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Rational surface charge engineering of haloalkane dehalogenase for boosting the enzymatic performance in organic solvent solutions

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Chinese Journal of Chemical Engineering 2024年第1期65卷 276-285页

作者： yin Wu Yan Sun Department of Biochemical Engineering School of Chemical Engineering and Technology and Key Laboratory of Systems Bioengineering and Frontiers Science Center for Synthetic Biology(Ministry of Education)Tianjin UniversityTianjin 300350China

Biocatalysis in organic solvents(OSs)has numerous important applications,but native enzymes in OSs often exhibit limited catalytic ***,we proposed a computation-aided surface charge engineering strategy to improve the catalytic performance of haloalkane dehalogenase DhaA in OSs based on the energetic analysis of substrate binding to the DhaA *** variants with enhanced OS resistance were obtained by replacing negative charged residues on the surface with positive charged residue(Arg).Particularly,a four-substitution variant E16R/E93R/E121R/E257R exhibited the best catalytic performance(five-fold improvement in OS resistance and seven-fold half-life increase in 40%(vol)dimethylsulfoxide).As a result,the overall catalytic performance of the variant could be at least 26 times higher than the wild-type *** spectroscopy and molecular dynamics simulation studies revealed that the residue substitution mainly enhanced OS resistance from four aspects:(a)improved the overall structural stability,(b)increased the hydrophobicity of the local microenvironment around the catalytic triad,(c)enriched the hydrophobic substrate around the enzyme molecule,and(d)lowered the contact frequency between OS molecules and the catalytic *** findings validate that computationaided surface charge engineering is an effective and ingenious rational strategy for tailoring enzyme performance in OSs.

关键词： Surface charge engineering Organic solvent resistance Molecular dynamics simulation Haloalkane dehalogenase

A generalized presentation of multi-caloric effects based on exterior derivative theory and its applications

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Communications in Theoretical Physics 2024年第8期76卷 156-163页

作者： Jun yin School of Materials Science and Engineering Nankai UniversityTianjin 300350China School of Mechanical Engineering and Automation Fuzhou UniversityFuzhou 350108China

The emerging concept of multi-caloric effects, introduced in 2010, entails the application of multiple interplay fields to a thermodynamic system. While multi-caloric effects are the main focus of experimental endeavors, theoretical considerations fall short of providing a thorough understanding. This paper introduces a comprehensive presentation on multi-caloric effects,employing the method and theory of exterior derivative formations. It addresses every aspect of thermodynamic systems, showcasing its applicability to multi-caloric materials(both singlephase and multi-phase materials), and its adaptability to different scenarios(either in single or multiple force fields). The formulation of Maxwell relationships, characterized by their generality and universality, enables a clear prediction in entropy and temperature, facilitating a distinct identification between independent and interdependent contributions from multi-caloric effects. These insights hold significant importance in designing and developing specialized thermodynamic materials, optimizing functional performances and exploring innovative mechanisms.

关键词： multicaloric effects Maxwell relations isothermal entropy adiabatic temperature

In-situ coating and surface partial protonation co-promoting performance of single-crystal nickel-rich cathode in all-solid-state batteries

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Journal of Energy Chemistry 2024年第2期89卷 137-143,I0005页

作者： Maoyi Yi Jie Li Mengran Wang Xinming Fan Bo Hong Zhian Zhang Aonan Wang yanqing Lai School of Metallurgy and Environment Central South UniversityChangsha 410083HunanChina Engineering Research Centre of Advanced Battery Materials The Ministry of EducationChangsha 410083HunanChina Hunan Province Key Laboratory of Nonferrous Value-Added Metallurgy Central South UniversityChangsha 410083HunanChina

The poor electrochemical performance of all-solid-state batteries(ASSBs),which is assemblied by Ni-rich cathode and poly(ethylene oxide)(PEO)-based electrolytes,can be attributed to unstable cathodic interface and poor crystal structure stability of Ni-rich *** coating strategies are previously employed to enhance the stability of the cathodic interface and crystal structure for Ni-rich ***,these methods can hardly achieve simplicity and high efficiency *** this work,polyacrylic acid(PAA)replaced traditional PVDF as a binder for cathode,which can achieve a uniform PAA-Li(LixPAA(0

关键词： Single-crystal LiNi_(0.83)Co_(0.12)Mn_(0.05)O_(2) In-situ coating PAA-Li Partial protonation

Seeing at a distance with multicore fibers

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Opto-Electronic Advances 2024年第7期7卷 39-49页

作者： Haogong Feng Xi Chen Runze Zhu Yifeng Xiong Ye Chen yanqing Lu Fei Xu National Laboratory of Solid State Microstructures College of Engineering and Applied Sciencesand Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China College of Physics MIIT Key Laboratory of Aerospace Information Materials and PhysicsState Key Laboratory of Mechanics and Control for Aerospace StructuresNanjing University of Aeronautics and AstronauticsNanjing 211106China

Images and videos provide a wealth of information for people in production and *** most digital information is transmitted via optical fiber,the image acquisition and transmission processes still rely heavily on electronic *** development of all-optical transmission networks and optical computing frameworks has pointed to the direction for the next generation of data transmission and information ***,we propose a high-speed,low-cost,multiplexed parallel and one-piece all-fiber architecture for image acquisition,encoding,and transmission,called the Multicore Fiber Acquisition and Transmission Image System(MFAT).Based on different spatial and modal channels of the multicore fiber,fiber-coupled self-encoding,and digital aperture decoding technology,scenes can be observed directly from up to 1 km *** expansion of capacity provides the possibility of parallel coded transmission of multimodal high-quality *** requires no additional signal transmitting and receiving *** all-fiber processing saves the time traditionally spent on signal conversion and image pre-processing(compression,encoding,and modulation).Additionally,it provides an effective solution for 2D information acquisition and transmission tasks in extreme environments such as high temperatures and electromagnetic interference.

关键词： long-distance fiber imaging image transmission parallel transmission all-optical encoding multicore fiber

Variational Analysis Based on Proximal Subdifferential on Smooth Banach Spaces

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Acta Mathematica Sinica,English Series 2024年第2期40卷 595-618页

作者： Xi yin ZHENG Department of Mathematics Yunnan UniversityKunming 650091P.R.China

This paper first shows that for any p∈(1,2)there exists a continuously differentiable function f on l^(p)(and L^(p))such that the proximal subdifferential of f is empty everywhere,and hence it is not suitable to develop theory on proximal subdifferential in the classical Banach spaces l^(P)and L^(P) with p∈(1,2).On the other hand,this paper establishes variational analysis based on the proximal subdifferential in the framework of smooth Banach spaces of power type 2,which conclude all Hilbert spaces and all the classical spaces l^(P)and L^(P)with p∈(2,+∞).In particular,in such a smooth space,we provide the proximal subdifferential rules for sum functions,product functions,composite functions and supremum functions,which extend the basic results on the proximal subdifferential established in the framework of Hilbert *** of our main results are new even in the Hilbert space *** applications,we provide KKT-like conditions for nonsmooth optimization problems in terms of proximal subdifferential.

关键词： Smooth Banach space proximal subdifferential proximal normal cone KKT condition

Optical properties of stacked liquid crystal superstructures with opposite chirality [Invited]

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Chinese Optics Letters 2024年第6期22卷 158-163页

作者： Lin Zhu Yiheng Zhang Shijun Ge Peng Chen yanqing Lu National Laboratory of Solid State Microstructures Key Laboratory of Intelligent Optical Sensing and ManipulationCollege of Engineering and Applied Sciencesand Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China

Cholesteric liquid crystal (CLC) has been widely used in flat optical elements due to the Pancharatnam–Berry(PB) phase modulation. In order to achieve PB phase modulation for both circular polarizations, it is natural to come up with stacking CLCs with opposite chirality. Here, various optical properties of diverse CLC stacking structures are systematically investigated by numerical calculations. With the thickness of the CLC sublayers becoming smaller, the reflection bandgap splits into three main parts, and the rotatory dispersion gradually becomes negligible. Vector beams provide a more intuitive verification. These results provide theoretical guidance for future studies on stacked chiral anisotropic media.

关键词： cholesteric liquid crystals Pancharatnam–Berry phases chirality vector beams

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北京城市河湖绿化废弃物资源化利用模式探讨

水资源开发与管理 2023年第5期9卷 54-59页

作者：尹艳青北京市水务建设管理事务中心北京100036

随着城市河湖环境的提升,河湖两岸种植了大量的树木、花草,秋冬季节,修剪的树枝、花草落叶、河道漂浮物等绿化废弃物的处理成了一个新问题。本文在北京市市管河湖管理范围内绿化废弃物的收集及处置现状调研的基础上,进行废弃物循环利用... 详细信息

随着城市河湖环境的提升,河湖两岸种植了大量的树木、花草,秋冬季节,修剪的树枝、花草落叶、河道漂浮物等绿化废弃物的处理成了一个新问题。本文在北京市市管河湖管理范围内绿化废弃物的收集及处置现状调研的基础上,进行废弃物循环利用方式模式探讨,提出生态处理绿化废弃物并进行循环利用方案,可为城市河湖绿化废弃物资源化利用提供参考。

关键词：北京市河湖绿化废弃物资源化

Growth and inhibition of zinc anode dendrites in Zn-air batteries:Model and experiment

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Chinese Journal of Chemical Engineering 2024年第3期67卷 268-281页

作者： Cuiping He Qingyi Gou yanqing Hou Jianguo Wang Xiang You Ni Yang Lin Tian Gang Xie Yuanliang Chen Kunming University of Science and Technology State Key Laboratory of Complex Nonferrous Metal Resources Clean UtilizationKunming 650093China Kunming University of Science and Technology Faculty of Metallurgical and Energy EngineeringKunming 650093China China Copper Co.Ltd KunmingYunnan 650051China State Key Laboratory of Advanced Metallurgy for Non-ferrous Metals Kunming 650051China Sichuan Shunying Power Battery Materials Co.Ltd Sichuan 620076China

Zinc(Zn)-air batteries are widely used in secondary battery research owing to their high theoretical energy density,good electrochemical reversibility,stable discharge performance,and low cost of the anode active material ***,the Zn anode also leads to many challenges,including dendrite growth,deformation,and hydrogen precipitation *** this context,Zn dendrite growth has a greater impact on the cycle *** this dissertation,a dendrite growth model for a Zn-air battery was established based on electrochemical phase field theory,and the effects of the charging time,anisotropy strength,and electrolyte temperature on the morphology and growth height of Zn dendrites were studied.A series of experiments was designed with different gradient influencing factors in subsequent experiments to verify the theoretical simulations,including elevated electrolyte temperatures,flowing electrolytes,and pulsed *** simulation results show that the growth of Zn dendrites is controlled mainly by diffusion and mass transfer processes,whereas the electrolyte temperature,flow rate,and interfacial energy anisotropy intensity are the main *** experimental results show that an optimal electrolyte temperature of 343.15 K,an optimal electrolyte flow rate of 40 ml·min^(-1),and an effective pulse charging mode.

关键词： Zn-air battery Zinc anode Zinc dendrite Simulated dendrite growth Inhibit dendrite growth Phase-field model

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新型国防科技成果登记体系建设研究

科技管理研究 2018年第12期38卷 34-39页

作者：尹岩青石根柱邹俊军事科学院军事科学信息研究中心北京100142

国防科技成果登记是大数据时代把握国防科技投入产出状况、促进信息交流和科技创新的重要手段。分析国防科技成果登记的需求、发展现状和存在的主要问题,构建集成果信息收集、整理、挖掘、发布和服务等于一体的新型国防科技成果登记体系... 详细信息

国防科技成果登记是大数据时代把握国防科技投入产出状况、促进信息交流和科技创新的重要手段。分析国防科技成果登记的需求、发展现状和存在的主要问题,构建集成果信息收集、整理、挖掘、发布和服务等于一体的新型国防科技成果登记体系,提出组织体系、工作模式、数据标准、工作平台和制度机制等重点建设思路。

关键词：国防科技成果登记体系