饲料中粗脂肪和粗纤维含量的近红外光谱快速分析

采用近红外光谱(NIRS)结合偏最小二乘(PLS)方法,实现对饲料中粗脂肪和粗纤维的快速定量分析。采用Norris-Williams平滑求导(NW)和多元散射校正(MSC)方法对光谱进行预处理;蒙特卡罗无信息变量消除法(MCUVE)、变量组合集群分析法(VCPA)和区间变量迭代空间收缩法(iVISSA)用于光谱变量选择和优化; PLS用于光谱校正模型的建立,采用校正集相关系数(R_c)、交互验证均方根误差(RMSECV)、预测集相关系数(R_p)和预测集均方根误差(RMSEP)评价模型。光谱预处理中经MSC处理后的光谱模型优于其他预处理方法,其RMSECV和RMSEP值都减小,R_c和R_p值都增大。脂肪定量分析中,原始光谱模型的RMSECV和R_c为0.21和0.87, RMSEP和R_p为0.20和0.88,变量数(V_n)为1 501;经MCUVE方法选择变量后建立的定量模型,其RMSECV和R_c为0.17和0.92, RMSEP和R_p为0.19和0.89,V_n为400个;经VCPA选择变量建立PLS定量模型,其RMSECV和R_c为0.21和0.87, RMSEP和R_p为0.25和0.81,V_n为12;经iVISSA选择变量后的模型,其RMSECV和R_c为0.21和0.86, RMSEP和R_p为0.20和0.87,V_n为20。粗纤维定量分析中,原始模型的RMSECV和R_c为0.28和0.91, RMSEP和R_p为0.25和0.95,V_n为1 501;经MCUVE选择后的模型,其RMSECV和R_c为0.23和0.95, RMSEP和R_p为0.23和0.94,V_n为740;经VCPA选择变量后的模型,其RMSECV和R_c为0.27和0.91, RMSEP和R_p为0.30和0.91,V_n为11;经iVISSA选择后变量的模型,其RMSECV和R_c为0.29和0.90, RMSEP和R_p为0.27和0.93,V_n为20。结果表明, MSC方法可以有效提高光谱质量,消除光谱平移误差; MCUVE变量选择方法可以简化模型提高模型精度和稳定性,建立最优模型。在粗脂肪的定量分析模型中, MSC处理后的光谱经过MCUVE选择后剩余400个变量,R_c和R_p相较于全谱模型提高了0.05和0.01, RMSECV和RMSEP分别降低到了0.17和0.19;经VCPA和iVISSA选择变量的模型其结果与全谱模型相似,但其变量分别只有12和20个。在粗纤维模型中,经MCUVE选择后740个变量用于建立PLS模型,其R_c和R_p为0.95和0.94, RMSECV和RMSEP分别为0.23和0.23; VCPA和iVISSA分别运用11和12个变量建立回归模型,但结果都比MCUVE模型差。利用饲料近红外光谱建立MSC-MCUVE-PLS模型可以有效对饲料粗脂肪和粗纤维进行定量分析。     

杉木综纤维素和木质素的近红外光谱法测定

用近红外光谱法对杉木中综纤维素和木质素含量进行了快速测定。用常规湿化学方法测定了48个杉木木材样品的综纤维素和木质素,用近红外光谱仪采集相应的光谱,进行二阶微分处理和平滑预处理后,用偏最小二乘法和完全交互验证方式建立相应预测模型。综纤维素校正模型和预测模型的相关系数分别为0.96和0.93;预测标准误差分别为0.39和0.50;木质素校正模型和预测模型的相关系数分别为0.99和0.90;预测标准误差分别为0.10和0.28。结果表明,近红外光谱法可以快速分析木材中综纤维素和木质素含量。     

光磁共振实验中扫场的作用和影响

讨论了方波和三角波扫场对光抽运信号和磁共振信号的作用和影响,阐明了应如何选择方波和三角波扫场信号的大小和方向,才能得到理想的光抽运信号和磁共振信号的方法．     

电子间的吸引与排斥

 吸引和排斥作为特定的哲学范畴,专指无机界事物相互作用中两种相反因素的对立统一关系,是对接近和分离、收缩和膨胀、化合和化分、吸收和发射、引力和斥力、聚合和裂变等特殊矛盾运动所作的科学概括。显然吸引和排斥不是单一的、不变的;它是作为无机界的基本矛盾来把握的。     

电场对非对称量子点中强耦合极化子基态和第一激发态的影响

采用Pekar类型变分方法研究非对称量子点中强耦合极化子基态和激发态,得出极化子的基态和激发态能量随电场和横向和纵向有效受限长度的变化关系.结果发现基态和激发态能量是电场的减函数,基态和激发态能量随横向和纵向有效受限长度的增加而减少     

微光夜视技术的进展与展望

微光夜视技术作为主要为夜战服务的军用光电子高新技术，其在现代高新技术局部战争和夜战中的作用和地位变得更加突出和重要。随着微光夜视技术的快速发展和器件、系统性能水平的不断提高，微光夜视技术在未来高新技术战争和信息化战争中将具有巨大的发展潜力和广阔的应用前景。在对国外超二代、三代和四代微光像增强器技术发展思路、管型特点和关键技术进行深入分析的基础上，介绍了国内外微光夜视技术的发展现状和最新进展。结合我国目前的设备条件、元器件性能和技术水平的现状，对我国微光夜视技术的发展方向和重要的关键技术进行了阐述，提出了自己的一些建议和展望。     

ESR和NMR在茂金属催化剂和聚烯烃研究中的应用

随着高分子科学和催化技术的发展，了解聚合物和催化剂的微结构信息尤为重要. 主要介绍了ESR和NMR在茂金属催化剂和聚烯烃领域中的最新应用，研究成果表明ESR和NMR是研究聚合物和催化剂微观信息的有效工具.     

光泵磁共振实验探究

本文分析了光磁共振实验中,观察到光抽运信号和磁共振信号的条件,并重点对方波和三角波扫场对光抽运信号和磁共振信号的作用和影响进行了讨论,阐明了应如何选择方波和三角波扫场信号的大小和方向,才能得到理想的光抽运信号和磁共振信号。     

平面波与线性粘弹海底的反射和折射

采用基于广义标准线性体Boltzmann叠加原理的固体流变模型来描述粘弹性海底底质结构,分析了沉积层和基岩的纵、横波速度频散和衰减的特点,计算了海水沉积层界面和沉积层基岩界面位移势反射和折射系数和能量反射和折射系数。结果表明,采取本模型的粘弹性海底的速度频散、衰减和已有文献的实验数据符合较好,能准确的描述海底底质的主要性质,反射和折射系数和声波的频率有关。     

GaN基半导体新热点:从半导体照明到功率电子器件

Ⅲ族氮化物(又称GaN基)宽禁带半导体属于新兴的第三代半导体体系,在短波长光电子器件和功率电子器件领域具有重大应用价值。过去10多年,以蓝光和白光LED为核心的半导体照明技术和产业飞速发展,形成了对国家经济和人民生活产生显著影响的高技术产业。近年来GaN基功率电子器件受到了学术界和产业界的高度重视,形成了新的研发和产业化热点。首先介绍了半导体照明技术和产业的发展历程和现状,分析了当前GaN基LED芯片技术面临的关键科学和技术问题;然后重点介绍了GaN基微波功率器件和电力电子器件的发展历程和动态,包括微波功率器件已经取得的突破性进展和产业化现状,电力电子器件相对Si和SiC同类器件的优势和劣势,并对GaN基功率电子器件当前面临的关键科学和技术挑战进行了较详细的分析。     

Ab-initio Hartree-Fock self-consistent-field calculations—An indigenous development of computer programs

A set of indigenously developed computer programs for ab-initio Hartree-Fock calculations on both closed- and open-shell molecules have been described. These programs have been written for calculations using GTO basis sets. Integral formulae have been taken from Taketaet al [8]. Structures and functions of the programs have been discussed. These programs have been extensively tested. Molecular integrals over GTO basis sets have been chosen for tests and as numerical examples in this paper. Results of calculations using very accurate minimal bases have been given for methane. Time taken for these computations in a CDC Cyber 180/840 machine has been indicated. Trends in the calculations have also been illustrated by employing 4-gaussian expansions for the STO’s and by varying the basis size for LiH and BH⁺. An erratum to this article is available at .     

实验室黑白肖像艺术照的拍摄及制作方法的改进

本文对实验室条件下拍摄黑白艺术肖像的方法作了探讨,对放大相片的方法作了改进,给出了实验数据,并对拍摄结果作了分析和讨论。实验获得了放大尺寸的人物肖像艺术照片。     

Modifying a graphene layer by a thymine or a uracil nucleobase: DFT studies

The hybridizations of a graphene layer by a thymine and a uracil nucleobase have been investigated by performing density functional theory (DFT) calculations. The isolated and hybrid structures have been firstly stabilized to reach the minimum energy and the electronic properties have been subsequently evaluated for the optimized structures. The structural and atomic scale parameters indicated that the tip of graphene is important in determining the properties of new hybrids. Moreover, different effects of thymine and uracil nucleobases have been identified in the hybrid structures. Quadrupole coupling constants have been evaluated to characterize the atomic scale properties, in which the most notable effects of hybridizations have been observed for the atoms close to the linking regions whereas negligible effects have been seen for other atoms.     

Optical methods for the generation of terahertz radiation and subterahertz acoustics of solids

Various methods to increase the efficiency of the generation of broadband terahertz radiation based on optical rectification have been analyzed. The solutions of self-consistent optical terahertz equations have been studied using the inclined front technique. The effect of symmetric and asymmetric resonant impurity centers incorporated into a crystal has been examined. Transient and asymptotic stages of generation have been considered. Attention has been focused on the evolution of the spectra of both generated terahertz and input optic signals. One- and two-frequency generation modes have been discussed. Acoustic analogs that would provide the possibility of the generation of the gigahertz acoustic supercontinuum using subterahertz elastic signals in a solid have been analyzed. The main similarities and differences between terahertz optics and subterahertz acoustics have been revealed.     

Raman Scattering by Crystals of Rare-Earth Hexaborides with Different Isotopes of Boron

Monocrystals of lanthanum hexaboride LaB₆ containing both natural boron and its isotopes ¹⁰B and ¹¹B have been produced using the solution-melt method. Polyelement hexaboride rare-earths have been grown and the corresponding ceramics have been synthesized for the first time. All these crystals have been studied by means of various techniques, generally using Raman scattering. The Raman spectra attributed to various spectral lines corresponding to nonanalyzable representations have been obtained and interpreted. Frequencies and half-widths of spectral lines have been obtained, the removal of degeneracy and the development of respective splitting of degenerate oscillations induced by defects, mainly by boron isotope inclusions, have been identified. The influence of defects on the Raman spectra has been determined.     

Cinchona alkaloid-based polymer-bound phase-transfer catalysts: Efficient enantioselective alkylation of benzophenone imine of glycine esters

Summary Cross-linked polystyrene-bound and poly(ethylene glycol)-bound phase-transfer catalysts as well as homopolymers of cinchona alkaloid derivatives have been synthesised. Both soluble and insoluble polymers have been investigated. The enantioselective alkylation of N-diphenyl methylene glycine t-butyl ester has been successfully carried out in heterogeneous and homogeneous systems. High enantioselectivities (up to 96%) have been obtained. The polymer-bound catalysts have been easily recovered and conditions for efficient recycling have been studied.     

Identification des propriétés thermiques de composites fibres de verre/résines thermodurcissables: Application à l'optimisation des procédés de moulage

Identification of glass fiber/thermosetting resins composites thermal properties. Application to the optimization of molding processes. A procedure has been developed to optimize molding processes of thermosetting composite materials. Three stages have been distinguished. In the first one, some thermal and kinetic properties have been measured by differential scanning calorimetry. Thermal conductivities have been identified afterwards in thick instrumented pieces, placed in a thermally regulated press. High dependences of thermal conductivities on temperature and transformation degree have been shown. Secondly, coupled heat transfers have been numerically simulated and results have been satisfactorily compared with experimental thermograms. Finally, optimization technics based on effective inverse methods have been used.These points have been illustrated with two examples : glass fiber/epoxy resin and glass fiber/polyester. Sufficient mechanical characteristics of the first one, which is cured in oven, and good surface aspect of the second, that is made by injection in heated and closed molds, had to be obtained. The results let foresee real improvement of the corresponding molding processes.     

Synthesis,experimental and theoretical analysis,and antiproliferative activity of 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate

In this study 2-(4-methoxyphenylamino)-2-oxoethyl methacrylate (MPAEMA) has been synthesized and characterized experimentally (FTIR, NMR). Theoretically, physical, electronic and vibrational properties of MPAEMA molecule have been investigated using density functional theory (DFT) calculations at B3LYP/6-311++G(d,p) basis set. Bond distance, FTIR spectrum, NMR spectra and vibrational frequencies have been carried out. The calculated FTIR and NMR spectra of the headline molecule from the DFT have been compared with the measured ones, and good results have been obtained. UV spectrum characteristics and the electronic properties, like frontier orbitals, and band gap energy of MPAEMA have also been recorded by time-dependent (TD-DFT) method based on optimized structure with different solvent. The experimental results have been compared with theoretical values. Both experimental and theoretical methods have shown that the compound has successfully been synthesized. Cytotoxicity of MPAEMA has been investigated by XTT cell proliferation assay. IC50 values of MPAEMA have been identified as 1.8 mM on HeLa cell line.     

Calculation of the intensity of Touschek electrons in the VEPP-4M storage ring

Formulas for calculating the intensity of intrabeam scattering of electrons in the Born approximation for the one- and two-dimensional collision models have been obtained for the nonrelativistic and relativistic cases. The Baier-Katkov-Strakhovenko two-dimensional relativistic model with Coulomb corrections has been analyzed. Formulas in the ultrarelativistic limit have been obtained using this model. Different models have been compared. The intensities of Touschek electrons and the polarization contribution have been calculated under the conditions of the detection of scattered particles at the VEPP-4M storage ring. The calculations have been compared to experimental data.     

Dispersion properties of surface polaritons at the high-temperature superconductor-insulator interface in the presence of dissipation

The dispersion and energy characteristics of surface polaritons at a high-temperature supercon-ductor-insulator interface have been studied taking into account the dissipation in both media. The dispersions have been found and the criteria for the existence of surface waves have been formulated for temperatures below the phase transition point. The frequency dependences of the depth of penetration of surface polaritons into each medium and their mean free paths have been determined. The characteristic frequencies near which the wave parameters of surface polaritons undergo substantial changes have been revealed.