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Rapid discovery of two unprecedented meroterpenoids from Daphne altaica *** molecular networking integrated with MolNetEnhancer and Network Annotation Propagation

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Chinese Chemical Letters 2024年第8期35卷 294-298页

作者： Wei-Yu Zhou zi-han xi Ning-Ning Du Li Ye Ming-Hao Jiang Jin-Le Hao Bin Lin Guo-Dong Yao xiao-xiao Huang Shao-Jiang Song Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research&Development Liaoning ProvinceEngineering Research Center of Natural Medicine Active Molecule Research&DevelopmentLiaoning ProvinceKey Laboratory of Natural Bioactive Compounds Discovery&ModificationShenyangSchool of Traditional Chinese Materia Medic1Shenyang Pharmaceutical UniversityShenyang 110016China Key Laboratory of Structure-Based Drug Design and Discovery of Ministry of Education Shenyang Pharmaceutical UniversityShenyang 110016China Wuya College of Innovation Shenyang Pharmaceutical UniversityShenyang 110016China

Under the guidance of the approach which integrates molecular networking,MolNetEnhancer and Net-work Annotation Propagation(NAP),daphnaltaicanoids A and B(1 and 2)with unprecedented 9-oxa-tetracyclo[6.***.1.0^(2,6).0^(8,13)]pentadecane and tetracyclo[5.***.0.1^(2,5).2^(4,11)]tridecane central frameworks were iso-lated from Daphne altaica Pall.,representing two types of unparalleled meroterpenoid *** struc-tures were elucidated by extensive spectroscopic analysis,nuclear magnetic resonance(NMR)calcula-tions,DP4+analysis and electronic circular dichroism(ECD)*** plausible biosynthetic path-ways for 1 and 2 were ***,2 exerted potent neuroprotective activities which were su-perior to trolox at 12.5 and 25μmol/***,1 and 2 exhibited more noticeable acetylcholinesterase inhibitory activities than *** docking simulations were performed to explore the inter-molecular interaction of compounds 1 and 2 with *** bioactivity evaluation results highlight the prospects of 1 and 2 as a novel category of neurological agents.

关键词： Daphne altaica Pall. Molecular networking MolNetEnhancer NAP Unprecedented meroterpenoid frameworks Neuroprotective activities Acetylcholinesterase inhibitors

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A Metabolic-associated Nomogram Predicts Recurrence Survival of Thyroid Cancer

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Current Medical Science 2021年第5期41卷 1004-1011页

作者： zi-han xi xian-xiong MA Heng-yu CHEN Yuan-hang YU Lei LI Tao HUANG department of Breast and Thyroid Surgery Union HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430022China Depcirtment of Gastrointestinal Surgery Union HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430022China Department of Pancreatic Surgery Union HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430022China NHC Key Laboratory of Hormones and Development Tianjin Institute of EndocrinologyTianjin Medical University Chu Hsien-I Memorial HospitalTianjin 300134China

Objective:Various studies have suggested that metabolic genes play a significant role in papillary thyroid cancer(PTC).The current study aimed to identify a metabolic signature related biomarker to predict the prognosis of patients with ***:We conducted a comprehensive analysis on the data obtained from the Cancer Genome Atlas(TCGA)*** correlation between survival result and metabolic genes was evaluated based on the univariate Cox analyses,least absolute shrinkage and selection operator(LASSO)and multivariate Cox *** performance of a 7-gene signature was assessed according to Kaplan-Meier and receiver operating characteristic(ROC)*** Cox regression analysis was adopted to unearth clinical factors related to the recurrence free survival(RFS)of patients with ***,a prognostic nomogram was developed based on risk score,cancer status and cancer width to improve the prediction for RFS of PTC ***:Seven metabolic genes were used to establish the prognostic *** ROC curve and C-index exhibited high value in training,testing and the whole TCGA *** established nomogram,incorporating the 7-metabolic gene signature and clinical factors,was able to predict the RFS with high *** 7-metabolic gene signature-based nomogram had a good performance to predict the RFS of patients with ***:Our study identified a 7-metabolic gene signature and established a prognostic nomogram,which were useful in predicting the RPS of PTC.

关键词： signature metabolism papillary thyroid cancer recurrence free survival nomogram

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A Generalized Blow up Criteria with One Component of Velocity for 3D Incompressible MHD System

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Chinese Annals of Mathematics,Series B 2024年第2期45卷 253-264页

作者： Bin han xi xiONG Department of Mathematics Hangzhou Dianzi UniversityHangzhou 310018China

In this paper,the authors study the global regularity of the 3D magnetohydrodynamics system in terms of one velocity *** particular,they establish a new Prodi-Serrin type regularity criterion in the framework of weak ... 详细信息

关键词： MHD Regularity Blow-up criterion

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Thermodynamic and experimental study of high-temperature roasting of blast furnace gas ash for recovery of metallic zinc and iron

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Journal of Iron and Steel Research International 2024年第1期31卷 108-120页

作者： zi-han Wang Jing Guo han-jie Guo Bin Li School of Metallurgical Engineering University of Science and Technology BeijingBeijing100083China School of Metallurgical Engineering Xi’an University of Architecture and TechnologyXi’an710055ShaanxiChina

A high-temperature reduction roasting method was used to achieve metallic iron and zinc recovery from blast furnace gas ash(BFA).The reduction processes for Zn-containing and Fe-containing oxides were analyzed in detail by using ther-modynamic equilibrium calculation and the principle of minimum free *** results showed that the main reaction in the system is the reduction of ZnFe_(2)_(4)and iron *** the full temperature range,iron oxides were more easily reduced than zinc *** of the amount of CO contained in the system,the reduction of ZnO to Zn was difficult to proceed below the boiling point(906℃)of *** the reduction temperature is below 906℃,the reduction process of zinc ferrate was ZnFe_(2)_(4)→ZnO;when the reduction temperature is above 906℃,its reduction process becomed ZnFe_(2)_(4)→ZnO→Zn(g).The metallization and dezincification rates of the BFA gradually increased with increasing reaction *** the C/O ratio increased,the metallization and dezincification rates first increased and then *** effect of reduction time on BFA reduction was similar to that of reaction temperature.

关键词： Blast furnace gas ash Thermodynamics zinc removal Iron reduction High-temperature reduction roasting Integrated utilization

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An Interpolation Method for Karhunen-Loève Expansion of Random Field Discretization

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工程与科学中的计算机建模(英文) 2024年第1期138卷 245-272页

作者： zi han Zhentian Huang Department of Engineering Mechanics Hohai UniversityNanjing211100China College of Civil and Transportation Engineering Shenzhen UniversityGuangdong Provincial Key Laboratory of Deep Earth Sciences and Geothermal Energy Exploitation and UtilizationInstitute of Deep Earth Sciences and Green EnergyShenzhenChina

In the context of global mean square error concerning the number of random variables in the representation,the Karhunen–Loève(KL)expansion is the optimal series expansion method for random field *** computational efficiency and accuracy of the KL expansion are contingent upon the accurate resolution of the Fredholm integral eigenvalue problem(IEVP).The paper proposes an interpolation method based on different interpolation basis functions such as moving least squares(MLS),least squares(LS),and finite element method(FEM)to solve the *** with the Galerkin method based on finite element or Legendre polynomials,the main advantage of the interpolation method is that,in the calculation of eigenvalues and eigenfunctions in one-dimensional random fields,the integral matrix containing covariance function only requires a single integral,which is less than a two-folded integral by the Galerkin *** effectiveness and computational efficiency of the proposed interpolation method are verified through various one-dimensional ***,based on theKL expansion and polynomial chaos expansion,the stochastic analysis of two-dimensional regular and irregular domains is conducted,and the basis function of the extended finite element method(XFEM)is introduced as the interpolation basis function in two-dimensional irregular domains to solve the IEVP.

关键词： Random field discretization KL expansion IEVP MLS FEM stochastic analysis

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Boosting Hydrogen Storage Performance of MgH_(2) by Oxygen Vacancy-Rich H-V_(2)O_(5) Nanosheet as an Excited H-Pump

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Nano-Micro Letters 2024年第8期16卷 398-416页

作者： Li Ren Yinghui Li zi Li xi Lin Chong Lu Wenjiang Ding Jianxin Zou National Engineering Research Center of Light Alloys Net Forming&State Key Laboratory of Metal Matrix Composites Shanghai Jiao Tong UniversityShanghai 200240People’s Republic of China Shanghai Engineering Research Center of Mg Materials and Applications&School of Materials Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240People’s Republic of China Center of Hydrogen Science Shanghai Jiao Tong UniversityShanghai 200240People’s Republic of China Instrumental Analysis Center of SJTU Shanghai Jiao Tong UniversityShanghai 200240People’s Republic of China

MgH_(2) is a promising high-capacity solid-state hydrogen storage material,while its application is greatly hindered by the high desorption temperature and sluggish ***,intertwined 2D oxygen vacancy-rich V_(2)O_(5) nanosheets(H-V_(2)O_(5))are specifically designed and used as catalysts to improve the hydrogen storage properties of MgH_(2).The as-prepared MgH_(2)-H-V_(2)O_(5) composites exhibit low desorption temperatures(Tonset=185℃)with a hydrogen capacity of 6.54 wt%,fast kinetics(Ea=84.55±1.37 kJ mol^(-1) H_(2) for desorption),and long cycling ***,hydrogen absorption can be achieved at a temperature as low as 30℃ with a capacity of 2.38 wt%within 60 ***,the composites maintain a capacity retention rate of~99%after 100 cycles at 275℃.Experimental studies and theoretical calculations demonstrate that the in-situ formed VH_(2)/V catalysts,unique 2D structure of H-V_(2)O_(5) nanosheets,and abundant oxygen vacancies positively contribute to the improved hydrogen sorption ***,the existence of oxygen vacancies plays a double role,which could not only directly accelerate the hydrogen ab/de-sorption rate of MgH_(2),but also indirectly affect the activity of the catalytic phase VH_(2)/V,thereby further boosting the hydrogen storage performance of MgH_(2).This work highlights an oxygen vacancy excited“hydrogen pump”effect of VH_(2)/V on the hydrogen sorption of Mg/MgH_(2).The strategy developed here may pave a new way toward the development of oxygen vacancy-rich transition metal oxides catalyzed hydride systems.

关键词： Hydrogen storage MgH_(2) V_(2)O_(5)nanosheets Oxygen vacancies VH_(2)

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Coordination of distinctive pesticide adjuvants and atomization nozzles on droplet spectrum evolution for spatial drift reduction

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Chinese Journal of Chemical Engineering 2024年第2期66卷 250-262页

作者： Shidong Xue Jingkun han xi xi Zhong Lan Rongfu Wen Xuehu Ma State Key Laboratory of Fine Chemicals Liaoning Key Laboratory of Clean Utilization of Chemical ResourcesInstitute of Chemical EngineeringSchool of Chemical EngineeringDalian University of TechnologyDalian 16024China School of Fashion and Textiles The Hong Kong Polytechnic UniversityHong Kong 999077China China Tianchen Engineering Corporation Tianjin 300400China School of Energy and Power Engineering Dalian University of TechnologyDalian 116024China

Pesticide adjuvants,as crop protection products,have been widely used to reduce drift loss and improve utilization efficiency by regulating droplet ***,the coordinated regulation mechanisms of adjuvants and nozzles on droplet spectrum remain ***,we established the relationship between droplet spectrum evolution and liquid atomization by investigating the typical characteristics of droplet diameter distribution near the *** on this,the regulation mechanisms of distinctive pesticide adjuvants on droplet spectrum were clarified,and the corresponding drift reduction performances were quantitively evaluated by wind tunnel *** shows that the droplet diameter firstly shifts to the smaller due to the liquid sheet breakup and then prefers to increase caused by droplet *** the surface tension of sprayed liquid facilitates the uniform liquid breakup and increasing the viscosity inhibits the liquid deformation,which prolong the atomization process and effectively improve the droplet *** a result,the drift losses of flat-fan and hollow cone nozzles are reduced by about 50%after adding organosilicon and vegetable oil *** contrast,the air induction nozzle shows a superior anti-drift ability,regardless of distinctive *** findings provide insights into rational adjuvant design and nozzle selection in the field application.

关键词： Pesticide drift Spray droplets Particle size distribution Spray atomization Transport processes Adjuvants

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Stable carbon isotope composition and intrinsic water use efficiency in plants along an altitudinal gradient on the eastern slope of Yulong Snow Mountain, China

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Ecological Processes 2024年第2期13卷 218-230页

作者： Feng Jiang Tao Pu zi-Jing Xue Yan-Wei Ma xiao-Yi Shi Fu-xi Shi College of Geography and Environmental Sciences Zhejiang Normal University Yulong Snow Mountain Glacier and Environment Observation and Research Station/State Key Laboratory of Cryospheric Sciences Northwest Institute of Eco-Environment and ResourcesChinese Academy of Sciences Key Laboratory of National Forestry and Grassland Administration on Forest Ecosystem Protection and Restoration of Poyang Lake Watershed College of Forestry Jiangxi Agricultural University

Background Stable carbon isotope composition(δ13Cp) can be used to estimate the changes in intrinsic water use efficiency（iWUE） in plants,which helps us to better understand plants' response strategies to climate *** study focused on the variations in δ13Cpand iWUE for the different life-form plants（i.e.,herbs,shrubs,and trees）along an altitudinal gradient（3300,3600,3900,4100,4300,and 4500 m） on the eastern slope of Yulong Snow Mountain,southeastern margin of the Qinghai-Tibet *** response mechanisms of δ13Cpand iWUE for different life-form plants to altitude were thoroughly analyzed in this mountain *** The δ13Cpvalues of plants on the eastern slopes of Yulong Snow Mountain ranged from-30.4‰to-26.55‰,with a mean of-28.02‰,indicating a dominance of *** δ13Cpand iWUE values varied among different life-form plants in the order of herbs> shrubs> trees,particularly in 3600,3900,and 4300 ***δ13Cpand iWUE values for herbs and shrubs increased with altitude and were mainly controlled by air *** two parameters for trees exhibited a trend of initial decrease followed by an increase with *** 3900 m,the δ13Cpand iWUE values decreased with altitude,influenced by soil ***,above 3900 m,the two parameters increased with altitude,mainly regulated by air *** addition,iWUE was positively correlated with leaf P content but negatively correlated with leaf N:P ratio,especially for herbs and trees,suggesting that P plays a key role in modulating iWUE in this *** The diffe rentiated responses of water availability for different life-form plants to a higher altitudinal gradient are regulated by air temperature,soil moisture,and leaf P content in the Yulong Snow *** results provide valuable insights into understanding the wate r-carbon relationships in high-altitude ecosystems.

关键词： Stable carbon isotope Water use efficiency Altitude Life form Yulong Snow Mountain

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Carbon uptake by cement in China:Estimation and contribution to carbon neutrality goals

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Science China Earth Sciences 2024年第6期67卷 2056-2067页

作者： Mingjing MA zi HUANG Jiaoyue WANG Le NIU Wenfeng ZhanG xiaowei XU Fengming xi Zhu LIU Institute of Applied Ecology Chinese Academy of SciencesShenyang 110016China College of Resources and Environment University of Chinese Academy of SciencesBeijing 100049China Department of Earth System Science Tsinghua UniversityBeijing 100084China Department of Engineering Science University of OxfordOxfordOX13UK

Cement is a widely used construction material *** manufacturing contributes to anthropogenic CO_(2)emissions ***,its alkaline compounds can absorb CO_(2)from the surrounding environment and engage in a carbonation reaction,thereby functioning as a carbon *** a major cement producer and consumer,China has an important responsibility to rigorously investigate and accurately account for cement carbon *** study presents a comprehensive analytical model of cement carbon uptake from China,revealing a substantial increase in carbon uptake from 1930 to 2021,peaking at 426.77 Mt CO_(2)(95% Confidence Interval:317.67-874.33 Mt CO_(2))in *** uptake accounts for 8.10% to 45.40% of China’s annual land sink and 2.51% to 4.54% of the global land *** cumulative carbon uptake by cement is approximately 7.06 Gt CO_(2)(95%CI:5.22–9.44 Gt CO_(2))during this period,offsetting 50.7% of the total emissions(13.91 Gt CO_(2),95%CI:12.44–17.00 Gt CO_(2))from the cement ***,cement mortar contributed to most absorption(65.64%).From a life cycle perspective,the service stage of cement materials is the period where the largest CO_(2)sink is formed,accounting for 90.03% of the ***,the potential for carbon sequestration in cement materials and their waste is ***,the model improves the accuracy of cement carbon accounting,supporting both China and global carbon neutrality ***,it is crucial for China to achieve its carbon neutrality goals sooner by prioritizing the environmental benefits of cement materials and wastes,and accelerating the development and commercialization of CO_(2)sequestration technologies for cement and its by-products.

关键词： Cement Carbon uptake Life cycle assessment Carbon emission reduction Carbon neutrality

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Molecular mechanism for the unusual enhancement of the second-step chemiluminescence production from the carcinogenic tetrabromohydroquinone and H2O_(2)

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Journal of Environmental Sciences 2024年第7期141卷 330-342页

作者： zi-han Wang Chun-Hua Huang Zhi-Sheng Liu Li Mao Ben-Zhan Zhu State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China College of Environment and Resources University of Chinese Academy of SciencesBeijing 100049China

We have found recently that two-step intrinsic hydroxyl radical(·OH)-dependent chemiluminescence(CL)could be produced by carcinogenic tetrahaloquinone and H_(2)O_(2).However,the first-step CL was too fast to clearly detect the stepwise generation of·OH and CL,and to distinguish the exact dividing point between the first-step and second-step *** we found that,extremely clear two-step intrinsic CL could be produced by the relative slow reaction of tetrabromohydroquinone(TBHQ)with H_(2)O_(2),which was directly dependent on the two-step·OH ***,the second-step,but not the first-step CL production of TBHQ/H_(2)O_(2)(CRET donor)was markedly enhanced by fluorescein(a typical xanthene dye,CRET acceptor)through a unique chemiluminescence resonance energy transfer(CRET)*** novel CRET system of TBHQ/H_(2)O_(2)/fluorescein was successfully applied for the sensitive detection of TBHQ with the detection limit as low as 2.5μmol/*** findings will help to develop more sensitive and highly efficient CL or CRET systems and specific CL sensor to detect the carcinogenic haloquinones,which may have broad environmental applications.

关键词： Two-step chemiluminescence Bromohydroquinone Hydrogen peroxide Hydroxyl radical CRET

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