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中国式现代化背景下浙江水利现代化先行路径研究

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浙江水利科技 2024年第4期52卷 53-55,61页

作者：夏益杰刘志伟浙江省钱塘江流域中心浙江杭州310000 浙江省水利水电勘测设计院有限责任公司浙江杭州310002

聚焦中国式现代化背景下浙江省水利现代化,探讨先行路径旨在促进人与自然的和谐共生和提升民生福祉。概述浙江水利现代化的发展历史,分析基础设施完善、水利管理优化、法规政策体系完善和人才队伍建设等关键问题,并提出相应的解决策略... 详细信息

聚焦中国式现代化背景下浙江省水利现代化,探讨先行路径旨在促进人与自然的和谐共生和提升民生福祉。概述浙江水利现代化的发展历史,分析基础设施完善、水利管理优化、法规政策体系完善和人才队伍建设等关键问题,并提出相应的解决策略。通过构建先进的基础设施网络、高效的工程管理体系、全面的法规制度和专业的人才队伍,浙江水利有望在新的发展阶段中发挥更加重要的作用。

关键词：中国式现代化浙江水利先行路径管理体系

SPONGE:A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms

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Chinese Journal of Chemistry 2022年第1期40卷 160-168页

作者： Yu-Peng Huang yijie xia Lijiang Yang Jiachen Wei Yi Isaac Yang Yi Qin Gao College of Chemistry and Molecular Engineering Peking UniversityBeijing 100871China Beijing National Laboratory for Molecular Sciences Peking UniversityBeijing 100871China Biomedical Pioneering Innovation Center Peking UniversityBeijing 100871China Beijing Advanced Innovation Center for Genomics Peking UniversityBeijing 100871China State Key Laboratory of Nonlinear Mechanics and Beijing Key Laboratory of Engineered Construction and Mechanobiology Institute of MechanicsChinese Academy of SciencesBeijing 100190China Shenzhen Bay Laboratory Gaoke Innovation CenterGuangqiao RoadGuangming DistrictShenzhenGuangdong 518132China

SPONGE(Simulation Package tOward Next GEneration molecular modeling)is a software package for molecular dynamics(MD)simulation of solution and surface molecular *** this version of SPONGE,the all-atom potential energy functions used in AMBER MD packages are used by default and other all-atom/coarse-grained potential energy functions are also *** is designed to extend the timescale being approached in MD simulations by utilizing the latest CUDA-enabled graphical processing units(GPU)and adopting highly efficient enhanced sampling algorithms,such as integrated tempering,selective integrated tempering and enhanced sampling of reactive *** is highly modular and new algorithms and functions can be incorporated con ***,a specialized Python plugin can be easily used to perform the machine learning MD simulation with MindSpore,TensorFlow,PyTorch or other popular machine learning ***,a plugin of Finite-Element Method(FEM)is also available to handle metallic surface *** these advanced features increase the power of SPONGE for modeling and simulation of complex chemical and biological systems.

关键词： Molecular dynamics Molecular modeling Enhanced sampling Machine learning Computational chemistry

Effect of stereoregularity on excitation-dependent fluorescence and room-temperature phosphorescence of poly(2-vinylpyridine)

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聚集体(英文)

聚集体(英文) 2023年第2期4卷 267-274页

作者： Hongxu Du Wenjing Zhao yijie xia Siyu Xie Yi Tao Yi Qin Gao Jie Zhang Xinhua Wan Beijing National Laboratory for Molecular Sciences Key Laboratory of Polymer Chemistry and Physics of Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijingChina Beijing National Laboratory for Molecular Sciences College of Chemistry and Molecular EngineeringPeking UniversityBeijingChina

Preparation of non-conjugated luminescent polymers(NCLPs)with excellent cluster luminescence(CL)performance is of great significance for scientific and industrious applications,and yet improving the performance of NCLPs through proper structural design is still a huge ***,we report a non-conjugated ionized polymeric system consisting of(−)-camphorsulfonic acid((−)-CSA)and poly(2-vinylpyridine)(P2VP).These acid-base complexes exhibit typical excitationdependent fluorescence and room-temperature phosphorescence(RTP)with a lifetime up to 364 *** discover that changing the stereoregularity from atactic to isotactic significantly improves the CL performance of the ***(1)broadens the fluorescence emission spectra to cover the entire visible region,(2)enhances the fluorescence emission intensity at long wavelength beyond 500 nm,(3)enhances the phosphorescence intensity,and(4)extends the phosphorescence *** experimental characterization and molecular dynamics simulation unravel the key role of stereoregularity in determining the formation of different pyridine aggregates that strongly influence the CL ***,the different luminescence shows great potential in excitation divided information display and time-resolved encrypted *** work not only points to a new direction for developing NCLPs with excellent performance,but also broadens the applications of NCLPs materials.

关键词： cluster luminescence excitation-dependent fluorescence poly(2-vinylpyridine) room-temperature phosphorescence stereoregularity

Sex-biased single-cell genetic landscape in mice with autism spectrum disorder

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Journal of Genetics and Genomics 2024年第3期51卷 338-351页

作者： Qian Zhang Yongjie Wang Jie Tao Ruixue xia yijie Zhang Zhirui Liu Jiwei Cheng Department of Neurology and Central Laboratory Putuo HospitalShanghai University of Traditional Chinese MedicineShanghai 200062China School of Pharmacy Hangzhou Normal UniversityHangzhouZhejiang 311121China Department of Respiratory and Critical Care Medicine Henan University Huaihe HospitalKaifengHenan 475099China

Autistic spectrum disorder(ASD)is a male-biased,heterogeneous neurodevelopmental disorder that affects approximately 1%e2%of the *** exposure to valproic acid(VPA)is a recognized risk factor for ASD,but the cellular and molecular basis of VPA-induced ASD at the single-cell resolution is ***,we aim to compare the cellular and molecular differences in the hippocampus between male and female prenatal mice with ASD at the single-cell transcriptomic *** transcriptomes of more than 45,000 cells are assigned to 12 major cell types,including neurons,glial cells,vascular cells,and immune *** type-specific genes with altered expression after prenatal VPA exposure are analyzed,and the largest number of differentially expressed genes(DEGs)are found in neurons,choroid plexus epithelial cells,and *** microglia,several pathways related to inflammation are found in both males and females,including the tumor necrosis factor(TNF),nuclear factor kappa B(NF-kB),toll-like receptor(TLR),and mitogen-activated protein kinase(MAPK)signaling pathways,which are important for the induction of autistic-like ***,we note that several X-linked genes,including Bex1,Bex3,and Gria3,were among the male-specific DEGs of *** pioneering study describes the landscape of the transcriptome in the hippocampus of autistic *** elucidation of sexual differences could provide innovative strategies for the prevention and treatment of ASD.

关键词： Autistic spectrum disorder(ASD) Sex Single cell Neurons Microglia

High Li^(+)coordinated solvation sheaths enable high-quality Li metal anode

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InfoMat 2023年第5期5卷 40-54页

作者： Shizhi Huang Yu-Peng Huang yijie xia Jingyi Ding Chengyuan Peng Lulu Wang Junrong Luo Xin-xiang Zhang Junrong Zheng Yi Qin Gao Jitao Chen Beijing National Laboratory for Molecular Sciences College of Chemistry and Molecular EngineeringPeking UniversityBeijingthe People's Republic of China

An advance Li-sphere possessing a definitely regular morphology in Li deposition enables a well-defined more robust structure and superior solid-electrolyte interphase(SEI)to achieve high-efficiency long-term cycles in Li metal ***,a new sight of high Li^(+)cluster-like solvation sheaths coordinated in a localized high-concentration NO_(3)^(-)(LH-LiNO_(3))electrolyte fully clarifies for depositing advanced Li ***,we elucidate a critical amorphouscrystalline phase transition in the nanostructure evolution of Li-sphere deposits during the nucleation and ***-sphere anode exhibits ultrastable structural engineering for suppressing Li dendrite growths and rendering ultralong life of 4000 cycles in symmetrical cells at 2 mAcm^(-2).The as-constructed Li spheres/3DCMjLiFePO_(4)(LFP)full cell delivers a high capacity retention of 90.5%at 1 C after 1000 cycles,and a robust dendrite-free structure also stably exists in Li-sphere *** with high-loading LFP cathodes(6.6 and 10.9 mg cm^(-2)),superb capacity retentions are up to 96.5%and 92.5%after 800 cycles at 1 C,***-like solvation sheaths with high Li^(+)coordination exert significant influence on depositing a highquality Li-sphere anode.

关键词： advanced Li-sphere deposition high-quality cycling stability high Li^(+)coordinated solvation sheaths localized high concentration NO3- ultra-stable structural engineering

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给体/受体比对聚合物太阳电池的影响

太阳能学报 2021年第12期42卷 492-497页

作者：夏亿劼戴书阳张婕上海理工大学机械工程学院上海200093 新加坡材料研究与工程研究院(IMRE) 新加坡138634 江南大学机械工程学院无锡214122

以PTB7:PCBM材料体系为研究对象,应用Photo-CELIV技术来了解给体/受体比率对器件性能的影响。研究发现同一半导体材料体系的电荷迁移率和复合速率随材料配比的不同而变化。PTB7∶PCBM体系的最佳给体/受体比为1∶1.5,功率转换效率最高可... 详细信息

以PTB7:PCBM材料体系为研究对象,应用Photo-CELIV技术来了解给体/受体比率对器件性能的影响。研究发现同一半导体材料体系的电荷迁移率和复合速率随材料配比的不同而变化。PTB7∶PCBM体系的最佳给体/受体比为1∶1.5,功率转换效率最高可达到7.1%。最佳配比的共混物具有较高的电荷迁移率和较低的复合速率。原子力显微镜图像证实,在优化的混合半导体薄膜中,均匀的相分离有利于提高填充因子,从而提高效率。

关键词：聚合物太阳电池载流子迁移率载流子传输给体/受体比 Photo-CELIV技术

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新疆自来水中氢氧稳定同位素时空变化

干旱区研究 2022年第3期39卷 810-819页

作者：夏怡洁王圣杰张明军西北师范大学地理与环境科学学院甘肃兰州730070 甘肃省绿洲资源环境与可持续发展重点实验室甘肃兰州730070

氢氧稳定同位素是描述水循环过程的天然示踪剂,自来水是重要的生活用水,研究自来水中氢氧稳定同位素的变化特征有助于示踪城乡居民用水来源,为合理规划水资源调配提供参考。基于新疆352个自来水样品,对氢氧稳定同位素以及氘盈余(d=δ^(2... 详细信息

氢氧稳定同位素是描述水循环过程的天然示踪剂,自来水是重要的生活用水,研究自来水中氢氧稳定同位素的变化特征有助于示踪城乡居民用水来源,为合理规划水资源调配提供参考。基于新疆352个自来水样品,对氢氧稳定同位素以及氘盈余(d=δ^(2)H-8δ^(18)O)的时空分布进行分析。结果表明:(1)新疆自来水水线为δ^(2)H=7.67δ^(18)O+10.54(R^(2)=0.92),δ^(2)H月均值的变化范围为-105.57‰~-37.82‰,δ^(18)O的月均值在-14.48‰~-6.67‰之间,d的月均值在1.89‰~24.38‰之间波动。(2)北疆和南疆的氢氧稳定同位素及氘盈余都存在季节变化,并且南疆的季节差异比北疆大。(3)利用BW模型对新疆自来水中氢氧稳定同位素的空间分布进行模拟,发现南疆氢氧稳定同位素值普遍高于北疆的同位素值,并且山区同位素值低于盆地的同位素值。

关键词：自来水氢氧同位素氘盈余时空分布新疆

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有机材料激子发光的温度特性

光学学报 2006年第4期26卷 585-590页

作者：钟高余林剑王美良夏亿劼尹琨黄维复旦大学先进材料研究院上海200433

基于实验和理论模拟研究了12～320K温度范围内八羟基喹啉铝[tris-（8-hydroxyquinoline）aluminum，Alq]和一种高效红光染料甲基-2-叔丁基-6-（1，1，7，7-四甲基久咯呢定基-9-烯基）-4H-1吡喃[4-（dicyanomethylene）-2-t-butyl-6（1，1，7，7-tetramethyljulolidyl-9-enyl）-4H-pyran，DCJTB]的光致发光（photoluminescence，PL）随温度的变化，提出三种不同电荷分离程度的激子参与的Alq的稳态光致发光过程，通过拟合参量得到了三种激子的能量差值和辐射复合几率之比，观察并解释了DCJTB发光光谱从200K以下到室温的升温过程中发生的蓝移。认为变温光致发光有可能用于评估材料的发光和导电性能，比较并讨论了有机和无机发光材料激子发光的温度特性，认为低温下小分子发光材料倾向于分子态，随温度升高逐渐向半导体态转变，Alq在150～190K之间开始发生这种转变，而DCJTB则从300-320K开始。

关键词：发光学有机半导体变温光致发光激子

ITO纳米晶-植物纤维复合材料的电阻式压力传感器

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中国科学:材料科学(英文版) 2023年第10期66卷 3922-3930页

作者：夏亿劼黄鹏举林心铭吴鲁超李珂高晨溟钟高余 School of Mechanical Engineering University of Shanghai for Science and TechnologyShanghai 200093China Department of Materials Science Fudan UniversityShanghai 200433China

可穿戴电子设备因其在机器人触觉、人机交互和脉搏测试等领域具有潜在应用而引起广泛关注.作为一种可穿戴电子设备,柔性压力传感器应该是环保的,而且制造成本低.基于纤维素纸的压力传感器由于其优良的特性,如轻质、无毒或低毒、可降解... 详细信息

可穿戴电子设备因其在机器人触觉、人机交互和脉搏测试等领域具有潜在应用而引起广泛关注.作为一种可穿戴电子设备,柔性压力传感器应该是环保的,而且制造成本低.基于纤维素纸的压力传感器由于其优良的特性,如轻质、无毒或低毒、可降解性和柔韧性,而引起了人们的关注.在此,我们报道了一种基于铟锡氧化物(ITO)纳米晶体和植物纤维复合材料的电阻式触觉传感器.该压力传感器具有宽的检测范围(0-100 kPa)、高灵敏度(464.88 kPa^(-1))、快速的响应时间(6.93 ms)和恢复时间(7.18 ms)以及良好的加载/卸载稳定性.我们还展示了该压力传感器用于脉搏测试、呼吸监测、语音识别等各种人体运动检测.结果表明,ITO纳米晶-植物纤维复合材料压力传感器在智能可穿戴电子产品中显示出巨大应用潜力.

关键词： pressure sensors piezoresistance nanocrystalline composite