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DETERMINE评分与急性心肌梗死PCI术预后关系的分析
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作者 李加乐 刘泽岩 程景林 《中文科技期刊数据库(引文版)医药卫生》 2024年第5期0051-0054,共4页
探讨DETERMINE评分(病理性Q波导联数*2+碎裂QRS波导联数+T波倒置导联数)与急性心肌梗死患者经皮冠状动脉介入(PCI)术后预后的关系。方法 选择2021.1-2022.12在我院住院接受PCI治疗的急性心肌梗死患者206例,根据预后情况分为预后良好组(... 探讨DETERMINE评分(病理性Q波导联数*2+碎裂QRS波导联数+T波倒置导联数)与急性心肌梗死患者经皮冠状动脉介入(PCI)术后预后的关系。方法 选择2021.1-2022.12在我院住院接受PCI治疗的急性心肌梗死患者206例,根据预后情况分为预后良好组(165例)和预后不良组(41例)。比较两组患者的临床资料及DETERMINE评分,采用多因素Logistic回归法分析影响急性心肌梗死PCI术后预后的相关因素;创建受试者工作特征曲线(ROC),分析DETERMINE评分对急性心肌梗死PCI术后预后的预测价值。分析急性心肌梗死PCI术预后不良的影响因素。结果 与预后良好组比较,预后不良组糖尿病史、心律失常史比例及DETERMINE评分、年龄、体重指数、左室射血分数、糖化血红蛋白、低密度脂蛋白胆固醇、总胆固醇水平均显著升高,差异具有统计学意义;二元Logistic回归分析显示DETERMINE评分、心律失常史、体重指数、糖化血红蛋白、低密度脂蛋白胆固醇是冠心病患者PCI手术预后不良的独立危险因素(OR=1.443~15.658,P<0.05)。结论 DETERMINE评分与冠心病PCI术预后相关,需引起临床关注。 展开更多
关键词 determine评分 急性心肌梗死 PCI术后 预后
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The Role of Electrocardiogram DETERMINE Score in Prediction of Coronary Artery Disease Severity
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作者 Ismail N. El-Sokkary Essam Ahmed Khalil +5 位作者 Mohammed Wael Badawi Ibrahim K. Gamil Shousha Abdalla A. Elsebaey Mohamed Kamal Rehan Mahmoud Ibrahim Elshamy Yasser Ahmed Sadek 《World Journal of Cardiovascular Diseases》 CAS 2024年第9期567-580,共14页
Background: A major cause of mortality and disability on a global scale is myocardial infarction (MI). These days, the most reliable way to detect and measure MI is via cardiovascular magnetic resonance imaging (CMR).... Background: A major cause of mortality and disability on a global scale is myocardial infarction (MI). These days, the most reliable way to detect and measure MI is via cardiovascular magnetic resonance imaging (CMR). Aims and Objectives: To evaluate the effectiveness of the Electrocardiogram DETERMINE Score in predicting the severity of coronary artery disease (CAD) in patients who have experienced an Acute Myocardial Infarction (AMI) & to assess improvements in left ventricular function at 6 months following coronary artery bypass grafting (CABG). Subjects and Methods: This Observational cohort study was done at the Cardiology and Radiology department and cardiac surgery department, Al-Azhar university hospitals and Helwan University hospital. The study involved 700 cases who patients diagnosed with Acute Myocardial Infarction and fulfilled specific criteria for selection. Result: There was highly statistically significant relation between Myocardial infarction size and ECG Marker Score as mean infarct size elevated When the number of ECG markers increased. There was a highly statistically significant relation between myocardial infarct segments, myocardial infarction size and improvement of cardiac function 6 months post-CABG. Conclusion: The study found that larger myocardial infarctions corresponded with higher DETERMINE Scores. It concluded that an ECG-based score better estimates infarct size than LVEF alone. Additionally, there was a significant statistical correlation between the size and segmentation of myocardial infarction and better cardiac function six months after CABG. 展开更多
关键词 Electrocardiogram determine Score Coronary Artery Disease OUTCOME Acute Myocardial Infarction Coronary Artery Bypass Grafting
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Cryo-EM combined with image deconvolution to determine ZIF-8 crystal structure
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作者 吴抗 杨柏松 +3 位作者 薛文华 孙大鹏 葛炳辉 王玉梅 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期44-49,共6页
Metal–organic frameworks(MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.[1,2]It is challenging to visualize MOFs with transmissi... Metal–organic frameworks(MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.[1,2]It is challenging to visualize MOFs with transmission electron microscopy(TEM) due to their inherent instability under electron beam irradiation. Here, we employ cryo-electron microscopy(cryoEM) to capture images of MOF ZIF-8, revealing inverted-space structural information at a resolution of up to about 1.7A and enhancing its critical electron dose to around 20 e^(-)/A^(2). In addition, it is confirmed by electron-beam irradiation experiments that the high voltage could effectively mitigate the radiolysis, and the structure of ZIF-8 is more stable along the [100] direction under electron beam irradiation. Meanwhile, since the high-resolution electron microscope images are modulated by contrast transfer function(CTF) and it is difficult to determine the positions corresponding to the atomic columns directly from the images. We employ image deconvolution to eliminate the impact of CTF and obtain the structural images of ZIF-8. As a result, the heavy atom Zn and the organic imidazole ring within the organic framework can be distinguished from structural images. 展开更多
关键词 cryo-electron microscopy(cryo-EM) ZIF-8 image deconvolution crystal structure determination
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Determined Reverberant Blind Source Separation of Audio Mixing Signals
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作者 Senquan Yang Fan Ding +2 位作者 Jianjun Liu Pu Li Songxi Hu 《Intelligent Automation & Soft Computing》 SCIE 2023年第6期3309-3323,共15页
Audio signal separation is an open and challenging issue in the classical“Cocktail Party Problem”.Especially in a reverberation environment,the separation of mixed signals is more difficult separated due to the infl... Audio signal separation is an open and challenging issue in the classical“Cocktail Party Problem”.Especially in a reverberation environment,the separation of mixed signals is more difficult separated due to the influence of reverberation and echo.To solve the problem,we propose a determined reverberant blind source separation algorithm.The main innovation of the algorithm focuses on the estimation of the mixing matrix.A new cost function is built to obtain the accurate demixing matrix,which shows the gap between the prediction and the actual data.Then,the update rule of the demixing matrix is derived using Newton gradient descent method.The identity matrix is employed as the initial demixing matrix for avoiding local optima problem.Through the real-time iterative update of the demixing matrix,frequency-domain sources are obtained.Then,time-domain sources can be obtained using an inverse short-time Fourier transform.Experi-mental results based on a series of source separation of speech and music mixing signals demonstrate that the proposed algorithm achieves better separation performance than the state-of-the-art methods.In particular,it has much better superiority in the highly reverberant environment. 展开更多
关键词 determined mixtures reverberant environment audio signal separation cocktail party problem
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Climate Warming Mitigation from Nationally Determined Contributions 被引量:2
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作者 Bo FU Jingyi LI +7 位作者 Thomas GASSER Philippe CIAIS Shilong PIAO Shu TAO Guofeng SHEN Yuqin LAI Luchao HAN Bengang LI 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2022年第8期1217-1228,共12页
Individual countries are requested to submit nationally determined contributions(NDCs)to alleviate global warming in the Paris Agreement.However,the global climate effects and regional contributions are not explicitly... Individual countries are requested to submit nationally determined contributions(NDCs)to alleviate global warming in the Paris Agreement.However,the global climate effects and regional contributions are not explicitly considered in the countries’decision-making process.In this study,we evaluate the global temperature slowdown of the NDC scenario(ΔT=0.6°C)and attribute the global temperature slowdown to certain regions of the world with a compact earth system model.Considering reductions in CO_(2),CH_(4),N_(2)O,BC,and SO_(2),the R5OECD(the Organization for Economic Co-operation and Development in 1990)and R5ASIA(Asian countries)are the top two contributors to global warming mitigation,accounting for 39.3%and 36.8%,respectively.R5LAM(Latin America and the Caribbean)and R5MAF(the Middle East and Africa)followed behind,with contributions of 11.5%and 8.9%,respectively.The remaining 3.5%is attributed to R5REF(the Reforming Economies).Carbon Dioxide emission reduction is the decisive factor of regional contributions,but not the only one.Other greenhouse gases are also important,especially for R5MAF.The contribution of short-lived aerosols is small but significant,notably SO_(2)reduction in R5ASIA.We argue that additional species beyond CO_(2)need to be considered,including short-lived pollutants,when planning a route to mitigate climate change.It needs to be emphasized that there is still a gap to achieve the Paris Agreement 2-degree target with current NDC efforts,let alone the ambitious 1.5-degree target.All countries need to pursue stricter reduction policies for a more sustainable world. 展开更多
关键词 climate mitigation nationally determined contributions ATTRIBUTION regional contribution integrated assessment models
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A New Parameter of Cleanability to Determine the Clean Potential of Coal Resources 被引量:2
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作者 TANG Yuegang YANG Shuting WANG Xiaoshuai 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2017年第6期2338-2339,共2页
Objective This work is based on analysis on large numbers of coal data such as the latest national coal potential evaluation data and previous data published by REN Deyi, TANG Xiuyi and LU Xukun, and the evaluation m... Objective This work is based on analysis on large numbers of coal data such as the latest national coal potential evaluation data and previous data published by REN Deyi, TANG Xiuyi and LU Xukun, and the evaluation methods of clean potential of coal resources proposed by predecessors. It is found that previous method rank coal is only in accordance with raw coal or washed coal, which fail to take full account of the changes in elements before and after coal washing. Some elements can be removed by washing or other methods, and others may be even enriched after the coal is washed. For this reason, this work defined a new parameter of cleanability and developed its calculation formula to determine the clean potential of coal resources. Cleanability is a comprehensive indicator based on the removal rate of each indicator harmful element in coal. The clean potential of coal is proportional to the value of cleanability. The higher the cleanability value is, the better the clean potential is, and vice versa. 展开更多
关键词 Cleanability to determine the Clean Potential of Coal
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Comparing and evaluating the nationally determined contributions of the top six emitters under the Paris Agreement goals 被引量:1
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作者 Xunzhang Pan Jie Tao Hailin Wang 《Chinese Journal of Population,Resources and Environment》 2018年第3期211-219,共9页
Comparing and evaluating the Nationally Determined Contribution(NDC) is an important element in global stocktake in the post-Paris climate negotiations, aimed at closing the emissions gap with the Paris Agreement goal... Comparing and evaluating the Nationally Determined Contribution(NDC) is an important element in global stocktake in the post-Paris climate negotiations, aimed at closing the emissions gap with the Paris Agreement goals. To date, however, there has still been no explicit guideline or method. By applying emissions allowance allocated by 16 schemes as benchmarks, this paper tries to compare and evaluate the NDCs of the top six emitters, which jointly account for about 70% of the world's CO_2 emissions. Results show that the four developed countries' NDCs lack ambition with respect to most allocations under 2℃ and all under 1.5℃, indicating they need to substantially ratchet up their NDCs and lead elevating mitigation. Evaluating cumulative emissions is more likely to clarify the ambition and fairness of China's NDC. If considering cumulative emissions, China's NDC is aligned with the median of cumulative allowances under 2℃ and within the 1.5℃ range. The Paris Agreement invited the Parties to communicate the mid-century low emissions strategies. This paper also tries to explore the mid-century mitigation in the perspective of allocations, which might provide decision-makers with some useful information when envisaging the post-NDC mitigation. 展开更多
关键词 PARIS AGREEMENT nationally determined contribution top SIX EMITTERS emissions ALLOWANCE ALLOCATIONS midcentury mitigation
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Numerical Experiment of Combined Infrared and Ultraviolet Radiation Remote Sensing to Determine the Profile and Total Content of Atmospheric Ozone 被引量:1
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作者 程明虎 石广玉 周秀骥 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 1990年第3期305-319,共15页
A new remote sensing method is described to determine the vertical distribution and total content of atmospheric ozone. The method combines surface infrared, satellite infrared and ultraviolet channels. The width of t... A new remote sensing method is described to determine the vertical distribution and total content of atmospheric ozone. The method combines surface infrared, satellite infrared and ultraviolet channels. The width of the infrared channels is 0.01 cm-1, less than Lorentz half-width at the earth's surface, rather than the present width, because these channels can obtain information about variations in the ozone profile below the profile main-peak. The numerical experiments show that the method has a satisfactory precision in determining total ozone content, just about I percent error, and vertical distribution from the earth to 65 km space. In addition, some semi-analysis functions lor calculating backscattered ultraviolet and a relaxation equation are described in this paper. 展开更多
关键词 FIGURE SHOW Numerical Experiment of Combined Infrared and Ultraviolet Radiation Remote Sensing to determine the Profile and Total Content of Atmospheric Ozone
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KT Boundary Chromites Determined to be Terrestrial:Cr Isotopic Evidence for Excavation and Ejection of Mafic/Ultramafic Rocks by the KT Boundary Impact 被引量:1
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作者 Peter OLDS Mathew E.SANBORN +1 位作者 Tim TEAGUE YIN Qingzhu 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2017年第S1期26-27,共2页
Evidence for a mantle and/or basaltic component in KT boundary distal ejecta is apparently inconsistent with ejection from Chicxulub Crater since it is located on;5km thick continental crust(De Paolo et al.,1983;Mont... Evidence for a mantle and/or basaltic component in KT boundary distal ejecta is apparently inconsistent with ejection from Chicxulub Crater since it is located on;5km thick continental crust(De Paolo et al.,1983;Montanari et al.,1983;Hildebrand and Boynton,1988,1990).Evidence for mafic/ultramafic target rocks was reinforced by discovery of chromites,some with shock planar deformation features(PDF),in impact layer samples from sites in southern Colorado and eastern Wyoming(Bohor et al.,1990).However,until now it was unclear whether the chromites originated with an impactor or with terrestrial target rocks.To this end,high-precision 54Cr/52Cr isotope ratios were measured on KT boundary chromites along with known terrestrial chromites.We find a terrestrial 54Cr/52Cr ratio in KT boundary chromites from impact layer samples collected at the above sites over the last several years(Fig.1).Ejected terrestrial chromites suggest the impact sampled terrestrial mafic and/or ultramafic target rocks not known to exist in the Chicxulub target area. 展开更多
关键词 KT Boundary Chromites determined to be Terrestrial Cr Isotopic Evidence for Excavation and Ejection of Mafic/Ultramafic Rocks by the KT Boundary Impact
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determine用法种种
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作者 赵常玲 《英语辅导(高中年级)》 2002年第1期7-7,共1页
determine v.“决心、决定”。
关键词 determine 用法 高中 英语
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再论DETERMINER
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作者 国文 《昌潍师专学报》 1998年第3期56-57,共2页
Determiner 是国外语言学家提出的话法术语,在各种语法著作中当做词类介绍,国内语言学界将其译为"限定词"。作者在分析了其来源、构成、分类及作用等后,提出 Determiner 不应被视作"词",而应看作是词组成分,可译为&... Determiner 是国外语言学家提出的话法术语,在各种语法著作中当做词类介绍,国内语言学界将其译为"限定词"。作者在分析了其来源、构成、分类及作用等后,提出 Determiner 不应被视作"词",而应看作是词组成分,可译为"限定语"。 展开更多
关键词 determineR 限定词 词组成分 限定语
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An Improved Experiment to Determine the‘Past of a Particle’in the Nested Mach-Zehnder Interferometer
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作者 A.Ben-Israel L.Knips +4 位作者 J.Dziewior J.Meinecke A.Danan H.Weinfurter L.Vaidman 《Chinese Physics Letters》 SCIE CAS CSCD 2017年第2期4-6,共3页
We argue that the modification proposed by Li et al. [Chin. Phys. Lett. 32 (2015)050303] to the experiment of Danan et al. [Phys. Rev. Lett. 111 (2013) 240402] does not test the past of the photon as characterized... We argue that the modification proposed by Li et al. [Chin. Phys. Lett. 32 (2015)050303] to the experiment of Danan et al. [Phys. Rev. Lett. 111 (2013) 240402] does not test the past of the photon as characterized by local weak traces. Instead of answering the questions: (i) were the photons in A? (ii) were the photons in B? and (iii) were the photons in C? the proposed experiment measures a degenerate operator answering the questions: (i) were the photons in A? and (ii) were the photons in B and C together? A negative answer to the last question does not tell us if photons were present in B or C. On the other hand, a simple variation of the proposal by Li et al. does provide conceptually better evidence for the past of the pre- and post-selected photon, but this evidence will be in agreement with the results of Danan et al. 展开更多
关键词 LI In in the Nested Mach-Zehnder Interferometer An Improved Experiment to determine the
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Carrier Dynamics Determined by Carrier-Phonon Coupling in InGaN/GaN Multiple Quantum Well Blue Light Emitting Diodes
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作者 Sheng Cao Xiao-Ming Wu +1 位作者 Jun-Lin Liu Feng-Yi Jiang 《Chinese Physics Letters》 SCIE CAS CSCD 2019年第2期92-95,共4页
Phonon sidebands in the electrolumiescence(EL) spectra of InGaN/GaN multiple quantum well blue light emitting diodes are investigated. S-shaped injection current dependence of the energy spacing(ES) between the zero-p... Phonon sidebands in the electrolumiescence(EL) spectra of InGaN/GaN multiple quantum well blue light emitting diodes are investigated. S-shaped injection current dependence of the energy spacing(ES) between the zero-phonon and first-order phonon-assisted luminescence lines is observed in a temperature range of 100–150 K.The S-shape is suppressed with increasing temperature from 100 to 150 K, and vanishes at temperature above200 K. The S-shaped injection dependence of ES at low temperatures could be explained by the three stages of carrier dynamics related to localization states:(i) carrier relaxation from shallow into deep localization states,(ii) band filling of shallow and deep localization states, and(iii) carrier overflow from deep to shallow localization states and to higher energy states. The three stages show strong temperature dependence. It is proposed that the fast change of the carrier lifetime with temperature is responsible for the suppression of S-shaped feature.The proposed mechanisms reveal carrier recombination dynamics in the EL of InGaN/GaN MQWs at various injection current densities and temperatures. 展开更多
关键词 CARRIER Dynamics determined Carrier-Phonon Coupling INGAN/GAN Multiple Quantum Well BLUE Light EMITTING DIODES
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The Structural Stability of Alpha-Helix Determined by the Preference of Amino Acids
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作者 谢潇潇 李军委 +7 位作者 肖少英 刘玉芝 柳辉 耿金鹏 张素花 于慧 展永 安海龙 《Chinese Physics Letters》 SCIE CAS CSCD 2016年第2期145-148,共4页
To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secon... To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secondary structure is still unclear. Here we perform molecular simulations on a series of helical structures. Our data show that the dissociation energy of the helical structure is related to the preference of amino acids, and the electrostatic repulsion of the residue i and i + 3/4 with the same sign of charge destabilizes the alpha helix. 展开更多
关键词 of in on SHOW IS The Structural Stability of Alpha-Helix determined by the Preference of Amino Acids by
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Rectification of Ion Current Determined by the Nanopore Geometry:Experiments and Modelling
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作者 周大明 邓云生 +5 位作者 应翠凤 张月川 冯艳晓 黄绮梦 梁丽媛 王德强 《Chinese Physics Letters》 SCIE CAS CSCD 2016年第10期158-162,共5页
We provide a way to precisely control the geometry of a SiNx nanopore by adjusting the applied electric pulse. The pore is generated by applying the current pulse across a SiNx membrane, which is immersed in potassium... We provide a way to precisely control the geometry of a SiNx nanopore by adjusting the applied electric pulse. The pore is generated by applying the current pulse across a SiNx membrane, which is immersed in potassium chloride solution. We can generate single conical and cylindrical pores with different electric pulses. A theoretical model based on the Poisson and Nernst-Planck equations is employed to simulate the ion transport properties in the channel. In turn, we can analyze pore geometries by fitting the experimental current-voltage (I-V) curves. for the conical pores with a pore size of 0.5-2nm in diameter, the slope angles are around -2.5% to -10%. Moreover, the pore orifice can be enlarged slightly by additional repeating pulses. The conic pore lumen becomes close to a cylindrical channel, resulting in a symmetry I-V transport under positive and negative biases. A qualitative understanding of these effects will help us to prepare useful solid-nanopores as demanded. 展开更多
关键词 of on in IS IT by Rectification of Ion Current determined by the Nanopore Geometry:Experiments and Modelling
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An Ideal Experiment to Determine the ’Past of a Particle’ in the Nested Mach-Zehnder Interferometer
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作者 李福 Hashmi F. A. +1 位作者 张俊香 朱诗尧 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第5期10-13,共4页
An ideal experiment is designed to determine the past of a particle in the nested Mach-Zehnder interferometer (MZI) by using standard quantum mechanics with quantum non-demolition measurements. We find that when the... An ideal experiment is designed to determine the past of a particle in the nested Mach-Zehnder interferometer (MZI) by using standard quantum mechanics with quantum non-demolition measurements. We find that when the photon reaches the detector, it only follows one arm of the outer interferometer and leaves no trace in the inner MZI. When it goes through the inner MZI, it cannot reach the detector. Our result obtained from the standard quantum mechanics contradicts the statement based on two-state vector formulism, 'the photon did not enter the (inner) interferometer, the photon never left the interferometer, but it was there'. Therefore, the statement and also the overlapping claim are incorrect. 展开更多
关键词 in the Nested Mach-Zehnder Interferometer An Ideal Experiment to determine the Past of a Particle
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Computational Intelligence Determines Effective Rationality
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作者 Edward P.K.Tsang 《International Journal of Automation and computing》 EI 2008年第1期63-66,共4页
Rationality is a fundamental concept in economics. Most researchers will accept that human beings are not fully rational. Herbert Simon suggested that we are "bounded rational". However, it is very difficult to quan... Rationality is a fundamental concept in economics. Most researchers will accept that human beings are not fully rational. Herbert Simon suggested that we are "bounded rational". However, it is very difficult to quantify "bounded rationality", and therefore it is difficult to pinpoint its impact to all those economic theories that depend on the assumption of full rationality. Ariel Rubinstein proposed to model bounded rationality by explicitly specifying the decision makers' decision-making procedures. This paper takes a computational point of view to Rubinstein's approach. From a computational point of view, decision procedures can be encoded in algorithms and heuristics. We argue that, everything else being equal, the effective rationality of an agent is determined by its computational power - we refer to this as the computational intelligence determines effective rationality (CIDER) theory. This is not an attempt to propose a unifying definition of bounded rationality. It is merely a proposal of a computational point of view of bounded rationality. This way of interpreting bounded rationality enables us to (computationally) reason about economic systems when the full rationality assumption is relaxed. 展开更多
关键词 RATIONALITY bounded rationality computational intelligence ECONOMICS computational intelligence determines effective rationality (CIDER) theory.
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FINITE ELEMENT METHOD COMBINED WITH DYNAMIC PHOTOELASTIC ANALYSIS TO DETERMINE DYNAMIC STRESS-INTENSITY FACTORS
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作者 宁杰 钱伟长 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 1989年第10期909-914,共6页
The present paper is addressed to the finite element method combined with dynamic photoelastic analysis of propagating cracks, that is, on the basis of [1] by Chien Wei-zang, finite elements which incorporate the prop... The present paper is addressed to the finite element method combined with dynamic photoelastic analysis of propagating cracks, that is, on the basis of [1] by Chien Wei-zang, finite elements which incorporate the propagating crack-tip singularity intrinsic to two-dimensional elasticity are employed. THe relation between crack opening length and time step obtained from dynamic photoelaslie analysis is used as a definite condition for solving the dynamic equations and simulating the crack propagations as well As an example, the impact response of dynamie-bending-test specimen is investigated and the dynamic stress-intensity factor obtained from the mentioned finite element analysis and dynamic photoelasticity is in reasonable agreement with each other. 展开更多
关键词 FINITE ELEMENT METHOD COMBINED WITH DYNAMIC PHOTOELASTIC ANALYSIS TO determine DYNAMIC STRESS-INTENSITY FACTORS LENGTH
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Electronic and Optical Properties of TiS2 Determined from Generalized Gradient Approximation Study
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作者 Hamza El-Kouch Larbi El Farh +1 位作者 Jamal Sayah Allal Challioui 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第9期96-99,共4页
The electronic and optical properties of TiS2 are studied of density functional theory. A linearized and augmented by using an ab-initio calculation within the frame plane wave basis set with the generalized gradient ... The electronic and optical properties of TiS2 are studied of density functional theory. A linearized and augmented by using an ab-initio calculation within the frame plane wave basis set with the generalized gradient approximation as proposed by Perdew et al. is used for the energy exchange-correlation determination. The results show a metallic character of TiS2, and the plots of total and partial densities of states of TiS2 show the metallic character of the bonds and a strong hybridization between the states d of Ti and p of S below the Fermi energy. The optical properties of the material such as real and imaginary parts of dielectric constant (ε(w) = ε1(w) + iε2(w)), refractive index n(w), optical reflectivity R(w), for E / /x and E / /z are performed for the energy range of 0-.14 eV. 展开更多
关键词 TI ab Electronic and Optical Properties of TiS2 determined from Generalized Gradient Approximation Study
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Identification of Three Interactions to Determine the Conformation Change and to Maintain the Function of Kir2.1 Channel Protein
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作者 李军委 肖少英 +4 位作者 谢潇潇 于慧 张海林 展永 安海龙 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第2期163-165,共3页
We find that a conserved mutation residue Glu to residue Asp (E303D), which both have the same polar and charged properties, makes Kit2.1 protein lose its function. To understand the mechanism, we identify three int... We find that a conserved mutation residue Glu to residue Asp (E303D), which both have the same polar and charged properties, makes Kit2.1 protein lose its function. To understand the mechanism, we identify three interactions which control the conformation change and maintain the function of the Kit2.1 protein by combining homology modeling and molecular dynamics with targeted molecular dynamics. We find that the E303D mutation weakens these interactions and results in the loss of the related function. Our data indicate that not only the amino residues but also the interactions determine the function of proteins. 展开更多
关键词 In Identification of Three Interactions to determine the Conformation Change and to Maintain the Function of Kir2.1 Channel Protein
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