size,Building Orientation(BO),and structural yield strength can be simultaneously adjusted by integrating the overall process-structure-performance relationship of the AM process into the optimization.Specifically,the transverse isotropic material model is adopted to describe the material properties induced by the layer-by-layer manner of additive manufacturing.To bolster lattice strength performance,the stress constraints and ratio constraints of lattice struts are employed.The Tsai-Wu yield criterion is implemented to characterize the lattice strut's strength,while the P-norm method streamlines the handling of multiple constraints,minimizing computational overhead.Moreover,the gradient-based optimization model is established,where both the individual struts diameters and BO can be designed,and the buckling-prone spatial struts are strategically eliminated to improve the lattice strength further.Furthermore,several typical structures are optimized to verify the effectiveness of the proposed method.The optimized results are quite encouraging since the heterogeneous lattice structures with optimized BO obtained by the strength-based concurrent method show a remarkably improved performance compared to traditional designs. 展开更多
关键词 Strength-based design AM-driven design Concurrent design Building orientation Additive manufacturing
原文传递
AI-driven design:powered by large language model and intelligent computation
8
作者 Guodong Sa Zhinan Li +1 位作者 Zhenyu Liu Jianrong Tan 《International Journal of Extreme Manufacturing》 2025年第6期364-374,共11页
To meet the extreme precision requirements of nanometer-scale semiconductor manufacturing and micrometer-level aerospace component processing,the complexity of precision manufacturing equipment design has exceeded the... To meet the extreme precision requirements of nanometer-scale semiconductor manufacturing and micrometer-level aerospace component processing,the complexity of precision manufacturing equipment design has exceeded the capabilities of traditional design methodologies.Conventional experience-driven design approaches exhibit fundamental limitations when confronting high-dimensional parameter spaces,complex multidisciplinary coupling effects,and dynamic performance prediction requirements,rendering trial-and-error iterative optimization processes inefficient and incapable of achieving optimal solutions.Intelligent design offers new pathways to overcome these limitations through the integration of artificial intelligence(AI)with traditional engineering workflows.However,the transition from theoretical concepts to manufacturing practice encounters three critical technical bottlenecks:the sparsity and heterogeneity of design data constrain the development of domain-specific large models,hallucination phenomena in generative design compromise solution trustworthiness,and numerical simulation methods face fundamental trade-offs between computational accuracy and efficiency.This paper conducts comprehensive analysis of the underlying causes of these challenges and proposes a knowledge-generation-simulation integrated intelligent design ecosystem as a development pathway.This approach achieves deep integration of large models with manufacturing domain knowledge,seamless fusion of AI with Computer-Aided Design/Computer-Aided Engineering(CAD/CAE)systems,and comprehensive synthesis of physics-based mechanisms with data-driven methods,driving the evolution of intelligent design from human-dominated iterative processes toward autonomous collaborative innovation systems,thereby providing robust support for technological breakthroughs in precision and extreme manufacturing equipment while facilitating the intelligent transformation of the manufacturing industry. 展开更多
关键词 intelligent design manufacturing-driven design artificial intelligence generative design physics-informed modeling
在线阅读 下载PDF
Contextual design and real-time verification for agile casting design
9
作者 Dong Xiang Chu-hao Zhou +3 位作者 Xuan-pu Dong Shu-ren Guo Yan-song Ding Hua-tang Cao 《China Foundry》 2025年第2期231-238,共8页
In the foundry industries,process design has traditionally relied on manuals and complex theoretical calculations.With the advent of 3D design in casting,computer-aided design(CAD)has been applied to integrate the fea... In the foundry industries,process design has traditionally relied on manuals and complex theoretical calculations.With the advent of 3D design in casting,computer-aided design(CAD)has been applied to integrate the features of casting process,thereby expanding the scope of design options.These technologies use parametric model design techniques for rapid component creation and use databases to access standard process parameters and design specifications.However,3D models are currently still created through inputting or calling parameters,which requires numerous verifications through calculations to ensure the design rationality.This process may be significantly slowed down due to repetitive modifications and extended design time.As a result,there are increasingly urgent demands for a real-time verification mechanism to address this issue.Therefore,this study proposed a novel closed-loop model and software development method that integrated contextual design with real-time verification,dynamically verifying relevant rules for designing 3D casting components.Additionally,the study analyzed three typical closed-loop scenarios of agile design in an independent developed intelligent casting process system.It is believed that foundry industries can potentially benefit from favorably reduced design cycles to yield an enhanced competitive product market. 展开更多
关键词 agile design context-design casting process design real-time verification smart manufacturing
在线阅读 下载PDF
Design Guidelines for Composition of Brazing Filler Metals and Evolution Mechanisms of Typical Microstructures 被引量:6
10
作者 Long Weimin 《稀有金属材料与工程》 北大核心 2025年第4期837-853,共17页
Brazing filler metals are widely applied,which serve as an industrial adhesive in the joining of dissimilar structures.With the continuous emergence of new structures and materials,the demand for novel brazing filler ... Brazing filler metals are widely applied,which serve as an industrial adhesive in the joining of dissimilar structures.With the continuous emergence of new structures and materials,the demand for novel brazing filler metals is ever-increasing.It is of great significance to investigate the optimized composition design methods and to establish systematic design guidelines for brazing filler metals.This study elucidated the fundamental rules for the composition design of brazing filler metals from a three-dimensional perspective encompassing the basic properties of applied brazing filler metals,formability and processability,and overall cost.The basic properties of brazing filler metals refer to their mechanical properties,physicochemical properties,electromagnetic properties,corrosion resistance,and the wettability and fluidity during brazing.The formability and processability of brazing filler metals include the processes of smelting and casting,extrusion,rolling,drawing and ring-making,as well as the processes of granulation,powder production,and the molding of amorphous and microcrystalline structures.The cost of brazing filler metals corresponds to the sum of materials value and manufacturing cost.Improving the comprehensive properties of brazing filler metals requires a comprehensive and systematic consideration of design indicators.Highlighting the unique characteristics of brazing filler metals should focus on relevant technical indicators.Binary or ternary eutectic structures can effectively enhance the flow spreading ability of brazing filler metals,and solid solution structures contribute to the formability.By employing the proposed design guidelines,typical Ag based,Cu based,Zn based brazing filler metals,and Sn based solders were designed and successfully applied in major scientific and engineering projects. 展开更多
关键词 design of brazing filler metals design guidelines for composition Ag based brazing filler metals eutectic structures evolution
原文传递
A Notation to Support Exploring Collaboration in Design Teams
11
作者 Gil Garcia de Barros Luiz Gustavo Bertocchi Alves da Silva 《Journal of Civil Engineering and Architecture》 2020年第12期644-657,共14页
Collaboration in large projects is a major challenge for contemporary architectural practice and this paper presents a notation for describing and analyzing how these collaborations can take place.Based on an extensiv... Collaboration in large projects is a major challenge for contemporary architectural practice and this paper presents a notation for describing and analyzing how these collaborations can take place.Based on an extensive literature review some opportunities were found for the development of a notation that combined three particular aspects:network diagrams,Euler diagrams and a model from architectural design.An exploratory case study was conducted based on the collaboration during a complex architectural project,which combined three approaches:document analysis,semi-structured interviews with key stakeholders and a comparison of the documents with results from the interviews.The notation demonstrated to be suitable for two purposes:to improve the understanding of particular design events and as support material for presenting and exploring collaborations.Results indicate that the notation was suitable,comprehensible and flexible,and it demonstrated good value when used in speculative ways,such as an intermediary design artifact that supports discussion and improvements in the collaboration process,which indicates promising future directions.It can also be argued that,similar to a sketch,the notation can also support the process of planning and“designing”the interaction between teams in design fields and even in other project-based organizations. 展开更多
关键词 Architectural design collaboration in design design methods design artifacts design cognition design tools visualization techniques
在线阅读 下载PDF
中学物理跨学科实践Design模型的建构与案例研究 被引量:1
12
作者 张跃 崔琰 《中学物理》 2025年第10期14-17,共4页
基于中学物理跨学科实践视角,构建了跨学科实践设计模型(Design模型).该设计模型由发现问题(Discovery)、探究实践(Experiment)、问题解决(Solution)、迭代发展(Iteration)、目标导向(Goal)和作品生成(New)6个环节构成,聚焦学生的主体性... 基于中学物理跨学科实践视角,构建了跨学科实践设计模型(Design模型).该设计模型由发现问题(Discovery)、探究实践(Experiment)、问题解决(Solution)、迭代发展(Iteration)、目标导向(Goal)和作品生成(New)6个环节构成,聚焦学生的主体性,发展学生问题解决能力和创新能力.分析了模型的理论基础和内涵,并以跨学科实践案例展示了Design模型在促进学生主动学习、概念理解、问题解决和创新能力提升等方面的应用效果,为中学物理教师提供理论与实践相结合的教学策略参考. 展开更多
关键词 中学物理 design模型 跨学科实践 教学策略
在线阅读 下载PDF
Design Discussion of a Wireless Fire Alarm System Based on Data Fusion Technology 被引量:1
13
作者 Qun Wu Jinyang Wu 《Journal of Electronic Research and Application》 2025年第2期58-64,共7页
This article explores the design of a wireless fire alarm system supported by advanced data fusion technology.It includes discussions on the basic design ideas of the wireless fire alarm system,hardware design analysi... This article explores the design of a wireless fire alarm system supported by advanced data fusion technology.It includes discussions on the basic design ideas of the wireless fire alarm system,hardware design analysis,software design analysis,and simulation analysis,all supported by data fusion technology.Hopefully,this analysis can provide some reference for the rational application of data fusion technology to meet the actual design and application requirements of the system. 展开更多
关键词 Data fusion technology Fire alarm system Wireless alarm Hardware design Software design
在线阅读 下载PDF
工艺美术语境下“图案(design)”观念的演变及影响
14
作者 朱永明 《苏州科技大学学报(社会科学版)》 2025年第6期73-81,110,共10页
清末民初,在工程图画、实用工艺与美术教育的推进下,兼具应用性与观赏性的“图案(design)”观念被引入我国,并与中国设计传统深度融合,逐渐形成实用、装饰与形式审美的艺术设计定位,成为我国近现代工艺美术体系的核心价值。“图案(desi... 清末民初,在工程图画、实用工艺与美术教育的推进下,兼具应用性与观赏性的“图案(design)”观念被引入我国,并与中国设计传统深度融合,逐渐形成实用、装饰与形式审美的艺术设计定位,成为我国近现代工艺美术体系的核心价值。“图案(design)”观念不仅奠定了我国现代设计发展的基础,也形塑了近百年中国化设计实践的内在逻辑与路径。但由于自身发展中的局限,改革开放后又受到工业化市场、媒体传播发展的强劲冲击,未能适应信息化时代设计发展需求,“图案(design)”从曾经的“工艺(设计)之母”逐渐沉淀为具体专业领域的术语。其独特的发展历程、观念演变与时代际遇,对我国现代设计体系构建影响深远,也为我国当代设计的主体性建构和未来发展提供了宝贵经验与启示。 展开更多
关键词 “图案(design)” 工艺美术 图画 设计观念
在线阅读 下载PDF
Neural Codes Constructs Based on Combinatorial Design
15
作者 Jin Huang 《Applied Mathematics》 2025年第1期42-60,共19页
Neuroscience (also known as neurobiology) is a science that studies the structure, function, development, pharmacology and pathology of the nervous system. In recent years, C. Cotardo has introduced coding theory into... Neuroscience (also known as neurobiology) is a science that studies the structure, function, development, pharmacology and pathology of the nervous system. In recent years, C. Cotardo has introduced coding theory into neuroscience, proposing the concept of combinatorial neural codes. And it was further studied in depth using algebraic methods by C. Curto. In this paper, we construct a class of combinatorial neural codes with special properties based on classical combinatorial structures such as orthogonal Latin rectangle, disjoint Steiner systems, groupable designs and transversal designs. These neural codes have significant weight distribution properties and large minimum distances, and are thus valuable for potential applications in information representation and neuroscience. This study provides new ideas for the construction method and property analysis of combinatorial neural codes, and enriches the study of algebraic coding theory. 展开更多
关键词 Combinatorial Neural Codes Orthogonal Latin Rectangle Steiner System Group Divisible design Transversal design
在线阅读 下载PDF
The Labubu E#ect Chinese designer toys are sparking a global craze with bold designs and cultural flair
16
作者 XU YING 《ChinAfrica》 2025年第11期56-57,共2页
Labubu has become a global star,from Paris and New York to London and Milan.These charming figurines from Chinese toy manufacturer Pop Mart,with their soft fur,expressive eyes,pointed teeth and rabbit ears,have captiv... Labubu has become a global star,from Paris and New York to London and Milan.These charming figurines from Chinese toy manufacturer Pop Mart,with their soft fur,expressive eyes,pointed teeth and rabbit ears,have captivated buyers both in shops and online. 展开更多
关键词 Chinese designer toys soft fur expressive eyes global craze cultural flair figurines labubu bold designs
原文传递
Designing Temporary Installations beneath Toronto’s Gardiner Expressway to Enhance Thermal Comfort during Shoulder Seasons
17
作者 Niloufar Mohsenivafa Afshin Ashari Nadia Amoroso 《Journal of Environmental Science and Engineering(B)》 2025年第3期103-122,共20页
Urban underutilized spaces,often the secondary by-products of large infrastructure projects,are often overlooked,despite their potential to enhance city life.With meaningful design interventions,these neglected areas ... Urban underutilized spaces,often the secondary by-products of large infrastructure projects,are often overlooked,despite their potential to enhance city life.With meaningful design interventions,these neglected areas can be transformed into inclusive public environments that offer social,environmental,and cultural value.This research investigates how modular,temporary installations beneath Toronto’s Gardiner Expressway,in Canada,can enhance thermal comfort and foster community engagement during the shoulder seasons.Using a multi-step methodology,including literature review,thermal comfort guidelines,site-specific climate analysis,and precedent studies,the research identifies key design strategies tailored to the unique microclimatic and social conditions of under-bridge spaces.The study culminates in the proposal of a flexible system of movable panels that provide wind protection,solar control,and opportunities for gathering,interaction,and rest.By reimagining these unnoticed infrastructure zones as adaptable,climate-responsive public spaces,this research contributes to sustainable urban design and highlights the importance of design strategies that address the challenges of a warming and increasingly variable climate. 展开更多
关键词 Thermal comfort under bridge public space temporary installation climate adaptation modular design MICROCLIMATE seasonal design
在线阅读 下载PDF
High-throughput and intelligent design of potential GRK2 inhibitor candidates using deep learning and mathematical programming methods
18
作者 Yujing Zhao Qilei Liu +3 位作者 Jian Du Qingwei Meng Liang Sun Lei Zhang 《Chinese Journal of Chemical Engineering》 2025年第8期11-22,共12页
G protein coupled receptor kinase 2 (GRK2) is a kinase that regulates cardiac signaling activity. Inhibiting GRK2 is a promising mechanism for the treatment of heart failure (HF). Further development and optimization ... G protein coupled receptor kinase 2 (GRK2) is a kinase that regulates cardiac signaling activity. Inhibiting GRK2 is a promising mechanism for the treatment of heart failure (HF). Further development and optimization of inhibitors targeting GRK2 are highly meaningful. Therefore, in order to design GRK2 inhibitors with better performance, the most active molecule was selected as a reference compound from a data set containing 4-pyridylhydrazone derivatives and triazole derivatives, and its scaffold was extracted as the initial scaffold. Then, a powerful optimization-based framework for de novo drug design, guided by binding affinity, was used to generate a virtual molecular library targeting GRK2. The binding affinity of each virtual compound in this dataset was predicted by our developed deep learning model, and the designed potential compound with high binding affinity was selected for molecular docking and molecular dynamics simulation. It was found that the designed potential molecule binds to the ATP site of GRK2, which consists of key amino acids including Arg199, Gly200, Phe202, Val205, Lys220, Met274 and Asp335. The scaffold of the molecule is stabilized mainly by H-bonding and hydrophobic contacts. Concurrently, the reference compound in the dataset was also simulated by docking. It was found that this molecule also binds to the ATP site of GRK2. In addition, its scaffold is stabilized mainly by H-bonding and π-cation stacking interactions with Lys220, as well as hydrophobic contacts. The above results show that the designed potential molecule has similar binding modes to the reference compound, supporting the effectiveness of our framework for activity-focused molecular design. Finally, we summarized the interaction characteristics of general GRK2 inhibitors and gained insight into their molecule-target binding mechanisms, thereby facilitating the expansion of lead to hit compound. 展开更多
关键词 Mathematical modeling Optimal design Product design GRK2 Mathematical programmingmethod Binding affinity
暂未订购
Design Strategies for Reconstruction and Expansion of Insufficient Clearance Sections in Highway Interchanges
19
作者 Shuai Li Zhipan Yang Jianchao Xu China 《Journal of World Architecture》 2025年第2期1-7,共7页
Combining practical engineering projects, this article analyzes the design strategies for the reconstruction and expansion of insufficient clearance sections in highway interchanges. This includes an overview of the p... Combining practical engineering projects, this article analyzes the design strategies for the reconstruction and expansion of insufficient clearance sections in highway interchanges. This includes an overview of the project, a comparison of design options for insufficient clearance in interchanges, and the main design strategies for reconstruction and expansion. It is hoped that this analysis can provide a reference for the design of such road reconstruction and expansion projects. 展开更多
关键词 HIGHWAY INTERCHANGE Insufficient clearance Reconstruction and expansion design design scheme
在线阅读 下载PDF
Advances and challenges in drug design against dental caries: Application of in silico approaches
20
作者 Zhongxin Chen Xinyao Zhao +2 位作者 Hanyu Zheng Yufei Wang Linglin Zhang 《Journal of Pharmaceutical Analysis》 2025年第6期1202-1214,共13页
Dental caries,a chronic disease characterized by tooth decay,occupies the second position in terms of disease burden and is primarily caused by cariogenic bacteria,especially Streptococcus mutans,because of its acidog... Dental caries,a chronic disease characterized by tooth decay,occupies the second position in terms of disease burden and is primarily caused by cariogenic bacteria,especially Streptococcus mutans,because of its acidogenic,aciduric,and biofilm-forming capabilities.Developing novel targeted anti-virulence agents is always a focal point in caries control to overcome the limitations of conventional anti-virulence agents.The current study represents an up-to-date review of in silico approaches of drug design against dental caries,which have emerged more and more powerful complementary to biochemical attempts.Firstly,we categorize the in silico approaches into computer-aided drug design(CADD)and AI-assisted drug design(AIDD)and highlight the specific methods and models they contain respectively.Subsequently,we detail the design of anti-virulence drugs targeting single or multiple cariogenic virulence targets of S.mutans,such as glucosyltransferases(Gtfs),antigen I/II(AgI/II),sortase A(SrtA),the VicRK signal transduction system and superoxide dismutases(SODs).Finally,we outline the current opportunities and challenges encountered in this field to aid future endeavors and applications of CADD and AIDD in anti-virulence drug design. 展开更多
关键词 Dental caries Streptococcus mutans Computer-aided drug design AI-Assisted drug design GLUCOSYLTRANSFERASES Antigen I/II Sortase A
暂未订购
上一页 1 2 250 下一页 到第
使用帮助 返回顶部