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Enhancement of Electroluminescence by Low-Temperature Deposition of Organic Thin Solid Films

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Chinese Physics Letters 1997年第2期14卷 141-144页

作者： GU Jian-hua xu min-hua XIAO Zhong-dang LU Zu-hong huaNG Song-yu National Laboratory of Molecular and Bioelectronics Southeast UniversityNanjing 210096 Department of Physics East China University of Science and Technologx Shanghai 200237

The electrical and light-emitting behaviors of electroluminescent cells,which consist of naphthoylimide(NPL)as emitting layer and poly(3-octylthiophene)(P3OT)doped with poly(N-vinylcarbazoe)(PVK)as hole transport layer sandwiched between indium-tin-oxide(ITO)and aluminum electrode,have been *** mixed polymer(P3OT:PVK)layer and the emitting layer were deposited by spin coating and by vacuum deposition *** was found that the visible blue emission could be observed from the cells at low bias *** when the ITO substrate was cooled to near the liquid N_(2) temperature during the deposition of NPL emitting layer,the brightness of the cell *** was confirmed that holes could be easily injected into NPL layer with deposition temperature decreased.

关键词： layer Solid sandwich

基于多光谱方法和计算模拟的细胞色素CYP1A2与阿奇霉素的结合机制研究

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化学研究与应用 2024年第2期36卷 245-253页

作者：史梦洁林晓莲黄芝辉徐敏华何进锋刘红艳桂林理工大学化学与生物工程学院广西电磁化学功能物质重点实验室广西桂林541006

为了解阿奇霉素(AZI)在模拟的人体环境中与CYP1A2的结合情况,探索AZI在人体内的转化机制,本论文使用分子对接、分子动力学模拟、荧光光谱、紫外分光光度法、傅立叶变换红外光谱、圆二色光谱等多种实验方法,阐明AZI与CYP1A2之间的相互作... 详细信息

为了解阿奇霉素(AZI)在模拟的人体环境中与CYP1A2的结合情况,探索AZI在人体内的转化机制,本论文使用分子对接、分子动力学模拟、荧光光谱、紫外分光光度法、傅立叶变换红外光谱、圆二色光谱等多种实验方法,阐明AZI与CYP1A2之间的相互作用机制。分子对接结果表明AZI与CYP1A2的结合方式是半包裹并且以疏水作用力相结合。分子动力学模拟结果表明,CYP1A2-AZI复合物的均方根偏差(RMSD)值增大;均方根波动(RMSF)值表明复合物体系柔性较大;回旋半径(Rg)值表明蛋白质特定区域的结构松散。荧光猝灭光谱实验表明,CYP1A2与AZI是以静态猝灭机制结合在一起。热力学参数表明AZI与CYP1A2之间的主导作用力为疏水作用力。时间分辨光谱表明AZI对CYP1A2的机制为静态猝灭。紫外光谱实验表明AZI与CYP1A2反应生成了复合物。红外光谱实验结果表明CYP1A2的二级结构含量发生了改变。圆二色光谱证实AZI对CYP1A2的二级结构产生影响。

关键词：阿奇霉素 CYP1A2 相互作用分子计算模拟多光谱表征

Trends and hotspots in gastrointestinal neoplasms risk assessment: A bibliometric analysis from 1984 to 2022

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World Journal of Gastrointestinal Oncology 2024年第6期16卷 2842-2861页

作者： Qiang-Qiang Fu Le Ma Xiao-min Niu hua-Xin Zhao xu-hua Ge hua Jin De-hua Yu Sen Yang Department of General Practice Yangpu HospitalSchool of MedicineTongji UniversityShanghai 200090China Shanghai General Practice and Community Health Development Research Center Shanghai 200090China Department of Shanghai Lung Cancer Center Shanghai Chest HospitalShanghai Jiao Tong University School of MedicineShanghai 200030China Department of Oncology Shanghai Tenth People’s HospitalTongji University School of MedicineShanghai 200090China

BACKGROUND Gastrointestinal neoplasm(GN)significantly impact the global cancer burden and mortality,necessitating early detection and *** the evolution and current state of research in this field is *** To conducts a comprehensive bibliometric analysis of publications from 1984 to 2022 to elucidate the trends and hotspots in the GN risk assessment research,focusing on key contributors,institutions,and thematic *** This study conducted a bibliometric analysis of data from the Web of Science Core Collection database using the"bibliometrix"R package,VOSviewer,and *** analysis focused on the distribution of publications,contributions by institutions and countries,and trends in *** methods included data synthesis,network analysis,and visualization of international collaboration *** This analysis of 1371 articles on GN risk assessment revealed a notable evolution in terms of research focus and *** highlights the United States'critical role in advancing this field,with significant contributions from institutions such as Brigham and Women's Hospital and the National Cancer *** last five years,substantial advancements have been made,representing nearly 45%of the examined *** rates have dramatically increased,from 20 articles in 2002 to 112 in 2022,reflecting intensified research *** study underscores a growing trend toward interdisciplinary and international collaboration,with the Journal of Clinical Oncology standing out as a key publication *** shift toward more comprehensive and collaborative research methods marks a significant step in addressing GN *** This study underscores advancements in GN risk assessment through genetic analyses and machine learning and reveals significant geographical disparities in research *** calls for enhanced global collaboration and integration of artificial intelligence to improve cancer p

关键词： Gastrointestinal neoplasms Bibliometric analysis Risk assessment Network analysis Research trends

Quantum Neural Network for Quantum Neural Computing

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Research 2024年第1期2023卷 71-80页

作者： min-Gang Zhou Zhi-Ping Liu hua-Lei Yin Chen-Long Li Tong-Kai xu Zeng-Bing Chen National Laboratory of Solid State Microstructures School of PhysicsCollaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China MatricTime Digital Technology Co.Ltd. Nanjing 211899China

Neural networks have achieved impressive breakthroughs in both industry and *** to effectively develop neural networks on quantum computing devices is a challenging open ***,we propose a new quantum neural network model for quantum neural computing using(classically controlled)single-qubit operations and measurements on real-world quantum systems with naturally occurring environment-induced decoherence,which greatly reduces the difficulties of physical *** model circumvents the problem that the state-space size grows exponentially with the number of neurons,thereby greatly reducing memory requirements and allowing for fast optimization with traditional optimization *** benchmark our model for handwritten digit recognition and other nonlinear classification *** results show that our model has an amazing nonlinear classification ability and robustness to ***,our model allows quantum computing to be applied in a wider context and inspires the earlier development of a quantum neural computer than standard quantum computers.

关键词： quantum thereby breakthrough

Aldehyde oxidase mediated enantioselective metabolic health risk of dinotefuran

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Science China Chemistry 2024年第6期67卷 2079-2091页

作者： Liwei xu Xinxin xu hua Kuang Chuanlai xu Xiaoling Wu State Key Laboratory of Food Science and Resources Jiangnan UniversityWuxi214122China International Joint Research Laboratory for Biointerface and Biodetection and School of Food Science and Technology Jiangnan UniversityWuxi214122China Collaborative Innovation center of Food Safety and Quality Control in Jiangsu Province Jiangnan UniversityWuxi214122China

Chiral pollutants often pose significant differential environmental health *** this study,the biotransformation of chiral dinotefuran(DIN)and its enantioselective metabolic toxicity mechanisms have been systemically ***,reversedphase chromatography-high resolution mass spectrometry was developed to quantify the content of DIN R/S chiral enantiomer with pg level sensitivity,revealing a lower elimination rate constant(K_(e))of S-DIN(0.730 h^(-1))than R-DIN(0.746 h^(-1)).Secondly,the interaction mechanism between DIN metabolism and important endogenous bioactive molecules,such as aldehyde oxidase(AOX)and neurotransmitters,was *** DIN nitro-group was converted into a guanidine group by the reducing site of nearby flavin adenine dinucleotide(FAD)in AOX with the preferred higher affinity of ***,the endogenous tryptophan(Trp)aldehyde metabolic intermediate,5-hydroxyindoleacetaldehyde(5-HIAL),provides a persistent electron donor for DIN reduction via the oxidation-catalyzed site in AOX,resulting in remarkable up-regulation of monoamine neurotransmitters such as serotonin and ***,the higher level of neurotransmitters further mediated dysregulation of oxylipin homeostasis via the serotonergic pathway,where S-DIN exhibited more pronounced liver lipid damage and environmental health risk with the accumulated lipid biomarkers,oxidized triglyceride(OxTG)and oxidized sphingomyelin(OxSM).This study elucidates the AOX-mediated enantioselectivity metabolic pathway of DIN,providing a new analytical method for chiral pollutants and paves the way for their health risk assessments.

关键词： neonicotinoid dinotefuran enantiomer aldehyde oxidase metabolomics health risk

Decreased AKAP4/PKA signaling pathway in high DFI sperm affects sperm capacitation

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Asian Journal of Andrology 2024年第1期26卷 25-33页

作者： Kun Zhang Xiu-hua xu Jian Wu Ning Wang Gang Li Gui-min Hao Jin-Feng Cao Hebei Key Laboratory of Infertility and Genetics Department of Reproductive MedicineSecond Hospital of Hebei Medical UniversityShijiazhuang 050000China Department of Reproductive Medicine Affiliated Hospital of Xuzhou Medical UniversityXuzhou 221000China Department of Neurology The 980th Hospital of the People's Liberation Army Joint Logistics Support Force(Bethune International Peace Hospital)Shijiazhuang 050000China.

The sperm DNA fragmentation index(DFI)is a metric used to assess DNA fragmentation within *** in vitro fertilizationembryo transfer(IVF-ET),high sperm DFI can lead to a low fertilization rate,poor embryo development,early miscarriage,etc.A kinase anchoring protein(AKAP)is a scaffold protein that can bind protein kinase A(PKA)to subcellular sites of specific substrates and protects the biophosphorylation *** protein antigen 17(SPA17)can also bind to *** study intends to explore the reason for the decreased fertilization rate observed in high sperm DFI(H-DFI)patients during *** addition,the study investigates the expression of AKAP,protein kinase A regulatory subunit(PKARIl),and SPA17 between H-DFI and low sperm DFI(L-DFI)***17 at the transcriptional level is abnormal,the translational level increases in H-DFI patients,and the expression of AKAP4/PKARIl protein decreases.H,O,has been used to simulate oxidative stress damage to spermatozoa during the formation of sperm *** indicates that H,O,increases the expression of sperm SPA17 protein and suppresses AKAP4/PKARIl protein *** processes inhibit sperm capacitation and reduce acrosomal *** culture data and IVF outcomes have been *** H-DFI group has a lower fertilization ***,the results indicate that the possible causes for the decreased fertilization rate in the H-DFI patients have included loss of sperm AKAP4/PKARIl proteins,blocked sperm capacitation,and reduced occurrence of acrosome reaction.

关键词： AKAP PKA SPA17 sperm capacitation sperm DNA fragmentation index

Catalytic asymmetric dearomative azo-Diels–Alder reaction of 2-vinlyindoles

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Chinese Chemical Letters 2024年第4期35卷 357-362页

作者： Yu-Hang Miao Zheng-xu Zhang xu-Yi huang Yuan-Zhao hua Shi-Kun Jia Xiao Xiao min-Can Wang Li-Ping xu Guang-Jian Mei Green Catalysis Center and College of ChemistryZhengzhou UniversityZhengzhou 450052China School of Chemistry and Chemical Engineering Shandong University of TechnologyZibo 255000China Institute of Pharmaceutical Science and Technology Zhejiang University of TechnologyHangzhou 310014China

Due to the high electrophilic nature of azo-dienophiles, azo-Diels–Alder proceeds rapidly even without the need of a catalyst and is therefore regarded as the “click reaction”. This spontaneity causes strong background reaction and poses a daunting challenge to chemists for developing the catalytic asymmetric version. Reported herein is the first catalytic asymmetric dearomative azo-Diels–Alder reaction between2-vinylindoles and triazoledione. This protocol makes use of the high energy barrier of dearomatization to avert the strong background reaction of azo-Diels–Alder reaction, allowing the implementation of the projected reaction at ambient temperature. Density functional theory calculations have been performed to gain insights into the reaction mechanism and the origins of the enantioselectivity. By using this method,a variety of tetracyclic indole derivatives have been readily prepared in good to excellent yields and with excellent diastereo-and enantio–selectivities(33 examples, up to 97% yield and >99% ee, >20:1 dr).

关键词： Catalytic asymmetric dearomatization Azo-Diels–Alder reaction 2-Vinylindoles Chiral phosphoric acid Tetracyclic indole derivatives

Microstructure and property of laser additive manufactured alloy Ti-6Al-2V-1.5Mo-0.5Zr-0.3Si after aged at different temperatures

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Rare Metals 2024年第5期43卷 2275-2281页

作者： Guo-Chao Li xu Cheng hua-ming Wang National Engineering Laboratory of Additive Manufacturing for Large Metallic Components and Engineering Research Center of ministry of Education on Laser Direct Manufacturing for Large Metallic Components School of Materials Science and EngineeringBeihang UniversityBeijing 100191China

The solid solution and aging treatment for conventional manufacturing processes might not be suitable for laser additive manufactured titanium alloys due to the different lamellar *** this study,the influence of aging temperatures(600,700 and 800°C)on microstructure and mechanical properties of titanium alloy Ti-6Al-2V-1.5Mo-0.5Zr-0.3Si was *** results indicate that after solid solution treatment at 970°C followed by water quenching,the alloy mainly consists of coarsening lamellar a phase in martensite α' *** at 600°C will not change the size of primary lamellar α phase but lead to huge amount of secondary a phases(α_(s))generating with very fine *** increasing the aging temperature,the number of α_(s) decreases but with coarsened *** aged at 800°C,the width of the asphase reaches 350 nm,almost 7 times wider than that aged at 600°*** changing size of α_(s) obviously influences the property of the *** fine α_(s) leads to high strength and microhardness but low plasticity,and specimen aged at 700°C with suitable assize has the best comprehensive properties.

关键词： α+βtitanium alloy Laser additive manufacturing Solid solution and aging treatment Microstructure Room temperature tensile property

Strain Gradient Finite Element Formulation of Flexoelectricity in Ferroelectric Material Based on Phase-Field Method

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Acta Mechanica Solida Sinica 2024年第4期37卷 570-579页

作者： Shuai Wang Hengchang Su min Yi Li-hua Shao National Key Laboratory of Strength and Structural Integrity Institute of Solid MechanicsSchool of Aeronautic Science and EngineeringBeihang UniversityBeijing100191People’s Republic of China State Key Laboratory of Mechanics and Control for Aerospace Structures and Institute for Frontier Science and Key Laboratory for Intelligent Nano Materials and Devices of ministry of Education and College of Aerospace Engineering Nanjing University of Aeronautics and AstronauticsNanjing210016People’s Republic of China

Flexoelectricity is a two-way coupling effect between the strain gradient and electric field that exists in all dielectrics,regardless of point group ***,the high-order derivatives of displacements involved in the strain gradient pose challenges in solving electromechanical coupling problems incorporating the flexoelectric *** this study,we formulate a phase-field model for ferroelectric materials considering the flexoelectric effect.A four-node quadrilateral element with 20 degrees of freedom is constructed without introducing high-order shape *** microstructure evolution of domains is described by an independent order parameter,namely the spontaneous polarization governed by the time-dependent Ginzburg–Landau *** model is developed based on a thermodynamic framework,in which a set of microforces is introduced to construct the constitutive relation and evolution *** the flexoelectric part of electric enthalpy,the strain gradient is determined by interpolating the mechanical strain at the node via the values of Gaussian integration points in the isoparametric *** model is shown to be capable of reproducing the classic analytical solution of dielectric materials incorporating the flexoelectric *** model is verified by duplicating some typical phenomena in flexoelectricity in cylindrical tubes and truncated pyramids.A comparison is made between the polarization distribution in dielectrics and *** model can reproduce the solution to the boundary value problem of the cylindrical flexoelectric tube,and demonstrate domain twisting at domain walls in ferroelectrics considering the flexoelectric effect.

关键词： Flexoelectricity Phase-field method Ferroelectrics Domain configuration