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First-principles study on the electronic structure of Pb_(10−x)Cu_(x)(PO_(4))_(6)O(x=0,1)

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Journal of Materials Science & Technology 2024年第4期171卷 66-70页

作者： Junwen Lai Jiangxu Li Peitao Liu yan Sun Xing-Qiu chen Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China

Recently,Lee et *** the experimental discovery of room-temperature ambient-pressure super-conductivity in a Cu-doped lead-apatite(LK-99)(arXiv:2307.12008,arXiv:2307.12037).Remarkably,the claimed superconductivity can persist up to 400 K at ambient *** the experimental im-plication,the electronic structure of LK-99 has not yet been ***,we investigate the electronic structures of LK-99 and its parent compound using first-principles calculations,aiming to elucidate the doping effects of *** results reveal that the parent compound Pb_(10)(PO_(4))_(6)O is an insulator,while Cu doping induces an insulator-metal transition and thus volume *** band structures of LK-99 around the Fermi level are featured by a half-filled flat band and a fully-occupied flat *** two very flat bands arise from both the 2p orbitals of 1/4-occupied O atoms and the hybridization of the 3d orbitals of Cu with the 2p orbitals of its nearest-neighboring O ***,we observe four van Hove singularities on these two flat ***,we show that the flat band structures can be tuned by including electronic correlation effects or by doping different *** find that among the considered doping elements(Ni,Cu,Zn,Ag,and Au),both Ni and Zn doping result in the gap opening,whereas Au exhibits doping effects more similar to Cu than *** work establishes a foundation for fu-ture studies to investigate the role of unique electronic structures of LK-99 in its claimed superconducting properties.

关键词： First-principles calculations Density functional theory Electronic structur e Superconductivity Flat bands Strongly correlated electrons

Digital signal acquisition system for complex nuclear reaction experiments

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Nuclear Science and Techniques 2024年第1期35卷 124-133页

作者： Wei-Liang Pu yan-Lin Ye Jian-Ling Lou Jia-Hao chen School of Physics and State Key Laboratory of Nuclear Physics and Technology Peking UniversityBeijing 100871China Institute of Applied Physics and Computational Mathematics Beijing 100094China

A digital data-acquisition system based on XIA LLC products was used in a complex nuclear reaction experiment using radioactive ion beams.A flexible trigger system based on a field-programmable gate array(FPGA)parametrization was developed to adapt to different experimental sizes.A user-friendly interface was implemented,which allows converting script language expressions into FPGA internal control *** proposed digital system can be combined with a conventional analog data acquisition system to provide more *** performance of the combined system was veri-fied using experimental data.

关键词： Digital signal acquisition system Trigger Programmable logic Timestamp

Relationship between Authoritative Parenting Style and Preschool Children’s Emotion Regulation:A Moderated Mediation Model

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International Journal of Mental Health Promotion 2024年第3期26卷 189-198页

作者： yan Jin Wei chen School of Education Sciences Huizhou UniversityHuizhou516007China

An authoritative parenting style has been shown to promote children’s emotion regulation in European-American family ***,little is known about how sleep problems and the child’s sibling status in Chinese families affect this *** on family system theory,this study attempts to better understand the relationship between authoritative parenting style and emotion *** of preschool children in Chinese kindergartens completed questionnaires about their children’s sleep habits,their authoritative parenting styles,and children’s emotion regulation.A total of 531 children participated in this *** showed that authoritative parenting was positively associated with emotional *** problems mediated the effects of authoritative parenting style on emotion *** child’s sibling status moderated the mediating effects of sleep problems in authoritative parenting and emotion regulation ***,the relationship between the authoritative parenting style and sleep problems was significant for only children,while birth order had no significant influence on the authoritative parenting style and sleep problems in two-child *** findings suggest that a lowauthoritative parenting style predicts low emotion regulation through sleep problems,and this depends on the child’s sibling status,indicating that children without siblings may impair emotion regulation due to increased sleep problems.

关键词： Sleep problem emotional regulation authoritative parenting child’s sibling status preschool children

A nitric oxide-triggered hydrolysis reaction to construct controlled self-assemblies with complex topologies

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Science China Chemistry 2024年第4期67卷 1289-1299页

作者： Wenzhuo chen Yuping Tang Shuai chen Zipei chen Jia He Hongbin Huo Juan Zhang Jiajia Li Fei yan Wei Tian Laboratory of Shaanxi Administration of Traditional Chinese Medicine for TCM Compatibility Shaanxi Key Laboratory of Chinese Medicine Fundamentals and New Drugs ResearchCollege of PharmacyShaanxi University of Chinese MedicineXianyang 712046China Shaanxi Key Laboratory of Macromolecular Science and Technology Xi’an Key Laboratory of Hybrid Luminescent Materials and Photonic DeviceMOE Key Laboratory of Material Physics and Chemistry under Extraordinary ConditionsSchool of Chemistry and Chemical EngineeringNorthwestern Polytechnical UniversityXi’an 710072China Department of Polymeric Materials School of Materials Science and EngineeringTongji UniversityShanghai 201804China

Hydrolysis reactions are capable of directing the non-equilibrium assembly of biomolecular scaffolds to realize sophisticated structures and functions in natural ***,utilizing the proper hydrolysis reactions to construct controlled assemblies with complex topologies is still an arduous challenge in artificial systems and needs to be ***,we report a nitric oxide(NO)-triggered slow hydrolysis strategy for the controlled construction of biomimetic supramolecular toroids(STs),thus realizing their visualization of intermediate structures and regulation of geometry *** presented protocol harnesses hydrolysis reactions to control of non-equilibrium self-assembly processes for the construction of self-assemblies with complex topologies successfully,which sheds light on how the hydrolysis reaction rate can modulate the kinetic pathway of assembly,thus realizing the artificial establishment of bio-inspired hierarchical structures.

关键词： supramolecular toroids controlled self-assembly nitic oxide-triggered hydrolysis pathway regulation

Adhesion strength of tetrahydrofuran hydrates is dictated by substrate stiffness

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Petroleum Science 2024年第1期21卷 667-673页

作者： yan-Wen Lin Tong Li Yi Zhang Wei-Wei yan Xiao-Ming chen Zhi-Sen Zhang Jian-yang Wu Department of Physics Research Institute for Biomimetics and Soft MatterJiujiang Research Institute and Fujian Provincial Key Laboratory for Soft Functional Materials ResearchXiamen UniversityXiamen361005FujianChina Key Laboratory of Marine Materials and Related Technologies Zhejiang Key Laboratory of Marine Materials and Protective TechnologiesNingbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo315201ZhejiangChina Key Laboratory of Icing and Anti/De-icing China Aerodynamics Research and Development CenterMianyang621000SichuanChina Micro-and Nano-technology Research Center State Key Laboratory for Manufacturing Systems EngineeringXi’an Jiaotong UniversityXi’an710049ShaanxiChina Electronic Materials Research Lab Key Laboratory of the Ministry of EducationXi’an Jiaotong UniversityXi’an710049ShaanxiChina NTNU Nanomechanical Lab Norwegian University of Science and Technology(NTNU)Trondheim7491Norway

Understanding the hydrate adhesion is important to tackling hydrate accretion in ***,the relationship between the Tetrahydrofuran(THF)hydrate adhesion strength(AS)and surface stiffness on elastic coatings is systemically examined by experimental shear force measurements and theoretical *** mechanical factor-elastic modulus of the coatings greatly dictates the hydrate AS,which is explained by the adhesion mechanics theory,beyond the usual factors such as wettability and structural ***,the hydrate AS increases with reducing the thickness of the elastic coatings,resulted from the decrease of the apparent surface elastic *** effect of critical thickness for the elastic materials with variable elastic modulus on the hydrate AS is also *** study provides deep perspectives on the regulation of the hydrate AS by the elastic modulus of elastic materials,which is of significance to design anti-hydrate surfaces for mitigation of hydrate accretion in petro-pipelines.

关键词： Hydrate Adhesion strength Elastic modulus Coatings

Application of organic manure as a potential strategy to alleviate the limitation of microbial resources in soybean rhizospheric and bulk soils

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Journal of Integrative Agriculture 2024年第6期23卷 2065-2082页

作者： Zhimin Wu Xiaozeng Han Xu chen Xinchun Lu Jun yan Wei Wang Wenxiu Zou Lei yan School of Resources and Environment Northeast Agricultural UniversityHarbin 150030China Key Laboratory of Mollisols Agroecology Northeast Institute of Geography and AgroecologyChinese Academy of SciencesHarbin 150081China Heilongjiang Academy of Agricultural Sciences Harbin 150086China

The development and vigor of soil microorganisms in terrestrial ecosystems are frequently constrained by the limited availability of essential elements such as carbon(C),nitrogen(N),and phosphorus(P).In this study,we investigated the impact of long-term application of varying levels of organic manure,low(7.5 Mg ha^(−1)yr^(−1)),moderate(15.0 Mg ha^(−1)yr^(−1)),and high(22.5 Mg ha^(−1)yr^(−1)),on the stoichiometry of enzymes and the structures of the microbial communities in soybean rhizospheric and bulk *** main goal of this research was to examine how soil microbial resource limitations in the rhizosphere respond to different long-term fertilization *** soil enzymatic activities were quantified,and the structure of the microbial community was assessed by analyzing phospholipid fatty acid *** compared to the bulk soil,the rhizospheric soil had significant increases in microbial biomass carbon(MBC),nitrogen(MBN),and phosphorus(MBP),with MBC increasing by 54.19 to 72.86%,MBN by 47.30 to 48.17%,and MBP by 17.37 to 208.47%.Compared with the unfertilized control(CK),the total microbial biomasses of the rhizospheric(increased by 22.80 to 90.82%)and bulk soils(increased by 10.57 to 60.54%)both exhibited increases with the application of organic manure,and the rhizospheric biomass was higher than that of bulk *** with bulk soil,the activities of C-,N-and P-acquiring enzymes of rhizospheric soil increased by 22.49,14.88,and 29.45%under high levels of organic manure,*** of vector length,vector angle,and scatter plots revealed that both rhizospheric and bulk soils exhibited limitations in terms of both carbon(C)and phosphorus(P)*** results of partial least-squares path modelling indicated that the rhizospheric soil exhibited a more pronounced response to the rate of manure application than the bulk *** varying reactions of rhizospheric and bulk soils to the extended application of organic manure underscore

关键词： enzymatic stoichiometry rhizosphere phospholipid fatty acids soybean organic manure

Hydrothermally stable metal oxide-zeolite composite catalysts for low-temperature NO_(x) reduction with improved N_(2) selectivity

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Chinese Chemical Letters 2024年第6期35卷 515-523页

作者： Lijun yan Shiqi chen Penglu Wang Xiangyu Liu Lupeng Han Tingting yan Yuejin Li Dengsong Zhang School of Environmental and Chemical Engineering International Joint Laboratory of Catalytic ChemistryCollege of SciencesShanghai UniversityShanghai 200444China BASF Environmental Catalyst and Metal Solutions IselinNJ 08830United States

Development of hydrothermally stable,low-temperature catalysts for controlling nitrogen oxides emissions from mobile sources remains an urgent *** have prepared a metal oxide-zeolite composite catalyst by depositing Mn active species on a mixture support of CeO_(2)/Al_(2)O_(3) and *** composite catalyst is hydrothermally stable and shows improved low-temperature SCR activity and significantly reduced N_(2)O formation than the corresponding metal oxide *** with a Cu-CHA catalyst,the composite catalyst has a faster response to NH_(3) injection and less NH_(3) *** characterization results reveal that such an oxide-zeolite composite catalyst contains more acidic sites and Mn^(3+)species as a result of oxide-zeolite interaction,and this interaction leads to the generation of more NH_(4)^(+)species bound to the Br?nsted acid sites and more reactive NOxspecies absorbed on the Mn ***,we report our mechanistic understanding of the oxide-zeolite composite catalyst and its molecular pathway for improving the low-temperature activity and N_(2) selectivity for NH_(3)-SCR ***,this work may provide an alternative methodology for low-temperature NO_(x) control from diesel vehicles.

关键词： Selective catalytic reduction Mn-based catalysts Hydrothermal stability N_(2) selectivity

Process analytical technologies and self-optimization algorithms in automated pharmaceutical continuous manufacturing

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Chinese Chemical Letters 2024年第3期35卷 87-95页

作者： Peiwen Liu Hui Jin yan chen Derong Wang Haohui yan Mingzhao Wu Fang Zhao Weiping Zhu State Key Laboratory of Bioreactor Engineering Shanghai Key Laboratory of Chemical BiologySchool of PharmacyEast China University of Science and TechnologyShanghai 200237China State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China Engineering Research Center of Pharmaceutical Process Chemistry Ministry of EducationSchool of PharmacyEast China University of Science and TechnologyShanghai 200237China

The pharmaceutical industry is now paying increased attention to continuous *** the revolution to continuous and automated manufacturing is deepening in most of the top pharma companies in the world,the advancement of automated pharmaceutical continuous manufacturing in China is relatively slow due to some key challenges including the lack of knowledge on the related technologies and shortage of qualified *** this review,emphasis is given to two of the crucial technologies in automated pharmaceutical continuous manufacturing,i.e.,process analytical technology(PAT)and self-optimizing *** work published in recent 5 years employing advanced PAT tools and self-optimization algorithms is introduced,which represents the great progress that has been made in automated pharmaceutical continuous manufacturing.

关键词： Pharmaceutical continuous manufacturing Automation Process analytical technology Self-optimization algorithm

Two different autorefractors for vision screening in children and adolescents

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International Journal of Ophthalmology(English edition) 2024年第2期17卷 331-338页

作者： Xiao-Jun chen Lin-Jie Liu Bing Sun Dan-Dan Jiang Shu-Shu Zuo yan-Hui Wang chun-Hua Zhang yan-yan chen School of Optometry and Ophthalmology Wenzhou Medical UniversityWenzhou 325027Zhejiang ProvinceChina National Clinical Research Center for Ocular Diseases Eye HospitalWenzhou Medical UniversityWenzhou 325027Zhejiang ProvinceChina

AIM:To compare the consistency of two autorefractors(Tianle RM-9000 and Topcon KR-800)for school-age myopia children,and to provide a basis for largescale data analysis and ***:The refractive error in 909 subjects(age 4–18y)were measured using both autorefractors without *** data were analyzed using Fourier decomposition and the correlation coefficients,intraclass correlation coefficients(ICC),and Bland-Altman limits of agreement(LoA)for each parameter were ***:There was a strong correlation between the spherical equivalent(SE),sphere diopter(DS),and cylinder diopter(DC)readings of the Tianle RM-9000 and those of the Topcon KR-800,with correlation coefficient values of 0.98,0.98 and 0.83 and ICC values of 0.99,0.99 and 0.93,***,the correlation coefficients and ICC values of J0 and J45 were unreliable(R=-0.004,-0.034;both ICC<0.10).Bland-Altman analysis revealed that SE,DS,and DC measured by the Tianle RM-9000 were significantly biased toward myopia compared with the Topcon KR-800,and the mean differences were-0.072,-0.026,-0.091 D,respectively(all P<0.01).The minimum absolute value of the difference within the 95%LoA for SE,DS,and DC was 0.63 D,0.50 D,0.62 D,respectively;all these values were in the clinically acceptable *** J0 and J45,the mean differences were close to zero(P=0.43,0.84);however,the 95%LoA were relatively wide(J0 SD:0.53;95%CI:-1.00,1.10;J45 SD:0.52;95%CI:-1.00,1.00).CONCLUSION:The two autorefractors are consistent with each other,as the differences in SE,DS,and DC were within the clinically acceptable *** can compare the data measured by either device in different studies and use the two devices in the same study to generate a dataset that can be analyzed ***,the J0 and J45 vectors are unreliable and should not be used to assess astigmatism.

关键词： refractive error autorefractors school-age myopia children