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Non-crossing Quantile Regression Neural Network as a Calibration Tool for Ensemble Weather Forecasts

Advances in Atmospheric Sciences 2024年第7期41卷 1417-1437页

作者： Mengmeng SONG Dazhi YANG Sebastian LERCH Xiang'ao XIA Gokhan Mert YAGLI Jamie M.BRIGHT Yanbo SHEN Bai liu Xingli liu Martin Janos MAYER School of Electrical Engineering and Automation Harbin Institute of TechnologyHarbin150001China Heidelberg Institute for Theoretical Studies Schloss-Wolfsbrunnenweg 3569118HeidelbergGermany Chair of Statistical Methods and Econometrics Karlsruhe Institute of Technology(KIT)Bluecherstr.1776185KarlsruheGermany Key Laboratory of Middle Atmosphere and Global Environment Observation Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing100029China Solar Energy Research Institute of Singapore(SERIS) National University of Singapore(NUS)Singapore117574Singapore UK Power Networks LondonSE61NPUK China Meteorological Administration Beijing100081China Heilongjiang Meteorological Bureau Harbin150001China Department of Energy Engineering Faculty of Mechanical EngineeringBudapest University of Technology and EconomicsMűegyetem rkp.3H-1111BudapestHungary

Despite the maturity of ensemble numerical weather prediction(NWP),the resulting forecasts are still,more often than not,*** such,forecast calibration tools have become *** those tools,quantile regression(QR)is highly competitive in terms of both flexibility and predictive ***,a long-standing problem of QR is quantile crossing,which greatly limits the interpretability of QR-calibrated *** this point,this study proposes a non-crossing quantile regression neural network(NCQRNN),for calibrating ensemble NWP forecasts into a set of reliable quantile forecasts without *** overarching design principle of NCQRNN is to add on top of the conventional QRNN structure another hidden layer,which imposes a non-decreasing mapping between the combined output from nodes of the last hidden layer to the nodes of the output layer,through a triangular weight matrix with positive *** empirical part of the work considers a solar irradiance case study,in which four years of ensemble irradiance forecasts at seven locations,issued by the European Centre for Medium-Range Weather Forecasts,are calibrated via NCQRNN,as well as via an eclectic mix of benchmarking models,ranging from the naïve climatology to the state-of-the-art deep-learning and other non-crossing *** and stringent forecast verification suggests that the forecasts post-processed via NCQRNN attain the maximum sharpness subject to calibration,amongst all ***,the proposed conception to resolve quantile crossing is remarkably simple yet general,and thus has broad applicability as it can be integrated with many shallow-and deep-learning-based neural networks.

关键词： ensemble weather forecasting forecast calibration non-crossing quantile regression neural network CORP reliability diagram post-processing

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Directly targeting BAX for drug discovery:Therapeutic opportunities and challenges

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Acta Pharmaceutica Sinica B 2024年第6期14卷 2378-2401页

作者： Zhenwei Zhang Linghui Hou Dan liu Shenglin Luan Min Huang Linxiang Zhao Key Laboratory of Structure-Based Drugs Design&Discovery of Ministry of Education Shenyang Pharmaceutical UniversityShenyang 110016China China Resources Sanjiu Medical&Pharmaceutical Co. Ltd.Shenzhen 518000China

For over two decades,the development of B-cell lymphoma-2(Bcl-2)family therapeutics has primarily focused on anti-apoptotic proteins,resulting in the first-in-class drugs called BH3 mimetics,especially for Bcl-2 inhibitor *** pro-apoptotic protein Bcl-2-associated X protein(BAX)plays a crucial role as the executioner protein of the mitochondrial regulated cell death,contributing to organismal development,tissue homeostasis,and *** dysregulation of BAX is closely associated with the onset and progression of diseases characterized by pathologic cell survival or death,such as cancer,neurodegeneration,and heart *** addition to conducting thorough investigations into the physiological modulation of BAX,research on the regulatory mechanisms of small molecules identified through biochemical screening approaches has prompted the identification of functional and potentially druggable binding sites on BAX,as well as diverse all-molecule BAX *** review presents recent advancements in elucidating the physiological and pharmacological modulation of BAX and in identifying potentially druggable binding sites on ***,it highlights the structural and mechanistic insights into small-molecule modulators targeting diverse binding surfaces or conformations of BAX,offering a promising avenue for developing next-generation apoptosis modulators to treat a wide range of diseases associated with dysregulated cell death by directly targeting BAX.

关键词： Apoptosis Pro-apoptotic protein BAX Dynamic conformational activation Small-molecule apoptosis modulators

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Pyruvate kinase M in germ cells is essential for sperm motility and male fertility but not spermatogenesis

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Asian Journal of Andrology 2024年第2期26卷 212-219页

作者： Gao-Qing Qian Xiao-Chen Wang Xi Zhang Bin Shen Qiang liu State Key Laboratory of Reproductive Medicine and Offspring Health Nanjing Medical UniversityNanjing 211166China Shanghai Key Laboratory of Reproductive Medicine Department of HistoembryologyGenetics and Developmental BiologyShanghai Jiao Tong University School of MedicineShanghai 200025China State Key Laboratory of Molecular Biology Shanghai Key Laboratory of Molecular AndrologyShanghai Institute of Biochemistry and Cell BiologyCenter for Excellence in Molecular Cell ScienceChinese Academy of SciencesUniversity of Chinese Academy of SciencesShanghai 200031China

Male germ cells employ specific metabolic pathways throughout their developmental *** a previous study,we discovered heightened expression of pyruvate kinase M(PKM),a pivotal glycolytic enzyme,in spermatogonia and *** gain deeper insights into PKM's roles in spermatogenesis,sperm function,and male fertility,we engineered a conditional-knockout mouse model(Pkm-vkO mice)to selectively disrupt the Pkm gene within germ *** maintaining regular testicular histology and sperm morphology,the male Pkm-vko mice were infertility,characterized by significant impairments in sperm motility and adenosine triphosphate(ATP)*** addition,Pkm-null spermatozoa exhibited similar deficits in protein tyrosine phosphorylation linked to capacitation,as well as compromised performance in in vitro fertilization *** conclude,PKM's presence is not obligatory for the entirety of spermatogenesis in male germ cells;however,it emerges as a critical factor influencing sperm motility and overall male fertility.

关键词： glycolysis male fertility pyruvate kinase M sperm motility spermatogenesis

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A mite parasitoid,Pyemotes zhonghuajia,negatively impacts the fitness traits and immune response of the fall armyworm,Spodoptera frugiperda

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Journal of Integrative Agriculture 2024年第1期23卷 205-216页

作者： Yanfei Song Tai’an Tian Yichai Chen Keshi Zhang Maofa Yang Jianfeng liu Institute of Entomology Guizhou Provincial Key Laboratory for Agricultural Pest Management of the Mountainous RegionGuizhou University/Scientific Observing and Experiment Station of Crop Pests in GuiyangMinistry of Agriculture and Rural AffairsGuiyang 550025China Administration of Guizhou Fanjingshan National Nature Reserve Jiangkou 554400China Centre for Biodiversity and Biosecurity School of Biological SciencesThe University of AucklandAuckland 1072New Zealand College of Tobacco Science Guizhou UniversityGuiyang 550025China

Parasitoids are key regulators in ecological communities and widely used as agents in biocontrol *** fall armyworm,Spodoptera frugiperda,recently invaded multiple continents and caused substantial economic losses in *** zhonghuajia,a newly identified mite parasitoid,has shown potential for controlling various agricultural insect ***,this study tested the performance of *** in parasitising *** also investigated the sublethal effects of parasitism by *** on host fitness traits,transgenerational impacts,and cellular and humoral *** result showed that the fifth-instar larvae of *** parasitised by 40 *** were all dead(i.e.,a lethal effect),while parasitism by 5 or 10 *** was considered sublethal since many *** survived to adulthood and produced offspring after *** sublethal influences from parasitism by *** resulted in reduced pupal weight,adult emergence rate and fecundity,but increased developmental time and *** at both lethal(40 mites)and sublethal(10 mites)levels impaired the cellular and humoral immunity of *** study presents the first empirical evidence that mite parasitoids can negatively influence host ***,it provides insights into the biocontrol potential of mite parasitoids and their interactions with hosts.

关键词： Pyemotes zhonghuajia Spodoptera frugiperda immunity parasitically-induced influence biocontrol parasitoid

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太赫兹金属线波导传输特性实验研究及模拟分析

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物理学报 2024年第11期73卷 155-163页

作者：徐振罗曼李吉宁刘龙海徐德刚天津大学精密仪器与光电子工程学院天津300072 天津大学光电信息技术教育部重点实验室天津300072 爱德万测试(中国)管理有限公司上海201203

太赫兹波介于微波与红外之间,当前太赫兹波主要在自由空间中传输,金属线波导以低损耗、低色散等突出的传输特性被广泛关注.本研究首先根据太赫兹波在不同金属线表面的趋肤深度选择铜线作为研究对象,然后基于太赫兹时域光谱系统搭建可调... 详细信息

太赫兹波介于微波与红外之间,当前太赫兹波主要在自由空间中传输,金属线波导以低损耗、低色散等突出的传输特性被广泛关注.本研究首先根据太赫兹波在不同金属线表面的趋肤深度选择铜线作为研究对象,然后基于太赫兹时域光谱系统搭建可调节式金属线波导传输特性测试光路,采集到通过不同半径、不同长度、不同端口状态的单/双铜线传输的时域信号,最后利用有限元方法对不同半径、不同形变程度的单/双根铜线在空气域的传输特性进行仿真.实验结果表明,传输损耗会随着铜线长度的增加而增加,金属线越细传输速度越慢,端口形态对传输特性的影响不如长度变化对传输特性的影响明显,双金属线越粗传输速度越快.仿真结果表明,太赫兹波在单根金属线上传输时,电场主要分布在金属线表面,金属线越细表面等离激元的模场面积越小;当金属线形变成椭圆时,模场主要分布在长轴两端;当太赫兹波在双金属线中传输时,模场主要分布在两根金属线中间,且距离越远模场面积越小.本研究结合实验与仿真分析方法对单、双金属线的太赫兹传输特性进行研究,为后续开发高效太赫兹金属波导提供参考.

关键词：太赫兹时域光谱金属线波导表面等离激元

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新型钍基类MOX燃料的制备和第一性原理研究

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原子能科学技术 2024年第10期58卷 2189-2197页

作者：赵石魏强林刘义保刘豪杰李凯旋东华理工大学核技术应用教育部工程研究中心江西南昌330013 东华理工大学核科学与工程学院江西南昌330013 东华理工大学江西省质谱科学与仪器重点实验室江西南昌330013

为研究钍基类MOX(Th-MOX)燃料Th_(1-x)Pu_(x)O_(2)的结构及性质,以性质相近的Ce原子替代Pu原子,采用溶胶-凝胶法在不同烧结温度下制备了Th_(1-x)Ce_(x)O_(2)(x=0,0.25,0.50,0.75,1),利用XRD、SEM和拉曼光谱仪对其形貌和结构进行了表征,同时采用基于密度泛函理论的第一性原理计算软件VASP计算了Th_(1-x)Ce_(x)O_(2)的晶格常数和电子态密度。实验结果表明:制备得到的Th_(1-x)Ce_(x)O_(2)在致密性和颗粒均匀性方面表现出良好的性能。随烧结温度的升高,密度先增大后减小(最高达到理论密度的98.4%),晶界迁移使晶粒尺寸增大。混合氧化物在形成的过程中晶格中产生了氧缺位,随着体系中Th含量的增加,晶粒尺寸减小、能量带隙增大、导带宽度减小,Th原子的局域态密度增大,Ce原子的局域态密度减小,原子半径的差异导致晶格常数、Th—O键和Ce—O键的平均键长增大,Th_(1-x)Ce_(x)O_(2)晶格常数的计算值与实验值吻合良好。

关键词：钍基类MOX燃料溶胶-凝胶法第一性原理态密度

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Effects of rare earth elements on inclusions, microstructure and impact toughness of spring steel

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Journal of Iron and Steel Research International 2024年第4期31卷 933-944页

作者： Chun-lei Hao Chao-yun Yang Peng liu Yi-kun Luan Bao-guang Sang Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016LiaoningChina School of Mechanical Engineering and Automation Dalian Polytechnic UniversityDalian 116034LiaoningChina

Spring steel is an indispensable basic part manufacturing material in mechanical equipment,which is widely used in transportation tools such as automobiles,railways,construction machinery and other *** effects of rare earth(RE)on inclusions,microstructure,carbides and impact toughness of 50CrV spring steel were studied by means of optical microscope,scanning electron microscope,transmission electron microscope and impact *** results show that the addition of rare earth can modify the main MnS and Al_(2)O_(3) inclusions in steel to form spherical or near-spherical rare earth inclusions,and the size of inclusions is significantly *** the quenched structure,the size of martensite slab becomes smaller and the structure is *** tempering,the carbide changes from sheet to ellipse,which makes it easier for spring steel to form stress concentration cracks under *** becomes finer and more dispersed,which leads to better pinning of grain boundaries and smaller grain *** impact toughness of 50CrV-RE spring steel increased from 21 to 41 J by 95%due to the improvement of inclusions,microstructure and carbides by rare *** is possible to improve the strength and toughness of spring steel for the improvement of railway running speed and the development of vehicle lightweight in China.

关键词： Rare earth-Spring steel Inclusion Microstructure Impact toughness

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Syntheses of new di-nuclear and tetra-nuclear lanthanide 9-anthracenecarboxylates:Magnetocaloric effect,slow magnetic relaxation and luminescent properties

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Journal of Rare Earths 2024年第6期42卷 1101-1109,I0004页

作者： Xing liu Ruonan Yang Lu Zhang Jian Zhou Chunmei Huang Huahong Zou Zunhong Xiao Chongqing Key Laboratory of Inorganic Functional Materials College of ChemistryChongqing Normal UniversityChongqing401331China Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources(Ministry of Education of China) School of Chemistry and Chemical Engineering of Guangxi Normal UniversityGuilin541004China School of Chemistry and Materials Guizhou Normal UniversityGuiyang550025China

Lanthanide complex-based materials with magnetic and luminescent properties have received a great deal of attention,owing to their importantly potential applications in diverse *** this work,the 9-anthracenecarboxylic acid(9-Haca)as bridging ligand was applied in combination with optically activeπ-conjugated 2,4,6-tri(2-pyridyl)-1,3,5-triazine(tptz)to construct a series of new di-nuclear and tetranuclear lanthanide 9-anthracenecarboxylates[La_(2)(9-aca)_(6)(tptz)_(2)(μ-H_(2)O)]·0.25H_(2)O(1),[Ln_(2)(9-aca)_(6)(tptz)_(2)(H_(2)O)_(2)]·0.5AQ·CH_(3)COOH_(2)H_(2)O[Ln=Sm(2a),Eu(2b),Gd(2c),Tb(2d),Dy(2e),Tm(2f);AQ=9,10-anthracenedione]and[Ln_(4)(9-aca)_(10)(tptz)_(2)(CH3COO)2]·H_(2)O[Ln=Eu(3a),Gd(3b),Dy(3c)].1 displays a di-nuclear centrosymmetric moiety[La_(2)(9-aca)_(6)(tptz)_(2)(μ-H_(2)O)]built up from two complex[La(9-aca)_(2)(tptz)]groups bridged by one H_(2)O molecule and two syn-syn-μ2-η1:η1-9-aca-bridging ligands,while 2a-2f are isostructural and co mprise another di-nuclear centrosymmetric moieties[Ln_(2)(9-aca)_(6)(tptz)_(2)(H_(2)O)_(2)]based on two complex[Ln(9-aca)_(2)(tptz)(H_(2)O)]groups connected by two syn-syn-μ2-η1:η1-9-aca-bridging ligands,3a-3c are isostructural and show tetra-nuclear centro symmetric moieties[Ln4(9-aca)10(tptz)2(CH3COO)2]containing three types of coordination modes of *** present compounds offer the only examples of lanthanide 9-anthracenecarboxylates decorated by optically active *** investigations of 2a,2c-2f,and 3b-3c indicate that 3c is typical of slow relaxation of the magnetization,while 2c and 3b show significant magnetocaloric effect(MCE)with the value of-ΔSm of 5.26 J/(kg·K)at 4 K and 15.65 J/(kg·K)at 2 K(ΔH=7 T),*** luminescent properties were also studied and reveal that the characteristic luminescent properties of the 7r-conjugated aromatic ligands are introduced into magnetic lanthanide 9-anthracenecarboxylates,simultaneously exhibiting slow magnetic relaxation(or MCE)and luminescen

关键词： Lanthanide complexes Luminescence Magnetic properties Magnetocaloric effect Slow magnetic relaxation Rare earths

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A New Excess Free Energy Mixing Rule for Representing Vapor-Liquid Equilibria of Mixed Refrigerants

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Journal of Thermal Science 2024年第3期33卷 1161-1173页

作者： YE Gongran FANG Yibo YAN Yuhao liu Ying OUYANG Hongsheng GUO Zhikai HAN Xiaohong Key Laboratory of Refrigeration and Cryogenic Technology of Zhejiang Province Institute of Refrigeration and CryogenicsZhejiang UniversityHangzhou310027China State Key Lab for Fluorine Greenhouse Gases Replacement and Control Treatment Zhejiang Research Institute of Chemical IndustryHangzhou310014China Zhejiang Key Laboratory of Clean Energy and Carbon Neutrality Zhejiang UniversityHangzhou310027China

A suitable mixing rule is important for vapor liquid equilibrium(VLE)investigations for mixed *** this work,a new excess free energy mixing rule(MRv)was proposed at zero pressure based on the linear relationship between dimensionless parameter 1/(u-1)and *** mixing rule was explicit adopted variable liquid molar *** applicable temperature range of MRv could be extended by means of an empirical method to estimate the liquid molar volume for components at high *** mixing rules modified Huron-Vidal mixing rule(MHV1),Wong-Sandler mixing rule(WS),and MRv at two reference pressures were used to compare the VLE data in the calculation of 37 mixed *** demonstrated that MRv had a relatively similar accuracy to MHV1 and WS for component and pressure ***,the average excess Gibbs free energy using the MRv mixing rule for the 37 selected mixed refrigerants(0.0013)was much lower than those using the MHV1(0.0078)and WS(0.0809)mixing rules,which was very valuable for the design and optimization of thermodynamic systems using mixed refrigerants.

关键词： mixed refrigerant vapor liquid equilibrium(VLE) mixing rule reproducibility

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Study on the Spatiotemporal Pattern Evolution and Influencing Factors of Population Aging in Henan Province

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Journal of Geodesy and Geoinformation Science 2024年第2期7卷 80-94页

作者： liu Dingming DU Jiusheng WANG Yu YANG Junping School of Surveying and Land Information Engineering Henan Polytechnic UniversityJiaozuo 454003China

This study utilized census data from Henan Province for the years 2000,2010,and 2020 to investigate the spatiotemporal evolution of population aging,defined by the proportion of the population aged 65 and *** spatial analysis techniques such as spatial autocorrelation and the standard deviation ellipse,the research mapped out the progression and distribution of aging ***,the study delved into the influencing factors of aging using an optimal parameters-based geographical *** indicate a deepening degree of population aging in Henan Province,transitioning from an adult type to an old type *** is a marked positive spatial correlation among counties,with high-value aging areas initially decreasing,then increasing,and notably spreading from the central to the central and southern regions of the *** center of gravity for population aging,specifically around Changge City and Xuchang City,exhibits a trajectory moving southeast before shifting *** detection reveals that in 2000,2010,and 2020,the elderly dependency ratio predominantly influences the aging trend,with explanatory powers of 88.4%,87.9%,and 90.9%,*** analysis indicates that the interaction between the old-child ratio and the elderly dependency ratio has a strong explanatory power for the aging patterns in Henan Province,reaching 97.3%,97.0%,and 97.4%,respectively.

关键词： population aging spatial pattern evolution spatial autocorrelation influencing factors optimal parameters-based geographical detector

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