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Nano Research 2025年第1期18卷 186-194页

作者： Dongxu jiao Xinyi li Mingzi Sun lin liu Jinchang Fan Jingxiang Zhao Bolong Huang Xiaoqiang cui State Key Laboratory of Automotive Simulation and Control School of Materials Science and Engineeringand Key Laboratory of Automobile Materials of MOEJilin UniversityChangchun 130012China Department of Applied Biology and Chemical Technology The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina College of Chemistry and Chemical Engineering and Key Laboratory of Photonic and Electronic Bandgap MaterialsMinistry of EducationHarbin Normal UniversityHarbin 150025China

The development of high-performance atomiccatalysts for the carbon dioxide reduction reaction(CO_(2)RR)is atime-consuming process due to the complexity of the reactionmechanism and the uncertainty of the active ***,wehave proposed combining density functional theory(DFT)andmachine learning(ML)to investigate the potential of topologicalgraphene-based dual-atom catalysts(DACs)as CO_(2)*** analyzing the ML results,we identify thenumber of d-orbital electrons in the active site as a key factorinfluencing the CO_(2)RR catalytic ***,wepropose a simple descriptor to measure the CO_(2)RR activity ofthese *** findings provide plausible explanations for thesynergistic interactions between bimetallic atoms in CO_(2)RR andallow us to screen the homogeneous Ni-Ni pair as the mostpromising dual-atom *** work offers a fast MLapproach based on limited DFT calculations to predict the mostelectroactive and stable DACs on carbon support for CO_(2)RR,facilitating rapid screening of high-performance dual-atomcatalysts.

关键词： CO_(2)reaction reduction dual-atom catalysts density functional theory machine learning

Species diversity,taxonomy and phylogeny of Polyporaceae(Basidiomycota)in China

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Fungal Diversity 2019年第4期97卷 137-392页

作者： bao-kai cui hai-jiao li Xing Ji Jun-liang Zhou Jie Song Jing Si Zhu-liang Yang yu-cheng dai Institute of Microbiology Beijing Forestry UniversityBeijing 100083China Beijing advanced Innovation Center for Tree Breeding by Molecular Design Beijing Forestry UniversityBeijing 100083China National Institute of Occupational Health and Poison Control Chinese Center for Disease Control and PreventionBeijing 100050China Key Laboratory for Plant Diversity and Biogeography of East Asia Kunming Institute of BotanyChinese Academy of SciencesHeilongtanKunming 650201China

Polyporaceae is one of the most important families of *** on the species diversity,taxonomy and phylogeny of Polyporaceae in China are carried *** far 217 species belonging to 42 genera are reported from *** new genera:Amylosporia *** Murinicarpus ***.,twelve new species:Coriolopsis dendriformis ***.,*** ***.,Funalia cystidiata ***.,Haploporus microsporus ***.,Perenniporia citrinoalba ***.,*** ***.,Picipes hainanensis ***.,*** ***.,*** ***.,Trametes duplexa ***.,*** *** *** ***.,and six new combinations,Amylosporia hattorii ***.,Hornodermoporus latissimus ***.,Murinicarpus subadustus ***.,Picipes pumilus ***.,Vanderbylia delavayi *** Vanderbylia robiniophila ***.,are *** the species are described based on the Chinese *** to genera of Polyporaceae occurring in China and keys to species of each genus are *** monograph provides a revised classification of Polyporaceae in China according to the modern *** phylogeny of Polyporaceae from China are reconstructed based on DNA sequences of multiple loci including the internal transcribed spacer(ITS)regions,the large subunit nuclear ribosomal RNA gene(nLSU),the small subunit nuclear ribosomal RNA gene(nSSU),the small subunit mitochondrial rRNA gene sequences(mtSSU),the translation elongation factor 1-αgene(TEF1),theβ-tubulin gene(TBB1),the RNA polymerase II largest subunit(RPB1)and second largest subunit(RPB2)*** addition,full morphological descriptions,illustrations,color photographs,taxonomic notes,ecology and all the available sequences of Polyporaceae species found from China are provided.

关键词： Classification Multi-gene phylogeny Polypore Systematics White-rot fungi

Strong interactions in molybdenum disulfide heterostructures boosting the catalytic performance of water splitting: A short review

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Nano Materials Science 2019年第4期1卷 231-245页

作者： Bo Shang lin jiao Qiaoliang bao Changming li Xiaoqiang cui Key Laboratory of Automobile Materials of MOE School of Materials Science and EngineeringJilin University2699 Qianjin StreetChangchun130012People's Republic of China Department of Materials Science and Engineering ARC Centre of Excellence in Future Low-Energy Electronics Technologies(FLEET)Monash UniversityClaytonVictoria3800Australia Institute of Advanced Cross-field Science College of Life ScienceQingdao UniversityChina

Two-dimensional materials(2DMs) have attracted substantial attention due to their abundant active sites and their ultrahigh surface area for different catalytic applications due to the high lateral-longitudinal ratio. Transition metal dichalcogenides(TMDs), especially MoS2, as one of the 2DMs most often studied, have shown superior activity in electrochemical applications. Recently, combinations of different 2DMs have been widely studied, and they appear to be the most promising strategy available to develop state of the art catalysts for different *** this article, we review the interactions between MoS2 and other materials as well as the novel assembly induced phase transitions of TMDs and their underlying mechanisms. Several methods for inducing the phase transition of TMDs by building MoS2-based heterostructures have been introduced. The electronic coupling between these counterparts has significantly enhanced their conductivity and optimized the energy states of the materials, thus introducing enhanced activity as compared to their original counterparts. The ideas summarized in this article may shed new light on and help to develop next-generation green energy materials by designing and constructing highly active two-dimensional catalysts for efficient water splitting.

关键词： Molybdenum disulfide Heterostructure Phase transition Interaction Water splitting

Iron-mediated cross dehydrogenative coupling(CDC) of terminal alkynes with benzylic ethers and alkanes

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Science China Chemistry 2012年第1期55卷 50-54页

作者： XIANG Shi-kai ZHANG Bo ZHANG li-He cui yuXin jiao Ning State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China Shanghai Key Laboratory of Green Chemistry and Chemical Processes Department of ChemistryEast China Normal UniversityShanghai 200062China

Iron-mediated sp-sp3 C-C bond formation through the cross dehydrogenative coupling(CDC) of terminal alkynes with benzylic ethers or alkanes has been *** inexpensive iron salt is used as the catalyst to make this transformation environmentally ***-mediated sp-sp3 C-C bond formation through the cross dehydrogenative coupling(CDC) of terminal alkynes with benzylic ethers or alkanes has been *** inexpensive iron salt is used as the catalyst to make this transformation environmentally benign.

关键词： iron cross dehydrogenative coupling terminal alkynes benzylic ethers

Influence of filling atoms on radial collapse and elasticity of carbon nanotubes under hydrostatic pressure

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Science Bulletin 2015年第17期60卷 1509-1516页

作者： Zhi-De Han cui-cui ling Qi-kai Guo hai-Peng Lu Hong-Guang Sui jiao-Jian Yin Long-Jiang Deng College of Science China University of Petroleum National Engineering Research Center of Electromagnetic Radiation Control Materials University of Electronic Science and Technology of China State Key Laboratory of Heavy Oil Processing China University of Petroleum

Using molecular mechanics and molecular dynamics simulations, we focus on the influence of filling atoms on radial collapse and elasticity of single-walled carbon nanotubes(SWNTs). It is shown that the filled argon(Ar) and silicon(Si) atoms can effectively improve the resistance to high pressure and radial elasticity of SWNT, which may attribute to the strong repulsive force from the filled Ar(Si) atoms. However, due to the strong interaction of Cu atoms, filling Cu atoms deteriorate SWNT's radial elasticity. In addition, it is found that the phase transitions of the atoms filled in SWNT occur in the process of loading and unloading pressure, so that the electrical properties of the SWNTs filled with atoms change in the process of loading and unloading pressure. In view of the restorability of SWNT filled with Si atoms upon unloading, the filled SWNTs can be used to develop a new class of nano-electronic devices such as pressure sensor, relay and memory, etc.

关键词： Carbon nanotubes Filling Radial collapse Hydrostatic pressure

Polymer matrix mediated solvation of liNO3 in carbonate electrolytes for quasi-solid high-voltage lithium metal batteries

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Nano Research 2020年第9期13卷 2431-2437页

作者： Zijian Wang kai Yang Yongli Song hai lin Ke li Yanhui cui Luyi Yang Feng Pan School of Advanced Materials Peking University Shenzhen Graduate School Shenzhen 518055China

lithium(li)metal is one of the most promising anodes for next-generation energy storage ***,the li dendrite formation and unstable solid-electrolyte interface(SEI)have hindered its further *** nitrate(liNO3)is extensively used as an effective electrolyte additive in ether-based electrolytes to improve the stability of lithium ***,it is rarely utilized in carbonate electrolytes due to its low ***,a novel gel polymer electrolyte(GPE)consisting of poly(vinylidene fluoride)(PVDF),poly(methyl methacrylate)(PMMA),poly(ethylene oxide)(PEO)with liN03 additive is proposed to solve this *** this GPE,polyether-based PEO serves as a matrix for dissolving liNO3 which can be decomposed into a fast li-ion conductor(li3N)in conventional carbonate electrolytes to enhance the stability and li^+conductivity of the SEI *** a result,dendrite formation is effectively suppressed,and a significantly improved average Coulombic efficiency(CE)of 97.2%in li-Cu cell is *** using this novel GPE coupled with li anode and liNi0.5Mn0.3Co0.2O2(NMC532),excellent capacity retention of 94.1%and high average CE of over 99.2%are obtained after 200 cycles at 0.5 *** work presents fresh insight into practical modification strategies on high-voltage li metal batteries.

关键词： li anode gel polymer electrolyte lithium nitrate li dendrite electrolyte additives

Winter cover crops alter methanotrophs community structure in a double-rice paddy soil

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Journal of Integrative Agriculture 2016年第3期15卷 553-565页

作者： liU Jing-na ZHU Bo YI li-xia dai Hong-cui XU He-shui ZHANG kai HU yue-gao ZENG Zhao-hai College of Agriculture and Biotechnology China Agricultural University School of Agronomy Yangtze University

Methanotrophs play a vital role in the mitigation of methane emission from soils. However, the influences of cover crops incorporation on paddy soil methanotrophic community structure have not been fully understood. In this study, the impacts of two winter cover crops（Chinese milk vetch（Astragalus sinicus L.） and ryegrass（Lolium multiflorum Lam.）, representing leguminous and non-leguminous cover crops, respectively） on community structure and abundance of methanotrophs were evaluated by using PCR-DGGE（polymerase chain reaction-denaturing gradient gel electrophoresis） and real-time PCR technology in a double-rice cropping system from South China. Four treatments were established in a completely randomized block design： 1） double-rice cropping without nitrogen fertilizer application, CK; 2） double-rice cropping with chemical nitrogen fertilizer application（200 kg ha^（–1） urea for entire double-rice season）, CF; 3） Chinese milk vetch cropping followed by double-rice cultivation with Chinese milk vetch incorporation, MV; 4） ryegrass cropping followed by double-rice cultivation with ryegrass incorporation, RG. Results showed that cultivating Chinese milk vetch and ryegrass in fallow season decreased soil bulk density and increased rice yield in different extents by comparison with CK. Additionally, methanotrophic bacterial abundance and community structure changed significantly with rice growth. Methanotrophic bacterial pmo A gene copies in four treatments were higher during late-rice season（3.18×10^7 to 10.28×10^7 copies g^–1 dry soil） by comparison with early-rice season（2.1×10^7 to 9.62×10^7 copies g^–1 dry soil）. Type Ⅰ methanotrophs absolutely predominated during early-rice season. However, the advantage of type Ⅰ methanotrophs kept narrowing during entire double-rice season and both types Ⅰ and Ⅱ methanotrophs dominated at later stage of late-rice.

关键词： Chinese milk vetch ryegrass methanotrophic bacteria community structure double-rice

No evidence for the evolution of mass density power-law index γ from strong gravitational lensing observation

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Science China(Physics,Mechanics & Astronomy) 2017年第8期60卷 8-14页

作者： Jing-Lei cui hai-li li Xin Zhang Department of Physics College of Sciences Northeastern University Center for High Energy Physics Peking University

In this paper, we consider the singular isothermal sphere lensing model that has a spherically symmetric power-law mass dis- tribution ρtot（r） - r-γ. We investigate whether the mass density power-law index y is cosmologically evolutionary by using the strong gravitational lensing （SGL） observation, in combination with other cosmological observations. We also check whether the constraint result of y is affected by the cosmological model, by considering several simple dynamical dark energy models. We find that the constraint on y is mainly decided by the SGL observation and independent of the cosmological model, and we find no evidence for the evolution of y from the SGL observation.

关键词： strong gravitational lensing mass density power-law index dynamical dark energy cosmological parameter estimation

Three Types of Isocoumarins with Unusual Carbon Skeletons from Artemisia dubia var. subdigitata and Their Antihepatoma Activity

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Chinese Journal of Chemistry 2024年第16期42卷 1901-1912页

作者： Ke-Xin Yang Tian-Ze li yun-bao Ma Yong-cui Wang Feng-jiao li Ji-Jun Chen State Key Laboratory of Phytochemistry and Plant Resources in West China Kunming Institute of BotanyChinese Academy of SciencesKunmingYunnan 650201China University of Chinese Academy of Sciences Beijing 100049China

Ten novel isocoumarins,including four pairs of enantiomers,were isolated from Artemisia dubia ***(Asteraceae).Compounds 1,2 and 3a/3b possessed a unique 6/6/6-tricyclic system comprising an unusual 1-(2-methylcyclohexyl)propan-1-one moiety fused with isocoumarin core *** 4a/4b were characterized as an unexpected 2,5-dimethylcyclohexan-1-one scaffold,and compounds 5a/5b and 6a/6b were rare 1,*** structures and absolute configurations were elucidated through spectroscopic data,X-ray crystallography,ECD and NMR calculations with DP4+*** biosynthetic pathways were proposed from the naturally occurring *** pharmacological analysis suggested that the targets of compound 1 were significantly enriched in the cell cycle and Pl3K-Akt signaling *** molecular docking revealed that compound 1 had high binding affinity with CDK2(total score:6.8717).Furthermore,compounds 1 and 2 exhibited inhibitory activity on three human hepatoma cell lines,with inhibitory ratios of 85.1% and 84.5%(HepG2),88.2% and 87.3%(Huh7),and 69.2% and 69.1%(SK-Hep-1)at 200μmol·L^(-1),respectively.

关键词： Artemisia dubia var.subdigitata Isocoumarins Antihepatoma activity Cancer Natural products X-ray diffraction