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Science China Chemistry 2024年第1期67卷 368-373页

作者： Xing-Yu Wang Pei Xu Wen-Wen Liu Hao-Qiang Jiang Song-lei Zhu dong guo Xu Zhu Jiangsu Key Laboratory of New Drug Research and Clinical Pharmacy School of PharmacyXuzhou Medical UniversityXuzhou 22100China

Unprecedented divergent synthesis of gem-difluorovinylacetic acid and glutaric acid derivatives fromα-CF_(3)alkenes with formate as the carbonyl source was *** reaction can undergo selective mono-or triple C-F bond cleavage by simply switching the photocatalyst and hydrogen atom transfer(HAT)catalyst under visible-light-induced conditions at room *** acts as both the C1 source and the reductant through the generation of CO_(2)^(·-)species,which underwent Giese radical addition to electron-deficient alkenes to trigger the consecutive C-F bond cleavage and carboxylation process.

关键词： C-F bond activation defluorocarboxylation carbon dioxide radical anion visible light

A General Simulation Method for Complex Deformation of Irregular-Shaped Origami Configurations

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Acta Mechanica Solida Sinica 2024年第1期37卷 90-98页

作者： Zhaochen dong Yichao Zhu Xu guo State Key Laboratory of Structural Analysis for Industrial Equipment Department of Engineering MechanicsInternational Research Center for Computational MechanicsDalian University of TechnologyDalian 116023China

Most existing treatments for origami-folding simulations have focused on regular-shaped *** article aims to introduce a general strategy for simulating and analyzing the deformation process of irregular shapes by means of computational capabilities *** better simulate origami deformation with folding orders,the concept of plane follow-up is introduced to achieve automated computer simulation of complex folding patterns,thereby avoiding intersection and penetration between *** on the evaluation criteria such as the lowest storage energy with tightening and the fastest pace from tightening to unfolding,the optimal crease distribution patterns for four irregular(‘N’-,‘T’-,‘O’-,and‘P’-shaped)origami configurations are then presented under five *** the dimensions of the origami are fixed,it is discovered that simpler folding patterns lead to faster deformation of the origami *** the folding complexity is fixed,higher strain energy results in more rapid origami expansion.

关键词： Irregular-shaped origami Complex deformation Computer-aided origami design General simulation

Recent Advances in Pd-Catalyzed Reactions Involving the “On-Water” Mechanism

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Chinese Journal of Chemistry 2024年第5期42卷 533-542页

作者： dong Wei guo-Qiang Lin State Key Laboratory of Systems Medicine for Cancer Shanghai Cancer InstituteShanghai Key Laboratory of Systems Regulation and Clinical Translation for CancerRen Ji HospitalShanghai Jiao Tong University School of MedicineShanghai200127 China State Key Laboratory of Chemical Biology Shanghai Institute of Organic ChemistryUniversity of Chinese Academy of SciencesChinese Academy of SciencesShanghai200032 China

As the chemical industry grapples with the need for more eco-friendly practices,the use of water as a reaction medium is gaining attraction in organic *** mini-review delves into Pd-catalyzed reactions that utilize the "on-water" mechanism,spanning from 2019 to late *** reactions are neatly categorized into several types: (A) Catalytic C—H activations,(B) Mizoroki- Heck-type reactions,(C) Suzuki-Miyaura reactions,and (D) Cyclization *** showcasing the potential of water as a sustainable reaction medium for organic transformations,these reactions leave no doubt about the importance of embracing eco-friendly practices in the chemical *** Scientists In 1980,a seminal work by Breslow et *** an acceleration of reaction rate in the Diels-Alder *** and co-workers noted a significant increase in the rate of the [2σ+2σ+2π] cycloaddition of quadricyclane and dimethyl azodicarboxylate (DMAD) when the reaction was conducted in water,as opposed to when it was carried out in organic *** term "on-water" was then coined to describe this *** strategy was further expanded to transition-metal catalyzed transformations by Ackermann in ***,Varma and Leazer disclosed a Pd-catalyzed Mizoroki-Heck type arylation of alkenes with diaryliodonium salts “on-water”.The enantioselective version of "on-water" process was not realized until 2014 by the Zhou *** on,the Schaub group described a Pd-catalyzed Suzuki–Miyaura coupling reaction of electron-poor aryl chlorides with water,using only 50 ppm of catalyst *** recently,Liu and Lin extended the "on-water" strategy to Pd-catalyzed double Mizoroki-Heck *** mini-review has focused on Pd-catalyzed reactions involving the “on-water” mechanism.

关键词： Pd-catalyzed “On-water” Green chemistry Aqueous reactions Mechanism Methodology and reactions Mizoroki-Heck reaction Cross-coupling

An effective strategy of constructing multi-metallic oxides of ZnO/ CoNiO_(2)/CoO/C microflowers for improved supercapacitive performance

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Chinese Journal of Chemical Engineering 2024年第3期67卷 1-8页

作者： Wei guo Yan Zhang Xiaxin lei Shuang Wang College of Physics Taiyuan University of TechnologyJinzhong 030600China College of Environmental Science and Engineering Taiyuan University of TechnologyJinzhong 030600China Shanxi Key Laboratory of Gas Energy Efficient and Clean Utilization Taiyuan University of TechnologyTaiyuan 030024China

In this work,a new ZnO/CoNiO_(2)/CoO/C metal oxides composite is prepared by cost-effective hydrothermal method coupled with annealing process under N_(2) ***,the oxidation-defect annealing environment is conducive to both morphology and component of the composite,which flower-like ZnO/CoNiO_(2)/CoO/C is *** from good chemical stability of ZnO,high energy capacity of CoNiO_(2) and CoO and good conductivity of C,the as-prepared sample shows promising electrochemical behavior,including the specific capacity of 1435 C·g^(-1) at 1 A·g^(-1),capacity retention of 87.3%at 20 A·g^(-1),and cycling stability of 90.5%for 3000 cycles at 5 A·g^(-1),***,the prepared ZnO/CoNiO_(2)/CoO/C/NF//AC aqueous hybrid supercapacitors device delivers the best specific energy of 55.9 W·h·kg^(-1) at 850 W·kg^(-1).The results reflect that the as-prepared ZnO/CoNiO_(2)/CoO/C microflowers are considered as high performance electrode materials for supercapacitor,and the strategy mentioned in this paper is benefit to prepare mixed metal oxides composite for energy conversion and storage.

关键词： Composites Electrochemistry Hydrothermal Transition metal oxides Structural control Supercapacitors

Sustainability-oriented prioritization of nuclear fuel cycle transitions in China:a holistic MCDM framework under uncertainties

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Nuclear Science and Techniques 2024年第9期35卷 196-212页

作者： lei Wang Ru-Xing Gao Hyo On Nam Hong Jang Won Il Ko Chun-dong Zhang guo-An Ye Wen-Heng Jing State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical EngineeringNanjing Tech UniversityNanjing 211816China

A sustainability-oriented assessment of the nuclear energy system can provide informative and convincing decision-making support for nuclear development strategies in *** our previous study,four authentic nuclear fuel cycle(NFC)transi-tion scenarios were proposed,featuring different development stages and exhibiting distinct environmental,economic,and technical ***,because of the multiple and often conflicting criteria embedded therein,determining the top-priority NFC alternative for a sustainability orientation remains *** address this issue,this study proposed a novel hybrid multi-criteria decision-making framework comprising fuzzy AHP,PROMETHEE GAIA,and ***,an improved fuzzy AHP weighting model was developed to determine criteria weights under uncertainty and investigate the influence of various weight aggregation and defuzzification ***,PROMETHEE GAIA was used to address conflicts among the criteria and prioritize alternatives on a visualized k-dimensional GAIA *** a result,the alternative for direct recycling PWR spent fuel in fast reactors is considered the most ***,a sensitivity analysis was conducted to examine the influence of criteria weight variation and validate the screening ***,using MOORA,some significant optimization ideas and valuable insights were provided to support decision-makers in shaping nuclear development strategies.

关键词： Nuclear energy systems Nuclear fuel cycle Fuzzy AHP PROMETHEE GAIA

Breaking the efficiency limitations of dissipative Kerr solitons using nonlinear couplers

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Science China(Physics,Mechanics & Astronomy) 2024年第3期67卷 88-94页

作者： Ming Li Xiao-Xiao Xue Yan-lei Zhang Xin-Biao Xu Chun-Hua dong Guang-Can guo Chang-Ling Zou CAS Key Laboratory of Quantum Information University of Science and Technology of ChinaHefei 230026China CAS Centerfor Excellence in Quantum Information and Quantum Physics University of Science and Technology of ChinaHefei 230026China Department of Electronic Engineering Beijing National Research Center for Information Science and TechnologyTsinghua University Beijing 100084China

Dissipative Kerr solitons(DKS) have long been suffering from poor power conversion efficiency when driven by continuous-wave lasers. By deriving the critical coupling condition of a multimode nonlinear optics system in a generalized theoretical framework,two efficiency limitations of the conventional pump method of DKS are revealed: the effective coupling rate is too small and is also power-dependent. A general approach is provided to resolve this challenge by introducing two types of nonlinear couplers to couple the soliton cavity and CW input through nonlinear processes. The collective coupler opens multiple coupling channels and the self-adaptive coupler builds a power-independent effective external coupling rate to the DKS for approaching the generalized critical coupling condition, which promises near-unity power conversion efficiencies. For instance, a conversion efficiency exceeding 90% is predicted for aluminum nitride microrings with a nonlinear coupler utilizing second-harmonic generation. The mechanism applies to various nonlinear processes, including Raman and Brillouin scattering, and thus paves the way for micro-solitons toward practical applications.

关键词： Kerr frequency comb conversion efficiency nonlinear coupler

Constructing oxygen deficiency-rich V_(2)O_(3)@PEDOT cathode for high-performance aqueous zinc-ion batteries

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Rare Metals 2024年第2期43卷 635-646页

作者： dong-Fei Sun Zi-Juan Wang Tian Tian Xin Yu Dan-Dan Yu Xiao-Zhong Zhou guo-Fu Ma Zi-Qiang lei Key Laboratory of Eco-functional Polymer Materials of the Ministry of Education Key Laboratory of Eco-environmental Polymer Materials of Gansu ProvinceSchool of College of Chemistry and Chemical EngineeringNorthwest Normal UniversityLanzhou730070China

Aqueous zinc-ion batteries(AZIBs)have attracted widespread attention due to the advantages of high safety and environmental *** V_(2)O_(3) is a promising cathode,the strong electrostatic interaction between Zn^(2+) and V_(2)O_(3) crystal,and the sluggish reaction kinetics still limit their application in ***,the oxygen defects rich V_(2)O_(3) with conducive poly(3,4-ethylenedioxythiophene)(PEDOT)shell(V_(2)O_(3)-Od@PEDOT)was fabricated for AZIBs by combining the sulfur-assisted thermal reduction and in-situ polymerization *** introduced oxygen vacancies of V_(2)O_(3)–Od@PEDOT weaken the electrostatic interaction between Zn^(2+) and the host material,improving the interfacial electron transport,while the PEDOT coating enhances the structural stability and conductivity of V_(2)O_(3),thus accelerating the reaction *** on the advantages,V_(2)O_(3)–Od@PEDOT electrode delivers a reversible capacity of 495 mAh·g^(−1) at 0.1 A·g^(−1),good rate capability(189 mAh·g^(−1)at 8.0 A·g^(−1)),and an impressive cycling stability with 90.1%capacity retention over 1000 cycles at 8.0 A·g^(−1).The strategy may provide a path for exploiting the other materials for high performance AZIBs.

关键词： Oxygen defects V_(2)O_(3) PEDOT Electrochemical self-optimization Aqueous zinc-ion batteries

Density functional theory study of B- and Si-doped carbons and their adsorption interactions with sulfur compounds

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Carbon Energy 2024年第2期6卷 195-208页

作者： Peng guo Hong Zhang Shuliang dong Libao An College of Mechanical Engineering North China University of Science and TechnologyTangshanHebeiChina College of Life Sciences North China University of Science and TechnologyTangshanHebeiChina

Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion *** this paper,properties of intrinsic B or Si single-atom doped,and B-Si codoped graphene(GR)and graphdiyne(GDY)were investigated by using density functional theory-based calculations,in which the optimal doping configurations were explored for potential applications in adsorbing sulfur *** showed that both B or Si single-atom doping and B-Si codoping could substantially enhance the electron transport properties of GR and GDY,improving their surface ***,B and Si atoms displayed synergistic effects for the codoped configurations,where B-Si codoped GR/GDY exhibited much better performance in the adsorption of sulfurcontaining chemicals than single-atom doped *** addition,results demonstrated that,after B-Si codoping,the adsorption energy and charge transfer amounts of GDY with sulfur compounds were much larger than those of GR,indicating that B-Si codoped GDY might be a favorable material for more effectively interacting with sulfur reagents.

关键词： adsorption density functional theory doping graphdiyne graphene sulfur compounds

Simulating the Escaping Atmosphere of GJ 436 b with Two-fluid Magnetohydrodynamic Models

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Research in Astronomy and Astrophysics 2024年第6期24卷 273-286页

作者： lei Xing Jianheng guo Chuyuan Yang dongdong Yan Yunnan Observatories Chinese Academy of SciencesKunming 650216China University of Chinese Academy of Sciences Beijing 100049China Key Laboratory for Structure and Evolution of Celestial Objects Chinese Academy of SciencesKunming 650216China International Centre of Supernovae Yunnan Key LaboratoryKunming 650216China

Observations of transmission spectra reveal that hot Jupiters and Neptunes are likely to possess escaping atmospheres driven by stellar *** models predict that magnetic fields may exert significant influences on the atmospheres of hot ***,the escaping atmospheres are not entirely ionized,and magnetic fields only directly affect the escape of ionized components within *** the chemical reactions between ionized components and neutral atoms,as well as collision processes,magnetic fields indirectly impact the escape of neutral atoms,thereby influencing the detection signals of planetary atmospheres in transmission *** order to simulate this process,we developed a magnetohydrodynamic multi-fluid model based on MHD code *** an initial exploration,we investigated the impact of magnetic fields on the decoupling of H^(+)and H in the escaping atmosphere of the hot Neptune *** to the strong resonant interactions between H and H^(+),the coupling between them is tight even if the magnetic field is *** course,alternatively,our work also suggests that merging H and H^(+)into a single flow can be a reasonable assumption in MHD simulations of escaping ***,our simulation results indicate that under the influence of magnetic fields,there are noticeable regional differences in the decoupling of H^(+)and *** the increase of magnetic field strength,the degree of decoupling also *** heavier particles such as O,the decoupling between O and H^(+)is more *** findings provide important insights for future studies on the decoupling processes of heavy atoms in the escaping atmospheres of hot Jupiters and hot Neptunes under the influence of magnetic fields.

关键词： magnetohydrodynamics(MHD) planets and satellites:atmospheres hydrodynamics

Bioinformatics tools and resources for cancer and application

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中华医学杂志(英文版) 2024年第17期137卷 2052-2064页

作者： Huang Jin Mao Lingzi lei Qian guo An-Yuan Department of Thoracic Surgery West China Biomedical Big Data Center West China Hospital Sichuan University Chengdu Sichuan China Hubei Bioinformatics & Molecular Imaging Key Laboratory College of Life Science and Technology Huazhong University of Science and Technology Wuhan Hubei China

Tumor bioinformatics plays an important role in cancer research and precision medicine. The primary focus of traditional cancer research has been molecular and clinical studies of a number of fundamental pathways and genes. In recent years, driven by breakthroughs in high-throughput technologies, large-scale cancer omics data have accumulated rapidly. How to effectively utilize and share these data is particularly important. To address this crucial task, many computational tools and databases have been developed over the past few years. To help researchers quickly learn and understand the functions of these tools, in this review, we summarize publicly available bioinformatics tools and resources for pan-cancer multi-omics analysis, regulatory analysis of tumorigenesis, tumor treatment and prognosis, immune infiltration analysis, immune repertoire analysis, cancer driver gene and driver mutation analysis, and cancer single-cell analysis, which may further help researchers find more suitable tools for their research.

关键词： Tumor bioinformatics Cancer research Tools Databases