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Computational tools for plant genomics and breeding

science China(Life sciences) 2024年第8期67卷 1579-1590页

作者： Hai Wang Mengjiao Chen Xin Wei Rui Xia Dong Pei Xuehui Huang Bin Han State key Laboratory of Maize Bio-breeding Frontiers Science Center for Molecular Design BreedingJoint International Research Laboratory of Crop Molecular BreedingNational Maize Improvement CenterCollege of Agronomy and BiotechnologyChina Agricultural UniversityBeijing 100193China Sanya Institute of China Agricultural University Sanya 572025China Hainan Yazhou Bay Seed Laboratory Sanya 572025China State key Laboratory of Tree Genetics and Breeding Key Laboratory of Tree Breeding and Cultivation of the State Forestry and Grassland AdministrationResearch Institute of ForestryChinese Academy of ForestryBeijing 100091China Shanghai key Laboratory of Plant molecular sciences College of Life SciencesShanghai Normal UniversityShanghai 200234China College of Horticulture South China Agricultural UniversityGuangzhou 510640China National center for Gene Research CAS Center for Excellence in Molecular Plant SciencesChinese Academy of SciencesShanghai 200233China

Plant genomics and crop breeding are at the intersection of biotechnology and information *** by a combination of highthroughput sequencing,molecular biology and data science,great advances have been made in omics technologies at every step along the central dogma,especially in genome assembling,genome annotation,epigenomic profiling,and transcriptome *** advances further revolutionized three directions of *** is genetic dissection of complex traits in crops,along with genomic prediction and *** second is comparative genomics and evolution,which open up new opportunities to depict the evolutionary constraints of biological sequences for deleterious variant *** third direction is the development of deep learning approaches for the rational design of biological sequences,especially proteins,for synthetic *** three directions of development serve as the foundation for a new era of crop breeding where agronomic traits are enhanced by genome design.

关键词： bioinformatics plant genomics breeding by design

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Delicate chemical structure regulation of nonfullerene acceptor for efficient and large thickness organic solar cells

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science China Chemistry 2024年第5期67卷 1596-1604页

作者： Zhe Zhang Wanying Feng Yunxin Zhang Shaohui Yuan Yuyang Bai Peiran Wang Zhaoyang Yao Chenxi Li Tainan Duan Xiangjian Wan Bin Kan Yongsheng Chen State key Laboratory and Institute of Elemento-Organic Chemistry Frontiers Science Center for New Organic MatterThe Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer MaterialsRenewable Energy Conversion and Storage Center(RECAST)College of ChemistryNankai UniversityTianjin 300071China School of Materials science and Engineering National Institute for Advanced MaterialsNankai UniversityTianjin 300350China Chongqing Institute of Green and Intelligent Technology Chongqing SchoolUniversity of Chinese Academy of Sciences(UCAS Chongqing)Chinese Academy of SciencesChongqing 400722China

Inspired by the success of CH-series acceptors, a small-molecular acceptor, CH-Tz was reported by adopting a new conjugationextended electron-deficient unit([1,2,5]thiadiazolo[3,4-b]pyrazine) on the central core. Owing to the enhanced inter-/intramolecular interactions, CH-Tz exhibited near-infrared absorption and an effective three-dimensional molecular packing network in its single crystal. When blended with polymer donor PM6, the binary device achieved a high power conversion efficiency(PCE) of 18.54%, with a notable short-circuit current density(J_(sc)) of 27.54 m A cm-2and an excellent fill factor(FF) over 80%,which can be partly ascribed to the balanced charge transport properties in the blend film. After employing D18-Cl as the third component, an enhanced PCE of 18.85% was achieved due to a more obvious fiber network. Impressively, the CH-Tz-based OSC devices show excellent thermal stability and thickness insensitivity. Record-breaking Jscof 28.92 m A cm-2was reached for PM6:D18-Cl:CH-Tz ternary device with a thickness of 560 nm. Besides, CH-Tz shows potential in fabricating multicomponent high-performance organic solar cells, where over 19% efficiency could be realized in the quaternary device. Our work advances the strong influence of electron-deficient central units on molecular photovoltaic properties and guides the design of acceptors for stable and large-thickness organic solar cells.

关键词： organic solar cells non-fullerene acceptor central unit large thickness molecular packing

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基于雷洛昔芬的多重刺激响应性单组分室温磷光分子晶体

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science Bulletin 2024年第9期69卷 1237-1248页

作者：潘智超宋金明张莎莎曾平梅菊曲大辉 key Laboratory for Advanced Materials Joint International Research Laboratory of Precision Chemistry and Molecular EngineeringFeringa Nobel Prize Scientist Joint Research CenterFrontiers Science Center for Materiobiology and Dynamic ChemistryInstitute of Fine ChemicalsSchool of Chemistry&Molecular EngineeringEast China University of Science&TechnologyShanghai 200237China

Simultaneously achieving room-temperature phosphorescence(RTP) and multiple-stimuli responsiveness in a single-component system is of significance but remains challenging. Crystallization has been recognized to be a workable strategy to fulfill the above task. However, how the molecular packing mode affects the intersystem crossing and RTP lifetime concurrently remains unclear so far. Herein, four economic small-molecular compounds, analogues of the famous drug raloxifene(RALO), are facilely synthesized and further explored as neat single-component and stimuli-responsive RTP emitters via crystallization engineering. Thanks to their simple structures and high ease to crystallize, these raloxifene analogues function as models to clarify the important role of molecular packing in the RTP and stimuliresponsiveness properties. Thorough combination of the single-crystal structure analysis and theoretical calculations clearly manifests that the tight antiparallel molecular packing mode is the key point to their RTP behaviors. Interestingly, harnessing the controllable and reversible phase transitions of the two polymorphs of RALO-OAc driven by mechanical force, solvent vapor, and heat, a single-component multilevel stimuli-responsive platform with tunable emission color is established and further exploited for optical information encryption. This work would shed light on the rational design of multi-stimuli responsive RTP systems based on single-component organics.

关键词： Crystal engineering molecular packing Organic room-temperature phosphorescence(RTP) Polymorph Stimuli-responsiveness

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Buried Interface molecular Hybrid Enables Efficient Perovskite Solar Cells

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Chinese Physics Letters 2024年第9期41卷 151-152页

作者： Tianyu Huang Rui Zhu Deying Luo State key Laboratory for Artificial Microstructure and Mesoscopic Physics School of PhysicsFrontiers Science Center for Nano-optoelectronics&Collaborative Innovation Center of Quantum MatterPeking UniversityBeijing 100871China Department of Chemical and Nano Engineering University of California San DiegoLa JollaCAUSA

Perovskite solar cells(PSCs)with a positive-intrinsicnegative(p–i–n,commonly referred to as“inverted”)structure are becoming commercially attractive due to their superior power conversion efficiency(PCE)and better operational stability as compared to the“normal”structure device.^([1–5])Nonetheless,further improvements in the device performance of inverted PSCs are hampered by interface losses,particularly where the buried interfaces are responsible for perovskite crystallization and chargecarrier extraction.^([6–9])

关键词： attractive perovskite crystallization

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Encapsulated Fe(IV)molecular Complex for Photoacoustic Imaging

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CCS Chemistry 2024年第5期6卷 1184-1197页

作者： Ye Xu Chao Li Zhong-Yu Yu Jiamin Wang Zhaoyang Liu Chao Jiang Zhen-Feng Chen Xiaoyu Wu Ming-Xing Li Hong Yang Zhao-Xi Wang Jonathan L.Sessler Department of Chemistry Center for Supramolecular Chemistry and CatalysisInnovative Drug Research CenterShanghai UniversityShanghai 200444 College of Chemistry and Materials science Shanghai Key Laboratory of Rare Earth Functional MaterialsShanghai Frontiers Science Center of Biomimetic CatalysisShanghai Normal UniversityShanghai 200234 Sijing Community Health Service center of Songjiang District Shanghai 201601 key Laboratory for Chemistry and molecular Engineering of Medicinal Resources Guangxi Normal UniversityGuilin 541004 Department of Chemistry The University of Texas at AustinAustinTexas 78712-1224

stable neutral Fe(IV)complex(Fe-HDCL),readily accessible on the g scale,was found to possess high water solubility and good stability(<5%degradation over 4 h upon photoirradiation).Fe-HDCL is green and absorbs light effectively in the visible region(500–800 nm)with aλmax at 650 nm(ɛ=7830 M^(−1)cm^(−1)).Fe-HDCL also exhibits photothermal(PT)behavior comparable to single-wall carbon nanotubes in the solid *** aqueous solution,high PT conversion(η=72.6%)is achieved,and a strong hyperthermia-based inhibition of cell growth is observed upon subjecting Fe-HDCL to near-infrared 730 nm laser *** biological studies in vitro and in vivo confirmed that Fe-HDCL is biocompatible,clears readily,and allows the visual detection of blood *** subjecting mice to intravenous injection at low doses(e.g.,50μmol·kg^(−1)),Fe-HDCL also permits the photoacoustic(PA)imaging of kidneys and the evaluation of renal fibrosis in mouse *** addition,Fe-HDCL allows PA-based imaging of brain tissues,presumably reflecting its ability to pass through the blood-brain *** thus propose that Fe-HDCL has a role to play as PT agent and as a photodiagnostic.

关键词： stable Fe(IV)complex blood-brain barrier molecular cage photoacoustic imaging renal fibrosis

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基于侧基多通道和对称性破缺效应的分子电导调控

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science China Materials 2024年第6期67卷 1994-1999页

作者：郝杰汪博宇赵璁霍雅妮王进莹贾传成郭雪峰 center of Single-Molecule sciences Institute of Modern OpticsFrontiers Science Center for New Organic MatterTianjin Key Laboratory of Micro-scale Optical Information Science and TechnologyCollege of Electronic Information and Optical EngineeringNankai UniversityTianjin 300350China network for Computational Nanotechnology School of Electrical and Computer EngineeringPurdue UniversityIndiana 47907USA Beijing National Laboratory for molecular sciences National Biomedical Imaging CenterCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China

化学取代是有效调节分子电导,产生多通道输运、量子干涉效应和其他机制的关键方法.但分子骨架和侧基之间存在复杂的相互作用,目前仍未被研究清楚.在本工作中,我们结合扫描隧道显微镜裂结实验技术和第一性原理计算方法,深入研究了具有不... 详细信息

化学取代是有效调节分子电导,产生多通道输运、量子干涉效应和其他机制的关键方法.但分子骨架和侧基之间存在复杂的相互作用,目前仍未被研究清楚.在本工作中,我们结合扫描隧道显微镜裂结实验技术和第一性原理计算方法,深入研究了具有不同σ和π侧基的分子电导.实验结果及理论分析表明,σ侧基的加入引起了分子前线轨道的对称性破缺并加剧了分子内散射,从而导致电导的降低.相反,π侧基引入了额外的电荷传输通道,实现了电荷传输的多通道效应,增加了分子的电导.这些发现为未来分子功能化和分子电子器件的设计提供了坚实的基础.

关键词： side substituent multiple-channel effect symmetry-breaking effect single-molecule junction

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New sustainable polymers with on-demand depolymerization property

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science China Chemistry 2024年第9期67卷 2803-2841页

作者： Yangyang Sun Zesheng An Yanshan Gao Rongrong Hu Ye Liu Hua Lu Xiao-Bing Lu Xuan Pang Anjun Qin Yong Shen Youhua Tao Yu-Zhong Wang Junpeng Wang Gang Wu Guang-Peng Wu Tie-Qi Xu Xing-Hong Zhang Yuetao Zhang Zhenbiao Zhang Jian-Bo Zhu Miao Hong Zhibo Li State key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China State key Laboratory Base of Eco-Chemical Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao266042China State key Laboratory of Supramolecular Structure and Materials College of ChemistryJilin UniversityChangchun 130012China State key Laboratory of Luminescent Materials and Devices Guangdong Provincial Key Laboratory of Luminescence from Molecular AggregatesSouth China University of TechnologyGuangzhou 510640China State key Laboratory of Fine Chemicals Frontiers Science Center for Smart MaterialsDalian University of TechnologyDalian 116024China Beijing National Laboratory for molecular sciences Center for Soft Matter Science and EngineeringKey Laboratory of Polymer Chemistry and Physics of Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China key Laboratory of Polymer Ecomaterials Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China The Collaborative Innovation center for Eco-Friendly and Fire-Safety Polymeric Materials(MoE) National Engineering Laboratory of Eco-Friendly Polymeric Materials(Sichuan)College of ChemistryState Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu 610064China School of Polymer science and Polymer Engineering the University of AkronAkronOH 44325USA MOE key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and EngineeringZhejiang UniversityHangzhou 310027China State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials Jiangsu Key Laboratory of Advanced Functional Polymer Design and ApplicationSuzhou Key Laboratory of Macromolecular Design and Precision SynthesisCollege of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhou 215123China

To combat the crisis of today's synthetic polymers arising from unsustainable production and disposal,it is essential for the synthetic polymer community to reshape the current polymer industry with sustainable *** an emerging class of sustainable polymers,the development of chemically depolymerizable polymers(CDPs),which can undergo closed-loop depolymerization/repolymerization cycles to reproduce virgin polymers without the loss of properties from recovered monomers,offers an ideal solution to preserve finite natural resources,provides a feasible solution to the end-of-life issue of polymer waste,and thereby establishes a circular materials ***,two grand key challenges have been encountered in the establishment of practically useful CDPs:how to balance polymerization and depolymerization ability and how to unify conflicted depolymerizability and physical ***,this critical review article presents our vision for summarizing feasible strategies to overcome the above two significant challenges and the design principles for constructing an ideal CDP by highlighting selected major progress made in this rapidly expanding field.

关键词： chemically depolymerizable polymers sustainable polymers depolymerization monomer recovery degradation plastics

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Cyberbiosecurity: Advancements in DNA-based information security

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生物安全与健康(英文) 2024年第04期06卷 251-256页

作者： Liu Tuoyu Zhou Sijie Wang Tao Teng Yue State key Laboratory of Pathogen and Biosecurity Beijing Institute of Microbiology and Epidemiology Beijing China School of Life sciences Tianjin University Tianjin China frontiers science center for Synthetic Biology and key Laboratory of Systems Bioengineering (Ministry of Education) School of Chemical Engineering and Technology Tianjin University Tianjin China frontiers Research Institute for Synthetic Biology Tianjin University Tianjin China

Synthetic biology is a crucial component of the "cyber-biological revolution" in this new industrial revolution. Owing to breakthroughs in synthetic biology, deoxyribonucleic acid (DNA), the storehouse of hereditary material in biological systems, can now be used as a medium for storage (synthesis) and reading (sequencing) of information. However, integrating synthetic biology with computerization has also caused cyberbiosecurity concerns, encompassing biosecurity and information security issues. Malicious codes intended to attack computer systems can be stored as artificially synthesized DNA fragments, which can be released during DNA sequencing and decoding and attack computer and network systems. As these cyberbiosecurity threats become increasingly realistic, spreading awareness and information about how they can be prevented and controlled is crucial. This review aims to address this need by offering crucial theoretical backing for cyberbiosecurity research and raising awareness of risk mitigation and control measures in information security, biosecurity, and national security.

关键词： Synthetic biology Cyberbiosecurity Information security Deoxyribonucleic acid (DNA) storage Deoxyribonucleic acid (DNA) sequencing

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Hydrogen self-supplying initiators excited by visible light for the fabrication of transparent films

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science China Chemistry 2024年

作者： Qingze Pan Chiheng Liu Wenzhe Qiao Jianwei Li Saihe Yang Yangyang Xin Pengzhong Chen Jiangli Fan Xiaojun Peng State key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering Dalian University of Technology Ningbo Institute of Dalian University of Technology key Lab of Organic Optoelectronics and molecular Engineering of Ministry of Education Department of Chemistry Tsinghua University Liaoning Binhai Laboratory

Unimolecular Type II radical photoinitiators(PIs) have received significant attention in photocuring owing to the fact that they improve the sustainability of the overall process compared with traditional Type II radical photoinitiators. However, the photopolymerization efficiency of unimolecular Type II radical photoinitiators is hindered by their short excitation wavelengths,poor photon capture abilities, and inefficient photobleaching performance. Herein, we report a coumarin-based self-sufficient initiator(C-NA), which is designed by integrating “hydrogen donor” and “hydrogen acceptor” into the coumarin framework and used for single-component visible light curing. C-NA exhibits a visible light absorbance and high molar extinction coefficient and is completely photobleached under the irradiation of 405 nm light-emitting diodes(LEDs). The formation of free radicals arises from the transfer of hydrogen from the diethylamino group to the coumarin framework, together with a highly efficient photodegradation process of C-NA. Finally, C-NA was successfully applied to prepare a transparent film material. Therefore,C-NA offers new insights into the design of promising unimolecular Type II radical photoinitiators for photocuring.

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Water-Driven Malleable,Weldable and Eco-Friendly Recyclable Carbon Fiber Reinforced Dynamic Composites

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Chinese Journal of Chemistry 2024年第5期42卷 516-522页

作者： Ping Yu Qirui Huang Yi Wang Wan Peng Zichen Jia Haiyue Wang Juanjuan Ma Chunyu Wang Xuzhou Yan School of Environmental and Chemical Engineering Jiangsu Key Laboratory of Function Control Technology for Advanced MaterialsJiangsu Ocean UniversityLianyungangJiangsu222005 China School of Chemistry and Chemical Engineering Frontiers Science Center for Transformative MoleculesShanghai Jiao Tong UniversityShanghai200240 China

Traditional carbon fiber-reinforced polymers based on thermoset matrix have been extensively used in the fields of wind turbine blades,automotive sector,and aerospace,among many ***,there is still a major challenge of recycling those polymers due to the high cost and adverse impacts on the *** this work,we apply a polyimine network as matrix,which possess considerable tensile and thermal properties,to prepare the carbon fiber reinforced polyimine materials with trifluoromethyl diphenoxybenzene units(CFRFP)using a prepreg-based compression molding *** CFRFP can be reshaped or reprocessed by heat or with water rapidly,and exhibited multifunction,including welding,chemical recycling,*** unique findings gained from our study will facilitate the manufacturing capability and enrich the types of fiber-reinforced composites.

关键词： Dynamic chemistry Green chemistry Fiber-reinforced composites Fluoropolyimine Welding Reshaping Recycling Renewable resources

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