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Study on the effective elastic performance of composites containing decagonal symmetric two-dimensional quasicrystal coatings
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作者 Yurun WU Lu LI Lianhe LI 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2024年第9期1655-1664,共10页
On account of the Mori-Tanaka approach,the effective elastic performance of composites containing decagonal symmetric two-dimensional(2D)quasicrystal(QC)coatings is studied.Explicit expressions for the effective elast... On account of the Mori-Tanaka approach,the effective elastic performance of composites containing decagonal symmetric two-dimensional(2D)quasicrystal(QC)coatings is studied.Explicit expressions for the effective elastic constants of rare-earth QC reinforced magnesium-based composites are provided.Detailed discussion is presented on the effects of the volume fraction of the inclusions,the aspect ratio of the inclusions,the coating thickness,and the coating material parameters on the effective elastic constants of the composites.The results indicate that considering the coating increases the effective elastic constants of the composites to some extent. 展开更多
关键词 Mori-Tanaka approach coated inclusion decagonal symmetric twodimensional(2D)quasicrystal(QC)
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THREE-DIMENSIONAL RECONSTRUCTION OF TWODIMENSIONAL INTRAVASCULAR ULTRASOUND IMAGES
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作者 Lothar Koch Thomas Roth +2 位作者 Gunter Gorge Michael Haude Raimund Erbel 《Chinese Medical Journal》 SCIE CAS CSCD 1995年第3期71-71,共1页
The purpose of the study is to reconstruct the coronary arteries in 3 dimension (3D) from serial intravascular ultrasound (IVUS) images generated during a pullback of IVUS catheter. Slowly pullback. real-time, cross-s... The purpose of the study is to reconstruct the coronary arteries in 3 dimension (3D) from serial intravascular ultrasound (IVUS) images generated during a pullback of IVUS catheter. Slowly pullback. real-time, cross-sectional IVUS images of 18 patients (2 with normal coronary arteries. 1 with coronary aneurysm. and 15 post PTCA) were obtained by using a 20 MHz. 3.5F IVUS catheter and recorded on video tape. A series of 90-frame consecutive IVUS images were digitized into a SUN Spare 11 workstation. Digitized data were reconstructed to 3D images with use of voxel space modeling and were generated in both sagittal and cylindrical formats. The sagittal format results in a longitudinal 展开更多
关键词 IVUS THREE-DIMENSIONAL RECONSTRUCTION OF twodimensional INTRAVASCULAR ULTRASOUND IMAGES PTCA
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SIMULTANEOUS QUANTITATION OF FIVE PANAX NOTOGINSENG SAPONINS IN EIGHT CHINESE PATENT MEDICINES BY MULTI HEART-CUTTING TWODIMENSIONAL LIQUID CHROMATOGRAPHY
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作者 Changliang Yao Wenzhi Yang +4 位作者 Wanying Wu Jinjun Hou Jingxian Zhang Yanhai Zhang Dean Guo 《World Journal of Traditional Chinese Medicine》 2015年第4期69-69,共1页
Current China Pharmacopoeia(ChP)standards employ diversified and case-dependent assay methods to evaluate the quality of different Chinese patent medicines(CPM)that contain Panax notoginseng as the monarch drug.This s... Current China Pharmacopoeia(ChP)standards employ diversified and case-dependent assay methods to evaluate the quality of different Chinese patent medicines(CPM)that contain Panax notoginseng as the monarch drug.This study is aimed to develop a two-dimensional liquid chromatography(2D LC)based assay approach to unify and simplify the quality assessment of Notoginseng containing CPMs.Multi heart-cutting 2D LC(MHC-2D LC)was used to separate and quantify five major 展开更多
关键词 MHC SIMULTANEOUS QUANTITATION OF FIVE PANAX NOTOGINSENG SAPONINS IN EIGHT CHINESE PATENT MEDICINES BY MULTI HEART-CUTTING twodimensional LIQUID CHROMATOGRAPHY
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Speckle tracking echocardiography to assess regional ventricular function in patients with apical hypertrophic cardiomyopathy 被引量:8
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作者 María Cristina Saccheri Tomás Francisco Cianciulli +7 位作者 Luis Alberto Morita Ricardo JoséMéndez Martín Alejandro Beck Juan Enrique Guerra Alberto Cozzarin Luciana Jimena Puente Lorena Romina Balletti Jorge Alberto Lax 《World Journal of Cardiology》 CAS 2017年第4期363-370,共8页
AIM To explore regional systolic strain of midwall and endocardial segments using speckle tracking echocardiography in patients with apical hypertrophic cardiomyopathy(HCM).METHODS We prospectively assessed 20 patient... AIM To explore regional systolic strain of midwall and endocardial segments using speckle tracking echocardiography in patients with apical hypertrophic cardiomyopathy(HCM).METHODS We prospectively assessed 20 patients(mean age 53 ± 16 years,range:18-81 years,10 were male),with apical HCM. We measured global longitudinal peak systolic strain(GLPSS) in the midwall and endocardium of the left ventricle. RESULTS The diastolic thickness of the 4 apical segments was 16.25 ± 2.75 mm. All patients had a normal global systolicfunction with a fractional shortening of 50% ± 8%. In spite of supernormal left ventricular(LV) systolic function,midwall GLPSS was decreased in all patients,more in the apical(-7.3% ±-8.8%) than in basal segments(-15.5% ±-6.93%),while endocardial GLPPS was significantly greater and reached normal values(apical:-22.8% ±-7.8%,basal:-17.9% ±-7.5%). CONCLUSION This study shows that two-dimensional strain was decreased mainly confined to the mesocardium,while endocardium myocardial deformation was preserved in HCM and allowed to identify subclinical LV dysfunction. This transmural heterogeneity in systolic strain had not been previously described in HCM and could be explained by the distribution of myofibrillar disarray in deep myocardial areas. The clinical application of this novel finding may help further understanding of the pathophysiology of HCM. 展开更多
关键词 Apical hypertrophic cardiomyopathy twodimensional strain Speckle tracking ENDOCARDIUM Midwall Regional myocardial systolic function
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Identification of proteins of human colorectal carcinoma cell line SW480 by two-dimensional electrophoresis and MALDI-TOF mass spectrometry 被引量:1
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作者 Ying-Tao Zhang Yi-Ping Geng +3 位作者 Le Zhou Bao-Chang Lai Lv-Sheng Si Yi-Li Wang 《World Journal of Gastroenterology》 SCIE CAS CSCD 2005年第30期4679-4684,共6页
AIM: To conduct bhe proteomic analysis of human colorectal carcinoma cell line, SW480 by using two-dimensional electrophoresis (2-DE) and matrix-assisted laser desorption /ionization-time of flight mass spectromet... AIM: To conduct bhe proteomic analysis of human colorectal carcinoma cell line, SW480 by using two-dimensional electrophoresis (2-DE) and matrix-assisted laser desorption /ionization-time of flight mass spectrometry (MALDITOFMS). METHODS: The total proteins of human colorectal carcinoma cell line, SW480 were separated with 2-DE by using immobilized pH gradient strips and visualized by staining with silver nitrate. The gel images were acquired by scanner and 2-DE analysis software, Image Master 2D Elite. Nineteen distinct protein spots were excised from gel randomly and digested in gel by TPCK-trypsin. Mass analysis of the byptic digest peptides mixture was performed by using MALDI-TOF MS. Peptide mass fingerprints (PMFs) obtained by the MALDI-TOF analysis were used to search NCBI, SWISS-PROT and MSDB databases by using Mascot software. RESULTS: PMF maps of all spots were obtained by MALDI-TOF MS and thirteen proteins were preliminarily identified. CONCLUSION: The methods of analysis and identification of protein spots of tumor cells in 2-DE gel with silver staining by MALDI-TOF MS derived PMF have been established. Protein expression profile of SW480 has been obtained. It is demonstrated that a combination of proteomics and cell culture is a useful approach to comprehend the process of colon carcinogenesis. 展开更多
关键词 Colorectal carcinoma SW480 cell line twodimensional electrophoresis MALDI-TOF MS Peptide mass fingerprinting
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Toward intrinsic room-temperature ferromagnetism in two-dimensional semiconductors
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作者 Fanlong Ning 《Journal of Semiconductors》 EI CAS CSCD 2019年第8期1-1,共1页
Two-dimensional (2D) ferromagnetic semiconductors have been recognized as the most promising candidates for next-generation low-cost, high-performance and nano-scale spintronic applications such as spin field-effect t... Two-dimensional (2D) ferromagnetic semiconductors have been recognized as the most promising candidates for next-generation low-cost, high-performance and nano-scale spintronic applications such as spin field-effect transistors and quantum computation/communication. However, as one of the 125 important scientific issues raised by Science journal in 2005 that "is it possible to create magnetic semiconductors that work at room temperature?", how to achieve a feasible ferromagnetic semiconductor with high Curie temperature is still a long-standing challenge despite of tremendous efforts have been devoted in this field since 1960s. The recent discovery of 2D ferromagnetic semiconductors Cr2Ge2Te6 and CrI3 has evoked new research interests in 2D intrinsic ferromagnetic semiconductors. But the low Curie temperature (<45 K) of these materials is still badly hindering their industrial applications. 展开更多
关键词 INTRINSIC room-temperature FERROMAGNETISM twodimensional SEMICONDUCTORS next-generation low-cost
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A-HIGH-ORDER ACCURACY EXPLICIT DIFFERENCE SCHEME FOR SOLVING THE EQUATION OF TWO-DIMENSIONAL PARABOLIC TYPE
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作者 马明书 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 1996年第11期1075-1079,共5页
In this paper. a three explicit difference shcemes with high order accuracy for solving the equations of two-dimensional parabolic type is proposed. The stability condition is r=△t/△x ̄ 2=△t/△y ̄2≤1/4 and the... In this paper. a three explicit difference shcemes with high order accuracy for solving the equations of two-dimensional parabolic type is proposed. The stability condition is r=△t/△x ̄ 2=△t/△y ̄2≤1/4 and the truncation error is O (△t ̄2 + △x ̄4 ). 展开更多
关键词 high-order accuracy explicit difference scheme equation of twodimensional parabolic type
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A TCAM-based Two-dimensional Prefix Packet Classification Algorithm
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作者 王志恒 刘刚 白英彩 《Journal of Donghua University(English Edition)》 EI CAS 2004年第1期39-45,共7页
Packet classification (PC) has become the main method to support the quality of service and security of network application. And two-dimeusioual prefix packet classification (PPC) is the popular one. This paper analyz... Packet classification (PC) has become the main method to support the quality of service and security of network application. And two-dimeusioual prefix packet classification (PPC) is the popular one. This paper analyzes the problem of ruler conflict, and then presents a TCAM-based two-dimensional PPC algorithm. This algorithm makes use of the parallelism of TCAM to lookup the longest prefix in one instruction cycle. Then it uses a memory image and associated data structures to eliminate the conflicts between rulers, and performs a fast two-dimeusional PPC. Compared with other algorithms, this algorithm has the least time complexity and less space complexity. 展开更多
关键词 Ternary Content Addressable Memory (TCAM ) packet classification algorithm twodimensional prefix packet classification
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Different optical properties in different periodic slot cavity geometrical morphologies
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作者 周静 沈萌 +3 位作者 杜澜 邓彩松 倪海彬 王鸣 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第9期500-506,共7页
In this paper,optical properties of two-dimensional periodic annular slot cavity arrays in hexagonal close-packing on a silica substrate are theoretically characterized by finite difference time domain(FDTD) simulat... In this paper,optical properties of two-dimensional periodic annular slot cavity arrays in hexagonal close-packing on a silica substrate are theoretically characterized by finite difference time domain(FDTD) simulation method.By simulating reflectance spectra,electric field distribution,and charge distribution,we confirm that multiple cylindrical surface plasmon resonances can be excited in annular inclined slot cavities by linearly polarized light,in which the four reflectance dips are attributed to Fabry–Perot cavity resonances in the coaxial cavity.A coaxial waveguide mode TE11 will exist in these annular cavities,and the wavelengths of these reflectance dips are effectively tailored by changing the geometrical pattern of slot cavity and the dielectric materials filled in the cavities.These resonant wavelengths are localized in annular cavities with large electric field enhancement and dissipate gradually due to metal loss.The formation of an absorption peak can be explained from the aspect of phase matching conditions.We observed that the proposed structure can be tuned over the broad spectral range of 600–4000 nm by changing the outer and inner radii of the annular gaps,gap surface topography.Meanwhile,different lengths of the cavity may cause the shift of resonance dips.Also,we study the field enhancement at different vertical locations of the slit.In addition,dielectric materials filling in the annular gaps will result in a shift of the resonance wavelengths,which make the annular cavities good candidates for refractive index sensors.The refractive index sensitivity of annular cavities can also be tuned by the geometry size and the media around the cavity.Annular cavities with novel applications can be implied as surface enhanced Raman spectra substrates,refractive index sensors,nano-lasers,and optical trappers. 展开更多
关键词 cylindrical surface plasmons finite difference time domain Fabry–Perot cavity resonances twodimensional periodical structure
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Metal and ligand modification modulates the electrocatalytic HER,OER,and ORR activity of 2D conductive metal-organic frameworks
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作者 Yanan Zhou Li Sheng +3 位作者 Lanlan Chen Wenhui Zhao Wenhua Zhang Jinlong Yang 《Nano Research》 SCIE EI CSCD 2024年第9期7984-7990,共7页
It is highly desirable to design efficient and stable hydrogen evolution reaction(HER)and oxygen evolution/reduction reaction(OER/ORR)electrocatalysts for the development of renewable energy technologies.Herein,densit... It is highly desirable to design efficient and stable hydrogen evolution reaction(HER)and oxygen evolution/reduction reaction(OER/ORR)electrocatalysts for the development of renewable energy technologies.Herein,density functional theory(DFT)calculations were conducted to systematically investigate a series of TMN_(x)O_(4-x)-HTT(TM=Fe,Co,Ni,Ru,Rh,Pd,Ir and Pt;HTT=hexahydroxy tetraazanaphthotetraphene)analogs of two-dimensional(2D)conductive metal-organic frameworks(MOFs)as potential electrocatalysts for the HER,OER and ORR.The thermodynamic and electrochemical stability simulations suggest that these designed catalysts are stable.Remarkably,CoO_(4)-HTT,RhN_(3)O_(1)-HTT and IrN3O1-HTT are predicted to be the most promising catalysts for the HER,OER and ORR,respectively,surpassing the catalytic activity of corresponding benchmark catalysts.The volcano plots were established based on the scaling relationship of adsorption Gibbs free energy of intermediates.The results reveal that regulating combinations of metal active centers and local coordination environments could effectively balance the interaction strength between intermediates and catalysts,thus achieving optimal catalytic activity.Our findings not only opt for the promising HER/OER/ORR electrocatalysts but also guide the design of efficient electrocatalysts based on 2D MOFs materials. 展开更多
关键词 hydrogen evolution reaction(HER) oxygen evolution/reduction reaction(OER/ORR) electrocatalysts design twodimensional(2D)conductive metal-organic frameworks(MOFs) density functional theory(DFT)
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A Genuinely Two-Dimensional HLL-Type Approximate Riemann Solver for Hypo-Elastic Plastic Flow
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作者 Zhiqiang Zeng Chengliang Feng +2 位作者 Xiaotao Zhang Shengtao Zhang Tiegang Liu 《Communications in Computational Physics》 SCIE 2023年第7期318-356,共39页
In this work,a genuinely two-dimensional HLL-type approximate Riemann solver is proposed for hypo-elastic plastic flow.To consider the effects of wave interaction from both the x-and y-directions,a corresponding 2D el... In this work,a genuinely two-dimensional HLL-type approximate Riemann solver is proposed for hypo-elastic plastic flow.To consider the effects of wave interaction from both the x-and y-directions,a corresponding 2D elastic-plastic approximate solver is constructed with elastic-plastic transition embedded.The resultant numerical flux combines one-dimensional numerical flux in the central region of the cell edge and two-dimensional flux in the cell vertex region.The stress is updated separately by using the velocity obtained with the above approximate Riemann solver.Several numerical tests,including genuinely two-dimensional examples,are presented to test the performances of the proposed method.The numerical results demonstrate the credibility of the present 2D approximate Riemann solver. 展开更多
关键词 Elastic plastic flow elastic-plastic transition multi-dimensional effect twodimensional approximate Riemann solver
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Covalent Organic Frameworks for Energy Conversions:Current Status,Challenges,and Perspectives 被引量:4
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作者 Shanshan Tao Donglin Jiang 《CCS Chemistry》 CAS 2021年第1期2003-2024,共22页
Energy conversion into clean fuels is critical to society’s health benefits and sustainable future;thus,exploring materials to enable and facilitate energy conversions with reduced climate-related emissions is a cent... Energy conversion into clean fuels is critical to society’s health benefits and sustainable future;thus,exploring materials to enable and facilitate energy conversions with reduced climate-related emissions is a central subject of science and technology.Covalent organic frameworks(COFs)are a class of polymers that enables predesign of both primary-and high-order structures and precise synthesis of long-range structures through one-pot polymerization.Progress over the past 15 years in chemistry has dramatically enhanced our capability of designing and synthesizing COFs and deepening our understanding to explore energy-converting functions that originate from their ordered skeletons and channels.In this minireview,we summarize general strategies for predesigning skeletons and channels and analyze the structural requirements for each type of energy conversion.We demonstrate synthetic approaches to develop energy conversion functions,that is,photocatalytic and electrocatalytic conversions.Further,we scrutinize energy conversion features by disclosing interplays of COFs with photons,holes,electrons,and molecules,highlighting the role of structural orderings in energy conversions.Finally,we have predicted the challenging issues in molecular design and synthesis,and thought of future directions toward advancement in this field,and show perspectives from aspects of chemistry,physics,and materials science,aimed at unveiling a full picture of energy conversions based on predesignable organic architectures. 展开更多
关键词 covalent organic frameworks topology diagram POLYMERIZATION CRYSTALLIZATION twodimensional polymers energy conversion
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Two-dimensional magnetic transition metal chalcogenides 被引量:8
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作者 Yu Li Huang Wei Chen Andrew T.S.Wee 《SmartMat》 2021年第2期139-153,共15页
The field of two-dimensional(2D)magnets has expanded rapidly during the past several years since the first demonstration of intrinsic 2D magnetism in atomically thin CrI_(3) and Cr_(2)Ge_(2)Te_(6) in 2017.2D transitio... The field of two-dimensional(2D)magnets has expanded rapidly during the past several years since the first demonstration of intrinsic 2D magnetism in atomically thin CrI_(3) and Cr_(2)Ge_(2)Te_(6) in 2017.2D transition metal chalcogenides(TMCs),a class of strongly correlated materials,have exhibited a wide variety of novel electronic and optical properties,and more recently magnetism.Here,we review recent experimental progress achieved in the growth of 2D magnetic TMC materials using chemical vapor deposition and molecular beam epitaxy methods.Outstanding examples include the demonstration of room temperature intrinsic and extrinsic ferromagnetism in monolayer VSe_(2),MnSe_(2),Cr_(3)Te_(4),V-doped WSe_(2),and so on.A brief discussion on the origin of the exotic magnetic properties and emergent phenomena is also presented.Finally,we summarize the remaining challenges and future perspective on the development of 2D magnetic materials for next-generation spintronic devices. 展开更多
关键词 chemical vapor deposition molecular beam epitaxy transition metal chalcogenides twodimensional magnets
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Light-matter interactions in high quality manganesedoped two-dimensional molybdenum diselenide 被引量:1
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作者 Sheng Liu Yaze Wu +6 位作者 Xue Liu res Granados del Aguila Fengyuan Xuan Apoorva Chaturvedi Hua Zhang Su Ying Quek Qihua Xiong 《Science China Materials》 SCIE EI CAS CSCD 2021年第10期2507-2518,共12页
Introducing magnetic dopants into twodimensional transition metal dichalcogenides has recently attracted considerable attention due to its promising applications in spintronics and valleytronics.Herein we realized man... Introducing magnetic dopants into twodimensional transition metal dichalcogenides has recently attracted considerable attention due to its promising applications in spintronics and valleytronics.Herein we realized manganese-doped molybdenum diselenide(MoSe_(2))single crystal via chemical vapor transport(CVT)reaction,containing up to 2.9%(atomic concentration)Mn dopants,and investigated the light-matter interaction in these samples.We observed a suppressed trion intensity,a longer photoluminescence lifetime,and prominent blue-and red-shift of E_(2g)^(2)(in-plane)and A_(1g)(out-of-plane)Raman modes,respectively.Moreover,the Mn dopants increase the valley Zeeman splitting of the MoSe_(2) monolayer by~50%,while preserving the linear dependence on magnetic field.First-principles calculations indicate that the spin-polarized deep level defect states are formed due to the Mn substitutional dopants in the Mo Se_(2) lattice.The resulting defect potential favors the funnelling of excitons towards the defects.The Mn dopants reduce the magnitude of the interatomic force constants,explaining the red-shift of the A_(1g)mode.The Mn atoms and their immediate Mo and Se neighbors carry significant magnetic moments,which enhance the observed exciton g-factors due to the exchange interactions affecting defect-bound excitons. 展开更多
关键词 first-principles calculations exciton funnelling twodimensional semiconductor magnetic doping valley-Zeeman effect
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A Review of Wideband Wide-Angle Scanning 2-D Phased Array and Its Applications in Satellite Communication 被引量:2
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作者 Yan Li Shaoqiu Xiao Jiajia Guo 《Journal of Communications and Information Networks》 2018年第1期21-30,共10页
In this review,research progress on the wideband wide-angle scanning two-dimensional phased arrays is summarized.The importance of the wideband and the wide-angle scanning characteristics for satellite communication i... In this review,research progress on the wideband wide-angle scanning two-dimensional phased arrays is summarized.The importance of the wideband and the wide-angle scanning characteristics for satellite communication is discussed.Issues like grating lobe avoidance,active reflection coefficient suppression and gain fluctuation reduction are emphasized in this review.Besides,techniques to address these issues and methods to realize the wideband wide-angle scanning phased array are reviewed. 展开更多
关键词 WIDEBAND wide-angle scanning twodimensional phased array satellite communication
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Effects of Fuzheng Huayu Decoction on plasma proteome in cirrhosis:preliminary experimental study with rats
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作者 Jie LIU Jiyao WANG +2 位作者 Liming WEI Ye LU Hong JIN 《Frontiers of Medicine》 SCIE CSCD 2008年第1期39-44,共6页
The aim of this paper is to study the effects of Fuzheng Huayu Decoction on the plasma proteome in cirrhotic rats.Twenty-six male Sprague-Dawley(SD)rats were randomly divided into three groups:cirrhotic model group(n5... The aim of this paper is to study the effects of Fuzheng Huayu Decoction on the plasma proteome in cirrhotic rats.Twenty-six male Sprague-Dawley(SD)rats were randomly divided into three groups:cirrhotic model group(n510),treated with CCl_(4)(CCl_(4)/olive oil:v/v51:1);Fuzheng Huayu Decoction intervention group(n510),treated with CCl_(4)+Fuzheng Huayu Decoction;and normal control group(n56),treated with olive oil only.After 8 weeks,blood samples were collected from the inferior vena cava to undergo bi-dimensional electrophoresis(2DE)and analysis by PDQuest 7.3 software.Differential protein spots were cut,enzyme hydrolysis was conducted,and peptide fragments extracted from the mixture underwent mass spectrometry(MS)with MALDI-TOF-TOF-MS.The liver fibrogenesis was assessed using a digital image analysis instrument of Masson’s trichrome stained sections.The fibrosis area of the Fuzheng Huayu Decoction was(8.9±3.7)%,significantly smaller than that of the cirrhotic model group[(12.4±4.7)%,P<0.05].Ten markedly changed protein spots were identified by MALDI-TOFTOF-MS.Eight of the 10 proteins,including plasma glutathione peroxidase,plasma glutathione peroxidase precursor,prealbumin,haptoglobin,apolipoprotein A-IV precursor,complement C4,inter-alpha-inhibitor H4 heavy chain,and serine/threonine-protein kinase microtubuleaffinity regulating kinase 1(MARK1)were expressed very lowly in the cirrhotic model group while they were expressed highly in the Fuzheng Huayu Decoction group.The expression of liver regeneration-related protein LRRG03 and vimentin increased in the cirrhotic model group,and reduced in the FuzhengHuayu Decoction group.Some proteins related to oxidative stress,cell proliferation and transformation have changed in the plasma of cirrhosis induced by CCl_(4).Fuzheng Huayu Decoction promotes protein synthesis and plays an anti-fibrotic role by antioxidation and accommodation of cell proliferation and transformation. 展开更多
关键词 CIRRHOSIS PROTEOME eletrophoresis twodimensional gel drugs Chinese herbal Fuzheng Huayu decoction
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Double-sided surface functionalization: An effective approach to stabilize and modulate the electronic structure of graphene-like borophene
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作者 Xiao Tang Jinxing Gu +2 位作者 Jing Shang Zhongfang Chen Liangzhi Kou 《InfoMat》 SCIE CAS 2021年第3期327-336,共10页
Graphene-like borophene was theoretically proposed and recently synthesized on Al(111)surface,however,how to conquer its structural instability is still an open question.By means of density functional theory computati... Graphene-like borophene was theoretically proposed and recently synthesized on Al(111)surface,however,how to conquer its structural instability is still an open question.By means of density functional theory computations,we theoretically predicted that honeycomb borophene can be well stabilized by double-sided surface passivation with monovalent functional groups(X=F,Cl,Br,I,OH,and NH2)due to the electron redistributions.The system undergoes the transition from metallic to semiconducting upon functionalization,while the energy gap depends on the choice of functional groups.Under external strain,the gap values can be manipulated over a broad range.Our further calculations indicated that the functionalized borophene possesses moderate and anisotropic carrier mobility,which is comparable to or even higher than some 2D materials such as MoS2 and phosphorene.Our work provides a feasible strategy to effectively stabilize the graphene-like borophene and tune the electronic properties with great potentials for electronic applications. 展开更多
关键词 density functional theory calculations graphene-like borophene surface functionalization twodimensional materials
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