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Theoretical Researches on the Self-assembly System of Molecularly Imprinted Polymers Formed via Phenobarbital and Acrylamide

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Chinese Journal of Structural Chemistry 2019年第7期38卷 1069-1078页

作者： WANG Guang-Yu LIU Jun-bo TANG Shan-Shan chang hai-bo JIN Rui-Fa College of Food Science and Engineering Jilin Agricultural University Changchun 130118China College of Resources and Environment Jilin Agricultural University Changchun 130118 China College of Life Science Jilin Agricultural University Changchun 130118 China College of Chemistry and Chemical Engineering Chifeng University Chifeng 024000 China

For preparing the phenobarbital(PHN) molecularly imprinted polymers(MIPs) with higher adsorption and selectivity properties, we used the M062 X/6-31 g(d,p) method of density functional theory to predict the various properties of PHN-MIPs. Here PHN is as the imprinted molecule and acrylamide(AM) as the functional monomer. The ethylene glycol dimethacrylate,trimethylolpropane trimethacrylate, divinyl benzene, and pentaerythritol trimethacrylate are as the cross-linking agents, respectively. The acetonitrile, chloroform, toluene, and tetrahydrofuran are used as the solvents, respectively. The configurations of the molecular imprinting self-assembly system for PHN and AM have been simulated to study their bonding sites, binding energy, amount of hydrogen bond, and interaction mechanism. The essence of imprinting interaction for PHN and AM has been revealed by the atomic in the molecule theory. Meanwhile, the analogues of PHN were used to discuss the selectivity property of the stable PHN-AM complex. The results show that the PHN interacts with AM through hydrogen bonds. When the imprinting molar ratio of PHN-AM is1:6 and the THF is as the solvent, the amount of their hydrogen bonds is the most, the binding energy is the lowest, and their configuration is the most stable. In comparison with the other cross-linking agents(EGDMA, TRIM, and DVB), the PETA is more suitable for PHN-MIPs. The selective property of PHN-MIP to PHN is excellent when PHN and DMBA exist at the same time.

关键词： PHN AM molecularly imprinted polymers computational simulation

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Enhancement of Photocatalytic Degradation of Polyvinyl Chloride Plastic with Fe_(2)O_(3) Modified AgNbo_(3) Photocatalyst under Visible-light Irradiation

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Chinese Journal of Structural Chemistry 2021年第12期40卷 1595-1603,1552页

作者： chang hai-bo LIU Jun-bo DONG Zheng WANG Dan-Dan XIN Yu JIANG Zhuo-Lin TANG Shan-Shan College of Resource and Environmental Science Jilin Agricultural UniversityChangchun 130118China

The solid-phase photocataKtic degradation of polyvinyl chloride(PVC)plastic with AgNbo_(3)/Fe_(2)O_(3) is studied under visible-light *** PVC-(AgNbo_(3)/Fe_(2)O_(3))samples are characterized by X-ray photoelectron spectroscope(XPS),scanning electron microscope(SEM),gas chromatography(GC),and UV-vis diffusion reflectance spectra(UV-vis DRS).The photocatalytic properties of PVC-(AgNbo_(3)/Fe_(2)O_(3))samples are systematically *** amounts of generated CO2,greater texture change and higher weight loss rate were exhibited in the system of PVC-(AgNbo_(3)/Fe_(2)O_(3))than pure PVC *** weight loss rate is ten times higher than that of pure PVC film,which reaches to 46.53%with optimum amount of O.5wt% Fe_(2)O_(3).Active radicals generate primarily on the surface of Fe_(2)O_(3) particles,which cause composite plastic decomposition on the PVC-(AgNbo_(3)/Fe_(2)O_(3))interface and extend into polymer *** study provides a new promising way to degrade the plastic waste under visible-light.

关键词： photocatalytic degradation polyvinyl chloride AgNbo_(3)/Fe_(2)O_(3)

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Hexagonal and Orthorhombic Perovskite Phases of ErMnO_3 and TmMnO_3 from Hydrothermal Systems

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Chemical Research in Chinese Universities 2010年第5期26卷 707-711页

作者： ZHU Lin-lin CHEN Yan HUANG Ke-ke ZHANG Gang-hua HU Wei-wei YUAN Hong-ming chang hai-bo FENG Shou-hua State Key Laboratory of Inorganic Synthesis and Preparative Chemistry Jilin University Changchun 130012 P. R. China Resource and Environment Department Jilin Agriculture University Changchun 130118 P. R. China

The powder crystals of RMnO3（R=Er, Tm） with hexagonal and orthorhombic structures were prepared under hydrothermal conditions. The different structural phases of the title compounds were controllably formed from different kinds of precursors at different reaction temperatures. All of the samples were characterized by powder X-ray diffraction, scanning electron microscopy, inductively coupled plasma analysis, and variable temperature magnetic susceptibility. Their structures were refined by Rietveld method from powder X-ray diffraction data. The measurement of magnetic behavior shows antiferromagnetic orderings at Neel temperatures around 80 and 40 K for the hexagonal and orthorhombic phases, respectively.

关键词： Manganate RMnO3 Antiferromagnetism Hydrothermal synthesis

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A Rendezvous Mission to the Second Earth Trojan Asteroid 2020 XL_5 with Low-Thrust Multi-Gravity Assist Techniques

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Research in Astronomy and Astrophysics 2024年第1期24卷 245-264页

作者： Shi-hai Yang bo Xu Xin Li School of Aeronautics and Astronautics Sun Yat-sen UniversityShenzhen 518107China

As the second of Earth's Trojan asteroids, 2020 XL_(5) is worthy of rendezvous and even sample return missions in many aspects. In this paper, a rendezvous mission to Earth's second Trojan asteroid 2020 XL_(5) is ***, due to its high inclination and large eccentricity, direct impulsive transfer requires large amounts of fuel consumption. To address this challenge, we explore the benefits of electric propulsion and multi-gravity assist techniques for interplanetary missions. These two techniques are integrated in this mission design. The design of a low-thrust gravity-assist(LTGA) trajectory in multi-body dynamics is thoroughly investigated,which is a complex process. A comprehensive framework including three steps is presented here for optimization of LTGA trajectories in multi-body dynamics. The rendezvous mission to 2020 XL_(5) is designed with this three-step approach. The most effective transfer sequence among the outcomes involves Earth–Venus–Earth–Venus-2020 XL_(5). Numerical results indicate that the combination of electric propulsion and multi-gravity assists can greatly reduce the fuel consumption, with fuel consumption of 9.03%, making it a highly favorable choice for this rendezvous mission.

关键词： minor planets asteroids:general celestial mechanics Planetary Systems

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The unique spontaneous polarization property and application of ferroelectric materials in photocatalysis

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Nano Research 2024年第5期17卷 3571-3585页

作者： Jinghua An chang Xu Lu Li bo Tang College of Chemistry Chemical Engineering and Materials ScienceKey Laboratory of Molecular and Nano ProbesMinistry of EducationCollaborative Innovation Center of Functionalized Probes for Chemical Imaging in University of ShandongInstitute of Molecular and Nano ScienceShandong Normal UniversityJinan 250014China Laoshan Laboratory 168 Wenhai Middle RdAoshanwei JimoQingdao 266237China

The unique spontaneous polarization property of ferroelectric material makes it to be a special catalyst in *** spontaneous polarization property can induce the formation of built-in electric field,which can improve the separation of photoelectrons and holes to affect photocatalytic *** internal electric field induced by spontaneous polarization can be influenced by multiple factors such as the morphology,the concentration of defect,the type of doped heteroatoms,as well as the composition of ***,the preparation method,pretreating temperature,the strength of prepolarized external electric field of ferroelectric-based photocatalysts as well as the strength of external mechanical force or external magnetic field in photocatalytic reactions can influence the photocatalytic effectivity via influencing spontaneous polarization-induced internal electric ***,it is urgently to unveil the mystery of structure-activity relationships for ferroelectric materials-based photocatalysts,which is usually *** this in mind,this review was provided for the role of various complex influencing factors on ferroelectric materials-based photocatalysis based on the latest advancement in the fields of new energy development,environmental *** the beginning,the basic structure and properties of ferroelectric material are ***,popular synthesis methods of ferroelectric-based photocatalysts are *** that,two main mechanisms of ferroelectric photocatalysis are *** research progress of ferroelectric photocatalysis is then given emphatically according to the classification of photocatalytic ***,the problems existing nowadays and the challenges facing in the future on the application of ferroelectric materials-based photocatalysts are outlined in the summary and outlook section.

关键词： spontaneous polarization photocatalysis ferroelectric separation of electrons and holes

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Applications of gastric peroral endoscopic myotomy in the treatment of upper gastrointestinal tract disease

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World Journal of Gastrointestinal Surgery 2024年第3期16卷 658-669页

作者： Shi-Yu chang Guo-Hua Jin hai-bo Sun Dong Yang Tong-Yu Tang Department of Gastroenterology The First Hospital of Jilin UniversityChangchun 130021Jilin ProvinceChina

Gastric peroral endoscopic myotomy(G-POME)is an emerging minimally invasive endoscopic technique involving the establishment of a submucosal tun-nel around the pyloric *** 2013,Khashab et al used G-POME for the first time in the treatment of gastroparesis with enhanced therapeutic efficacy,prov-iding a new direction for the treatment of *** the recent and rapid development of G-POME therapy technology,progress has been made in the treatment of gastroparesis and other upper digestive tract diseases,such as congenital hypertrophic pyloric stenosis and gastric sleeve stricture,with *** article reviews the research progress and future prospects of G-POME for the treatment of upper digestive tract gastrointestinal diseases.

关键词： Gastric peroral endoscopic myotomy Upper digestive tract diseases Gastroparesis Congenital hypertrophic pyloric stenosis Gastric sleeve stricture

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有场和无场下高价乙炔阳离子的理论研究

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化学学报 2008年第3期66卷 308-314页

作者：常海波陈波珍何裕建中国科学院研究生院化学与化学工程学院北京100049

使用(U)B3LYP方法,选用6-311++G(d,p)基组,研究了在无场和不同外加电场强度下高价乙炔阳离子[C2Hn2+(n=2,34)]的结构、稳定性以及去质子化解离反应.研究表明,在无场下,C2H22+和C2H32+是稳定的,但C2H42+不稳定,自发解离生成两个C+和两个H... 详细信息

使用(U)B3LYP方法,选用6-311++G(d,p)基组,研究了在无场和不同外加电场强度下高价乙炔阳离子[C2Hn2+(n=2,34)]的结构、稳定性以及去质子化解离反应.研究表明,在无场下,C2H22+和C2H32+是稳定的,但C2H42+不稳定,自发解离生成两个C+和两个H+,C2H24+的这种解离归因于库仑爆炸.当外加电场强度达到0.06a.u.时,C2H22+自发解离生成C2H++H+;而对于C2H32+,当外加电场仅为0.0075a.u.时,自发解离生成C2H2++H+.C2H22+和C2H32+在场中的这种自发解离被归结为场致解离.

关键词：乙炔阳离子密度泛函理论场致解离库仑爆炸

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Tribological and Corrosion Properties of the CoCrAlYTaSiC-xCNTs Coatings Deposited by Laser Cladding

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Acta Metallurgica Sinica(English Letters) 2024年第4期37卷 726-738页

作者： hai Zhao Yi Ding Wei Gao bo Yu Jinghui Li Mingya Zhang School of Material Science and Engineering Anhui University of TechnologyMaanshan243002China Maanshan Iron&Steel Co. LtdMaanshan243000China Applied Technology Research Institute Jiujiang Vocational UniversityJiujiang332000China School of Metallurgical Engineering Anhui University of TechnologyMaanshan243002China

The MCrAlY coating has been potential candidate for the parts applied in friction and corrosion conditions, and CNTs (carbon nanotubes) are expected to improve the service performance of coatings owing to high lubrication and low chemical reactivity. In this work, a systematic investigation on the tribological and corrosion properties of CoCrAlYTaSiC-xCNTs coatings deposited by laser melting was analyzed. Results showed that the coatings had good-quality without typical metallurgical defects. The CNTs addition homogenized and refined the microstructure of coating, and also improved the tribological and corrosion properties. As the CNTs content changed from 0 to 4 wt%, the wear rate of coating decreased from 16.23 × 10^(-3) to 7.58 × 10^(-3) mg m^(−1), the jcorr of coating decreased from 4.13 × 10^(-4) to 1.23 × 10^(-4) A cm^(−2), and the Rct values increased from 12.69 to 25.07 Ω cm2.

关键词： MCrAlY coating Laser melting deposition Friction Electrochemical corrosion

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欠驱动刚体航天器奇异避免的反步姿态控制

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控制理论与应用 2020年第5期37卷 1028-1033页

作者：夏德银常海波北京控制与电子技术研究所北京100038

为了完成欠驱动刚体航天器(UCRS)姿态系统的稳定控制,使得UCRS全程稳定飞行,本文提出了一种奇异避免的反步控制(SABSC)方法.首先,对于已知的UCRS系统的动力学模型和利用(w, z)参数表述的运动学模型,本文通过构造合适的李雅普诺夫函数,... 详细信息

为了完成欠驱动刚体航天器(UCRS)姿态系统的稳定控制,使得UCRS全程稳定飞行,本文提出了一种奇异避免的反步控制(SABSC)方法.首先,对于已知的UCRS系统的动力学模型和利用(w, z)参数表述的运动学模型,本文通过构造合适的李雅普诺夫函数,推导得到了两个驱动轴角速度理想的函数表达式,确保了姿态系统参数的一致收敛;其次,在理想姿态角速度的基础上,借助于重构期望的李雅普诺夫函数,设计得到了奇异避免的反步控制器;最终,为了检验本文提出的SABSC的性能,进行了数值仿真实验,实验结果表明本文提出的控制器具有较好的控制性能.

关键词：反步欠驱动李雅普诺夫函数奇异性控制航天器

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Layer Hall effect induced by hidden Berry curvature in antiferromagnetic insulators

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National Science Review 2024年第2期11卷 15-23页

作者： Rui Chen hai-Peng Sun Mingqiang Gu Chun-bo Hua Qihang Liu hai-Zhou Lu X.C.Xie Shenzhen Institute for Quantum Science and Engineering and Department of Physics Southern University of Science and Technology(SUSTech) International Quantum Academy Institute for Theoretical Physics and Astrophysics University of Würzburg School of Electronic and Information Engineering Hubei University of Science and Technology Guangdong Provincial Key Laboratory of Computational Science and Material Design Southern University of Science and Technology Shenzhen Key Laboratory of Quantum Science and Engineering International Center for Quantum Materials School of PhysicsPeking University Collaborative Innovation Center of Quantum Matter CAS Center for Excellence in Topological Quantum Computation University of Chinese Academy of Sciences

The layer Hall effect describes electrons spontaneously deflected to opposite sides at different layers, which has been experimentally reported in the MnBi2Te4thin films under perpendicular electric fields. Here, we reveal a universal origin of the layer Hall effect in terms of the so-called hidden Berry curvature, as well as material design principles. Hence, it gives rise to zero Berry curvature in momentum space but non-zero layer-locked hidden Berry curvature in real space. We show that, compared to that of a trivial insulator, the layer Hall effect is significantly enhanced in antiferromagnetic topological insulators. Our universal picture provides a paradigm for revealing the hidden physics as a result of the interplay between the global and local symmetries, and can be generalized in various scenarios.

关键词： layerHall effect hidden Berry curvature antiferromagnetic insulator axion insulator, quantum transport

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