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1.
2.
近年来,机器学习等人工智能技术被应用于蛋白质工程,其在蛋白质结构、功能预测、催化活性等研究中具有独特优势。在未知蛋白质结构的情况下,将蛋白质序列和功能特性与机器学习相结合,基于序列-活性关系(innovative sequence-activity relationship,ISAR)算法,将蛋白质氨基酸序列数字化,用快速傅里叶变换(fast four transform,FFT)进行预处理,再进行偏最小二乘回归建模,可在数据集较少情况下拟合得到最佳模型。通过机器学习对紫色球杆菌视紫红质(gloeobacter violaceus rhodopsin,GR)的突变体蛋白质氨基酸序列与光谱最大吸收波长进行建模,获得了最佳模型。用最佳索引LEVM760106建模得到的确定系数R2 为0.944,均方误差E为11.64。用小波变换进行的预处理,其R2 虽也约为0.944,但E大于11.64,不及FFT进行的预处理。方法较好地解决了蛋白质序列与功能特性之间的数学建模问题,在蛋白质工程中可为预测更优的突变体提供支持。 相似文献
3.
4.
M. Gai 《Physics of Atomic Nuclei》2006,69(11):1805-1811
The Standard Solar Model (BP04) predicts a total 8B neutrino flux that is 17.2% larger than that measured in the salt phase of the SNO detector (and if it is significant, it
will indicate oscillation to sterile neutrinos). Hence, it is important to examine in detail the uncertainties (and values)
of inputs to the BP04. Currently, the largest fractional uncertainty is due to the new evaluation of the surface composition
of the Sun. We examine the nuclear input on the formation of solar 8B [S
17(0)] and demonstrate that it is still quite uncertain due to the ill-known slope of the measured astrophysical cross section
factor and thus illdefined extrapolation to zero energy. This yields an additional reasonable uncertainty due to extrapolation
of
−3.0
+0.0
eV b (
−14%
+0%
). Since a large discrepancy exists between measured as well as predicted slopes, the value of S
17(0) is dependent on the choice of data and theory used to extrapolate S
17(0). This situation must be alleviated by new measurement(s). The “world average” is driven by the Seattle result owing to
the very small quoted uncertainty, which we, however, demonstrate to be an overestimated accuracy. We propose more realistic
error bars for the Seattle results based on the published Seattle data.
The text was submitted by the author in English. 相似文献
5.
Jianhu Yang Shixun Dai Nengli Dai Lei Wen Lili Hu Zhonghong Jiang 《Journal of luminescence》2004,106(1):9-14
Nonradiative decay of 4I13/2→4I15/2 transition of Er3+ has been investigated in a series of oxide glasses. For Er3+-doped glass samples, the Judd-Ofelt analysis on absorption spectra was performed and the fluorescence lifetime was determined by extrapolating to zero Er3+ concentration limit. Infrared spectra were measured in order to investigate the influence of OH− groups in different glasses. The effects of glass matrix on the decay rate were discussed from the viewpoint of phonon energy, variations of effective fields, and OH− groups. Compared to other glasses, phosphate glass presents low quantum efficiency and large nonradiative decay rate due to its high phonon energy and hygroscopic behavior. 相似文献
6.
Tm3+/Yb3+-codoped germanate-niobic (GN) and germanium-bismuth (GB) glasses have been synthesized by conventional melting and quenching method. Intense blue and weak red emissions centered at 477 and 650 nm, corresponding to the transitions 1G4→3H6 and 1G4→3H4, respectively, were observed at room temperature. The possible up-conversion mechanisms are discussed and estimated. GN glass showed a weaker up-conversion emission than GB glass, which is inconsistent with the prediction from the difference of maximum phonon energy between GN and GB glasses. In this paper, Raman spectroscopy was employed to investigate the origin of the difference in up-conversion luminescence in the two glasses. Compared with phonon side-band spectroscopy, Raman spectroscopy extracts more information including both phonon energy and phonon density. For the first time, our results reveal that, besides the maximum phonon energy, the phonon density of host glasses is also an important factor in determining the up-conversion efficiency. 相似文献
7.
Large-eddy-simulation of 3-dimensional Rayleigh-Taylor instability in incompressible fluids 总被引:1,自引:0,他引:1
The 3-dimensional incompressible Rayleigh-Taylor instability is numerically studied through the large-eddy-simulation ( LES)
approach based on the passive scalar transport model. Both the instantaneous velocity and the passive scalar fields excited
by sinusoidal perturbation and random perturbation are simulated. A full treatment of the whole evolution process of the instability
is addressed. To verify the reliability of the LES code, the averaged turbulent energy as well as the flux of passive scalar
are calculated at both the resolved scale and the subgrid scale. Our results show good agreement with the experimental and
other numerical work. The LES method has proved to be an effective approach to the Rayleigh-Taylor instability. 相似文献
8.
熔制了掺铒碲铌玻璃样品(100-X)TeO2-XNb2O5(X=5,10,15,20mol%),测试了其密度、折射率、转变温度、析晶温度、维氏机械强度、吸收光谱、荧光光谱、荧光寿命等参量。利用Judd-Ofelt和McCumber理论分别计算了铒离子强度参量Ωt(t=2,4,6)和受激发射截面σemi的大小,研究了掺铒碲铌玻璃样品光谱参量对Nb2O5成分的依赖性,并与典型的碲锌钠玻璃(75TeO2-20ZnO-5Na2O)在热学、机械强度、光谱性质和放大品行四个方面进行了比较. 相似文献
9.
光电变色器件用纳米晶氧化钛薄膜的微结构与特性 总被引:2,自引:2,他引:0
纳米晶TiO2薄膜在光电变色器件中具有很重要的作用。它的微结构直接影响染料的吸附、光的散射以及电荷输运的特性。因此,探索TiO2薄膜的微结构(如粒径、表面形貌和厚度等)及光电性能是非常有意义的。采用电子束蒸发工艺制备了光电变色器件用纳晶TiO2薄膜,利用原子力显微镜、X射线衍射、俄歇电子能谱等手段对纳米晶TiO2薄膜的表面形貌、结晶状态及组分进行了分析。从理论上研究和讨论了纳米晶TiO2薄膜晶粒尺寸对光电性能的影响,并用量子限制效应解释了吸收光谱峰值波长随粒径减小而发生蓝移的现象。 相似文献
10.
This paper is concerned with the existence of positive solutions of two-point Dirichlet singular and nonsingular boundary problems for second-order quasi-linear differential equations with changing sign nonlinearities. 相似文献