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A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

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Chinese Journal of Chemical Engineering 2021年第7期34卷 107-123页

作者： Tingting Jiao Huiling Fan Shoujun Liu song yang Wenguang Du Pengzheng Shi Chao yang Yeshuang Wang Ju Shangguan State Key Laboratory of Clean and Efficient Coal Utilization Taiyuan University of TechnologyTaiyuan 030024China Shanxi Engineering Central of Civil Clean Fuel Taiyuan University of TechnologyTaiyuan 030024China College of Chemistry and Chemical Engineering Taiyuan University of TechnologyTaiyuan 030000China Taiyuan Green Coke Energy Co. Ltd.Taiyuan 030006China

The emission of NOx during coal combustion contributes to the formation of acid rain and photochemical smog,which would seriously affect the quality of atmospheric ***,the decrease of NOx is of great importance for improving the efficient utilization of *** present review comprehensively summarized the influence factors and mechanisms of migration and transformation of nitrogen during the coal pyrolysis and combustion based on experimental study and quantum chemical ***,in the process of pyrolysis:the occurrence state and transformation of nitrogen were *** influence of temperature,atmosphere,heating rate and catalyst on formation of NOx precursor and nitrogen migration path at the molecular level were summarized;Secondly,during the process of combustion:the influence of temperature,ambient oxygen concentration,physical structure of coal char,catalyst on heterogeneous oxidation of char(N)were summarized;The effects of char surface properties,catalyst and ambient atmosphere on heterogeneous reduction of NOx were also *** on the quantum chemical calculation,the reaction path of heterogeneous oxidation of char-N and heterogeneous reduction of NOx were described in *** studies focus more on the generation of HCN and NH3,but in order to reduce the pollution of NOx from the source,it is necessary to further improve the process conditions and the optimal formula of producing more N2 during pyrolysis,as well as clarify the path of the generation of *** study and quantum chemistry calculation should be combined to complete the research of directional nitrogen reduction during pyrolysis and denitration during combustion.

关键词： Coal combustion Pyrolysis Environment Nitrogen oxides Quantum chemical calculation

Highly Stereoselective Direct Construction of Diaryl-Substituted Cyclobutanes

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Chinese Journal of Chemistry 2020年第3期38卷 259-262页

作者： Xiang-yang song Liu-Peng Zhao Lijia Wang Yong Tang State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesUniversity of Chinese Academy of Sciences345 Lingling LuShanghai 200032China Shanghai Key Laboratory of Green Chemistry and Chemical Processes Department of ChemistryEast China Normal University3663 North Zhongshan RoadShanghai 200062China

A copper catalyzed stereoselective[2+2]cyclization has been developed,providing a concise protocol to the direct construction of diaryl-substituted cyclobutanes in up to 99%yield with up to>95/5 ***,the enantioselective version of this reaction has also been achieved,leading to a series of optically active diaryl-substituted cyclobutanes with up to 94%ee.

关键词： substituted butane Highly

Synthesis, Antimicrobial Activity, and Molecular Docking of Benzoic Hydrazide or Amide Derivatives Containing a 1,2,3-Triazole Group as Potential SDH Inhibitors

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Chinese Journal of Chemistry 2021年第5期39卷 1319-1330页

作者： Yue Ding Ling Zhang song yang Zhong Li Pei-Yi Wang State Key Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering Key Laboratory of Green Pesticide and Agricultural BioengineeringMinistry of EducationCenter for R&D of Fine Chemicals of Guizhou UniversityGuiyongGuizhou 550025China College of Pharmacy East China University of Science&TechnologyShanghai 200237China

The present study was carried out in an attempt to synthesize a new class of antimicrobial agents containing a 1,2,3-triazole motif formed by classical copper catalyzed click *** bioassay results showed that five compounds 5a;5e,5h,5j,and 5k possessed a remarkable growth inhibitory activity against Botryosphaeria dothidea,Rhizoctonia solani and Gibberella zeae with EC_(50) values within 10.0-0.306μg/*** in vitro efficacy was better than those of the commercial agrochemicals Azoxystrobin,Boscalid,and *** vivo trials showed that compound 51 was effective for the control of rice sheath blight and wheat scab with the effects of 75% and 95%,*** mechanism studies suggested that target compounds were potential succinate dehydrogenase inhibitors(SDHIs),which were proposed by the agreeable molecular docking study and restrained SDH activity(IC_(50)=3.95 μg/mL,51).Interestingly,compounds 5r and 5s displayed good antibacterial activity against *** vivo screening of 5r and 5s against rice bacterial blight afforded a superior control effect(up to 51%)than those of commercial agents Bismerthiazol and Thiodiazole *** current studies could support some title compounds to be the lead compounds for exploring highly bioactive antimicrobial substrates,particularly the potential SDHIs.

关键词： Hydrazide Amide 1,2,3-Triazole Molecular docking SDH inhibitory activity

Triple-negative breast cancer:new treatment strategies in the era of precision medicine

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Science China(Life Sciences) 2021年第3期64卷 372-388页

作者： song-yang Wu Hai Wang Zhi-Ming Shao Yi-Zhou Jiang Department of Breast Surgery Fudan University Shanghai Cancer CenterKey Laboratory of Breast Cancer in ShanghaiDepartment of OncologyShanghai Medical CollegeFudan UniversityShanghai 200032China

Triple-negative breast cancer(TNBC)remains the most aggressive cluster of all breast cancers,which is due to its rapid progression,high probabilities of early recurrence,and distant metastasis resistant to standard *** the advances in cancer genomics and transcriptomics that can illustrate the comprehensive profiling of this heterogeneous disease,it is now possible to identify different subclasses of TNBC according to both intrinsic signals and extrinsic microenvironment,which have a huge influence on predicting response to established therapies and picking up novel therapeutic targets for each *** this review,we summarize basic characteristics and critical subtyping systems of TNBC,and particularly discuss newly found prospective targets and relevant medications,which were proved promising in clinical trials,thus shedding light on the future development of precision treatment strategies.

关键词： triple-negative breast cancer molecular subtype targeted therapy precision medicine

Evaluation and improvement of pearlite microstructure and mechanical properties in 45Cr4NiMoV and 50Cr5NiMoV steels

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Journal of Iron and Steel Research International 2022年第12期29卷 1995-2005页

作者： Kai-quan Liu Xue-jiao Zhang Xiao-yang song Lin Zhao Lin Zhu State Key Laboratory of Metastable Materials Science and Technology Yanshan UniversityQinhuangdao 066004HebeiChina Tianjin Heavy Industries Research&Development Co. Ltd.CFHITianjin 300457China China First Heavy Industry Qiqihar 161042HeilongjiangChina Central Iron and Steel Research Institute Co. Ltd.Beijing 100081China

The microstructure and mechanical properties of pearlite in 45Cr4NiMoV and 50Cr5NiMoV steels were studied and *** microstructural characteristics of pearlite of two steels were carefully examined by optical microscopy,scanning electron microscopy and transmission electron microscopy(TEM),and the type,size and relative amount of extracted carbide particles were analyzed by X-ray diffraction and TEM coupled with selected area electron *** hardness,tensile property,impact and fracture toughness of pearlite of two steels were also ***,the carbide dissolution kinetics of 45Cr4NiMoV and 50Cr5NiMoV steels were *** results indicated that the carbides in 50Cr5NiMoV steel exhibited higher dissolution temperature than those in 45Cr4NiMoV steel,which induced different morphologies of pearlite after eutectoid *** to the pearlite with lamellar M_(23)C_(6)carbides in 45Cr4NiMoV steel,the pearlite with the mixture of spheroidized M_(7)C_(3)and lamellar M_(23)C_(6)carbides in 50Cr5NiMoV steel possessed higher impact and plane-strain fracture toughness but lower hardness and strength,because different pearlite morphologies led to different mechanical *** order to further improve the comprehensive properties of the steels,the fraction of M_(7)C_(3)for the material with acceptable properties was examined and dissolution kinetic of M_(7)C_(3)was ***,the austenitizing temperature and holding time could be appropriately selected to keep enough undissolved M_(7)C_(3)in the steels.

关键词： Microstructure Carbide Back-up roll Mechanical property Toughness Spheroidization

Overlapping Community Detection in Complex Networks based on the Boundary Information of Disjoint Community

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Overlapping Community Detection in Complex Networks based on...

Assembly of highly efficient aqueous light-harvesting system from sequence-defined peptoids for cytosolic microRNA detection

第25届中国控制与决策会议

作者： Yun Li Gang Liu song-yang Lao Information system and management college National University of Defense Technology

ISBN: (纸本)9781467355339

We propose an algorithm for overlapping detection in complex networks based on the boundary information of disjoint community. For a boundary node, it connects several disjoint communities. The algorithm computes the sharpness variations of their boundaries caused by the boundary node. It judges whether the boundary node belongs to multi-communities synchronously. Then the overlapping nodes among the disjoint communities can be found. Moreover, the overlapping ratio of complex networks can be controlled by parameter r of the algorithm. This is useful to reveal the overlapping communities of complex networks hierarchically to some extent. In experimental tests using an artificial random network and three real networks, the algorithm is proved to be simple and feasible, and it can detect overlapping communities in complex networks flexibly and effectively.

关键词： Complex Networks Community Detection Overlapping Community Disjoint Community Boundary

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Nano Research 2024年第2期17卷 788-796页

作者： yang song Xiaoli Cai Mingming Wang Dan Du Yuehe Lin Chun-Long Chen Department of Mechanical and Materials Engineering Washington State UniversityPullmanWA 99164USA Division of Physical Sciences Pacific Northwest National LaboratoryRichlandWA 99352USA Department of Chemical Engineering University of WashingtonSeattleWA 98195USA

Precisely controlled spatial distributions of artificial light-harvesting systems in aqueous media are of significant importance for mimicking natural light-harvesting systems;however,they are often restrained by the solubility and the aggregation-caused quenching effect of the hydrophobic ***,we report one highly efficient artificial light-harvesting system based on peptoid nanotubes that mimic the hierarchical cylindrical structure of natural *** high crystallinity of these nanotubes enabled the organization of arrays of donor chromophores with precisely controlled spatial distributions,favoring an efficient Förster resonance energy transfer(FRET)process in aqueous *** FRET system exhibits an extremely high efficiency of 98.6%with a fluorescence quantum yield of 40%and an antenna effect of *** further demonstrated the use of this artificial light-harvesting system for quantifying miR-210 within cancer *** fluorescence intensity ratio of donor to acceptor is linearly related to the concentration of intercellular miR-210 in the range of 3.3–156 copies/*** high sensitivity in intracellular detection of miR-210 using this artificial light-harvesting system offers a great opportunity and pathways for biological imaging and detection,and for the further creation of microRNA(miRNA)toolbox for quantitative epigenetics and personalized medicine.

关键词： light-harvesting peptoid nanotube Förster resonance energy transfer intracellular RNA detection

Silica Nanoparticle Exposure Caused Brain Lesion and Underlying Toxicological Mechanism:Route-Dependent Bio-Corona Formation and GSK3βPhosphorylation Status

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Environment & Health 2024年第2期2卷 76-84页

作者： Wei Wei Bingwei yang Xiangyu Zhu Xuting Liu Erqun song yang song State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesHaidian DistrictBeijing 100085China Key Laboratory of Luminescence Analysis and Molecular Sensing(Southwest University) Ministry of EducationCollege of Pharmaceutical SciencesSouthwest UniversityBeibei DistrictChongqing 400715China

When nanoparticles(NPs)enter a physiological environment,they tend to adsorb proteins to form a so-called corona.A comprehensive understanding of the effect of protein corona on NPs’toxicity is *** previous study indicated that silica nanoparticles(SiO_(2)NPs)exposure with different routes resulted in distinct brain damage;however,an exact molecular mechanism of protein corona on the regulation of SiO_(2)NPsinduced damages needs further ***_(2)NPs exposure via intravenous injection may encounter a protein-rich bio-matrix,which drives the adsorption of serum protein on their surface to form a stable SiO_(2)NPs@serum *** the contrary,SiO_(2)NPs exposure via intranasal instillation remained their original feature,due to a protein infertile environment of cerebrospinal ***,surface adsorption of proteinaceous substances altered inherent toxic behavior of SiO_(2)*** addition,glycogen synthase kinase 3 beta(GSK3β)phosphorylate was found at different residues,which play an essential role in orchestrating apoptosis and autophagy ***-dependent corona formation determined GSK3βphosphorylation status and ultimately the toxic behavior of SiO_(2)*** work presented the evidence of biocorona on the regulation of SiO_(2)NPs-induced toxicity,which can be used to guide risk assessment of environmental NPs.

关键词： silica nanoparticle brain damage bio-corona serum GSK3β

Ultra-low Young’s modulus and high super-exchange interactions in monolayer CrN: A promising candidate for flexible spintronic applications

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Chinese Physics B 2021年第4期30卷 459-464页

作者： yang song Yan-Fang Zhang Jinbo Pan Shixuan Du Institute of Physics and School of Physical Sciences University of Chinese Academy of SciencesChinese Academy of SciencesBeijing 100190China

Monolayer CrN has been predicted to be half-metallic ferromagnet with high Curie *** to bulk CrN’s biocompatibility,the monolayer is a promising candidate for bio-related ***,using first-principles calculations based on density functional theory,we find that the formation energy of the bulk CrN stacking from layers with square lattice is only 68 meV/atom above the convex hull,suggesting a great potential to fabricate the monolayer CrN in a square lattice by using molecular beam epitaxy *** monolayer CrN is then proved to be a soft material with an ultra-low Young’s modulus and can sustain very large ***,the analysis of the projected density of states demonstrates that the ferromagnetic half-metallicity originates from the splitting of Cr-d orbitals in the CrN square crystal field,the bonding interaction between Cr-N,and that between Cr-Cr *** is worth noting that the super-exchange interaction is much larger than the direct-exchange interaction and contributes to the ultra-high Curie temperature,which is obtained from Monte Carlo simulations based on Heisenberg *** findings suggest that the monolayer CrN can be an indispensable candidate for nanoscale flexible spintronic applications with good biocompatibility and is considerable appealing to be realized in experiment.

关键词： monolayer Cr N half-metallic ferromagnet flexible material spintronics