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101.
用Hartree-Fock(HF)和DFT-B3LYP方法,分别在较高基组6-31G**和6.311G**水平下,全优化计算了21种取代酚化合物.从中获得分予最高占用和最低空轨道能(EHOMO和ELUMO)、前线轨道能级差(△E=EHOMO-ELUMO)、分子总能量(ET)、氧原了所带的最高正电荷(QH+)、最负原子的静电荷(Q-)、分子偶极矩(μ)和分子体积(V)等描述符.结合文献中标题化合物对日本长腿蛙蝌蚪的毒性值(-logLC50)和辛醇/水分配系数(logKow),由线性同归方法成功建立包含10gKow、ELUMO和Q-的三参数QSAR模型.其中,模型(5)的复相关系数R2=0.944 8,交叉验证系数Q2=0.920 5,标准偏差SE=0.187,Fisher检验值F=98.390,故其预测能力较好.由此推断,标题物对日本长腿蛙蝌蚪的毒性作用分为2步,首先穿过细胞壁在细胞内富集,以logKow和Q-描述;其次与亲核试剂发生亲电反应,以风ELUMO表示. 相似文献
102.
Xin Zhang Zhangye Wang Ran Wang Zhonglei Yang Wei Chen Qunsheng Peng 《The Visual computer》2010,26(6-8):923-932
In recent years, several techniques have been proposed to simulate the gaze effect of the Human Visual System (HVS). It is believed that this effect is due to the foveation filtering. Current techniques to simulate the foveation filtering in computer graphics are either slow or suffer from artifacts and limitations. In this paper, we present a new approach of foveation filtering based on the Mipmap Pyramid of the current view by considering the relationship between the Gaussian kernel and Mipmap level. Due to the nonlinear Mipmap interpolation under the Bilateral Filtering scheme, we are able to simulate the foveation filtering more naturally and efficiently than in previous work. Moreover, a detail enhancement method based on the Cornsweet illusion is proposed to augment the gazing effect. We demonstrate our new approach with a variety of examples and provide comparisons with recent approaches. 相似文献
103.
Xin Ma Xinlong Xu Zheng Zheng Kun Wang Yalin Su Jiangfeng Fan Rui Zhang Lusheng Song Zhiyou Wang Jinsong Zhu 《Sensors and actuators. A, Physical》2010,157(1):9-14
An electro-optically modulated intensity interrogation method based on tunable waveguide coupled surface plasmon resonance sensors has been proposed. It has been theoretically and experimentally demonstrated that the proposed scheme can enable sensitive measurement of measurand variations. By modulating the refractive index in the waveguide layer, this interrogation method yields modulated signal whose amplitude is related to measurand's refractive index. This amplitude modulated signal offers a higher signal to noise ratio and eliminates additive noise in the sensor system. A preliminary investigation using saline buffers with different NaCl concentrations shows a resolution of 2.3 × 10?6 refractive index unit by our approach. Resolution can be controlled by the amplitude of the applied modulation voltage and can be further enhanced by optimizing the device structure or improving the electro-optical (E-O) coefficient of the E-O material. This approach is simple, stable, and promising for low-cost or multi-channel SPR biosensor applications. 相似文献
104.
介绍了双边开关磁阻直线电动机(LSRM)的组成、工作原理及其尺寸设计方法,给出了LSRM样机的尺寸设计结果,并采用有限元法分析LSRM磁场分布规律,进行磁场分段计算,从而得到了最大电感、最小电感和相绕组匝数。测试结果表明,该LSRM样机启动力较大且出力不受电流方向影响,但也存在出力有脉动和噪声较大等问题,该问题可通过优化结构设计和控制算法解决。 相似文献
105.
106.
Research on fine tuning stabilization properties has received attention for more than a decade. This paper presents probabilistic algorithms for fault containment. We demonstrate two exercises in fault containment in a weakly stabilizing system, which expedite recovery from single failures, and confine the effect of any single fault to the constant-distance neighborhood of the faulty process. The most significant aspect of the algorithms is that the fault gap, defined as the smallest interval after which the system is ready to handle the next single fault with the same efficiency, is independent of the network size. We argue that a small fault gap increases the availability of the fault-free system. 相似文献
107.
In the literature, more and more clues show that the bidders indeed tend to risk averse. But as a good structure estimation
procedure in first-price sealed-bid auctions, the traditional PPMLE (Piecewise Pseudo-Maximum Likelihood Estimation) approach
is only applicable to the risk neutrality case. This study generalizes this approach to the risk aversion case, and obtains
a simple estimation procedure for the Pareto family of private costs. In the procedure, the estimation order of distribution
parameters of private costs is not important, which is different from the traditional PPMLE method. Though there is no unique
estimator for θ
1 and γ, some guidance is given for real-world applications on the basis of our Monte Carlo simulation experiments. What’s more,
this procedure can be reduced further, if one is only interested in estimating the private costs. Extensive simulation experimental
results indicate that our approach outperforms or matches at least the traditional one in the case of risk neutrality, and
is applicable to the risk aversion case. 相似文献
108.
<正>嵌入式开发人员面临着用更少资源做更多事情的压力,他们不但要增强性能应用和连通性,而且要降低成本,加快产品上市。为了帮助开发人员成功应对设计 相似文献
109.
Huan Xie Xin Luo Xiong Xu Haiyan Pan Xiaohua Tong 《International journal of remote sensing》2016,37(8):1826-1844
The successful launch of the Landsat 8 satellite continues the Earth observation of the Landsat series, which has been taking place for nearly 40 years. With the increase in the band number and the improved spectral range compared with the previous Landsat imagery, it will be possible to expand the application of the new Landsat 8 imagery. The purpose of this study is to explore water extraction based on the new Landsat 8 Operational Land Imager (OLI) imagery. According to the specific inland water conditions (clear water, turbid water, and eutrophic water), a number of highly adaptable water indices are assessed for water extraction using Landsat OLI imagery. The results show that clear water is the easiest to extract among the different types of waterbodies, with the highest average accuracy of 97%. The highest-accuracy methods are the automated water extraction index for shadow pixels (AWEIsh), the normalized difference water index using bands 4 and 7 (NDWI47), and the normalized difference water index using bands 3 and 7 (NDWI37), with accuracies of 98.55%, 95.50%, and 96.61%, corresponding to clear water, turbid water, and eutrophic water, respectively. Through the analysis of the different methods for optimal band selection, the seventh band OLI7 (shortwave infrared 2, SWIR-2) of Landsat OLI shows the best performance in water identification. When applying the water indices to water extraction, Otsu’s algorithm has been used to automatically select the water threshold. Using extensive experiments with Otsu’s algorithm and a manual method, it was found that Otsu’s algorithm can replace manual selection and has the ability to select an accurate threshold for water extraction. 相似文献
110.