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1.
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
5.
玻璃陶瓷材料中Tm3+离子红外到蓝色上转换发光 总被引:4,自引:0,他引:4
系统研究了PbF2+GeO2+WO3ⅩⅣTmF3玻璃陶瓷材料中,在近红外光(1.06μm)激发下,Tm3+离子的发光特性.实验中观测到Tm3+离子的两组峰值位置分别在20920cm-1和22173cm-1的蓝色上转换发光,并证实这两组上转换发光分别与吸收三个和四个光子有关,同时建立了上转换发光的模型.为了选择最佳掺杂浓度,详细地测量了Tm3+离子峰值为20920cm-1的蓝色上转换发光强度与TmF3浓度的关系. 相似文献
6.
We employ a first-principles plane wave method with the
relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter
(HGH) scheme in the frame of DFT to calculate
the equilibrium lattice parameters and the thermodynamic properties of
AlB2 compound with hcp structure. The obtained lattice parameters are in
good agreement with the available experimental data and those calculated by
others. Through the quasi-harmonic Debye model, obtained successfully are
the dependences of the
normalized lattice parameters a/a0 and c/c0 on pressure P, the normalized
primitive cell volume V/V0 on pressure P, the variation of the thermal
expansion α with pressure P and temperature T, as well as the Debye
temperature \ThetaD and the heat capacity CV on pressure P and
temperature T. 相似文献
7.
The acoustic and perceptive characteristics of discourse units, including clauses, simple sentences, compound sentences and paragraphs, were studied. The acoustic characteristics were based on the analysis of a speech corpus consisted of ten monologues. The Perceived Boundary Strength (PBS) of the monologues was labeled on a five-point scale by 25 participants. The main results are as follows: (1) There is a significant difference in the PBS of clauses (corresponding to intonational phrase), sentences (including simple sentences and compound sentences) and paragraphs. But the PBS of simple sentences and compound sentences is the same, and the pitch reset and pause are also not significantly different between these two kinds of boundaries. (2) The pitch-based cue used to distinguish clauses, sentences and paragraphs appears to be the difference between pre- and post-boundary syllables, but not simply the pitch value of either syllable alone. (3) Declination mainly occurs within intonational phrases, whereas there is no consistent global declination in sentences or in paragraphs. (4) Pauses are longer and more varied at the boundary of larger discourse units. Moreover, there is a significant positive correlation between pause duration and degree of pitch reset at clause boundaries, but not at sentence or paragraph boundaries. 相似文献
8.
A new type of THz waveguides, which employs a solid polyethylene rod as the core and polyethylene tubes in a periodic array of square lattice as the cladding, is proposed. Optical properties of this new THz waveguide, especially in dispersion, confinement loss and single mode property, are investigated in detail with the plane wave expansion method and the beam propagation method. Numerical results demonstrate that the new THz waveguide can reach not only low dispersion but also low confinement loss at single mode propagation. Therefore, the square lattice structure is a better candidate as THz waveguides than the triangular ones. 相似文献
9.
10.
本文报道了过渡金属Mn2+离子的含量对二维纳米发光材料[ZnxMg6-xAl2(OH)16]2+[S*2H2O]2-发光强度的影响,并研究了其他合成条件如Zn2+含量、硫化时间、灼烧温度等对发光材料、发光强度的影响. 相似文献