核酸碱基的付立叶变换红外拉曼光谱特征

本文给出了核酸碱基付立叶变换红外（ＦＴ—ＩＲ）激光拉曼光谱特征，并与可见光激光拉曼光谱进行了比较。结果表明，付立叶变换红外激光拉曼获得较可见光激光拉曼光谱波数范围更宽（低波数）的谱带范围，所获谱图荧光干扰小，谱图质量明显高于普通激光拉曼光谱谱图。     

基于PowderX软件的拉曼光谱数据处理

将处理 X射线衍射谱的 Powder X软件用于处理拉曼光谱数据 ,可方便地获得谱线中各个拉曼峰的位置、强度和半高宽等信息。经过平滑、去背景后 ,拉曼谱图的变化趋势与原始谱图吻合 ,谱线的信噪比及分辨率也有所提高 ,表明 Powder X软件完全可用于拉曼光谱的数据处理     

纤维上染料的FT-Raman光谱法研究

本文采用近红外傅立叶变换拉曼光谱技术（NIR FT－Raman)对27种染色纤维样品进行了检验，同时得到了它们的本底纤维和染料的拉曼谱图，然后利用计算机谱图处理程序进行拉曼差谱处理，获得了染色纤维上染料的拉曼谱图，由此能够实现对纤维上染料的鉴定，根据染料分子的拉曼光谱的特征将24种染色纤维按局部结构特征分为7类，有助于同色纤维上染料的鉴别，该方法快速、简便，灵敏度高，不需从纤维上提取染料。     

基于极值统计的拉曼光谱信噪比评估方法与应用

随着近年来便携式光谱仪技术的迅速发展,CCD光谱仪相对于传统光谱仪在光谱收集方式上发生了很多变化：（1）采集到的光谱对信号进行叠加积分,传统信噪比评估方法无法通过单次检测获得探测器波动;（2）对于谱图噪声（谱线随机波动）,由探测器响应随机波动和扫描重复误差转变为CCD探测器像素响应差异、探测器随机噪声和与光学系统分辨力有关的模式噪声。噪声类型发生改变,导致原有的光谱质量评价方法适用性变差,基于实测光谱提出更具适应性的光谱质量评价方法具有很强的现实意义。根据拉曼光谱仪检测器的变化,对采集光谱信号的成分进行分析,在该分析的基础上提出了CCD光谱仪的噪声模型假设,根据该假设使用不同的信号极值点频率对不同的噪声进行像素分离,并对噪声频率模式进行了数值模拟,模拟结果与假设相符;在此基础上提出并实验验证了通过谱线极值间距评估谱线噪声的拉曼光谱信噪比评估方法,该方法包括以下两个步骤：（1）通过采集多次实测光谱进行叠加,叠加过程中对对应不同频次的光谱极值点数量进行统计,得到统计结果后基于文中规律分离光谱仪中的环境噪声和暗噪声;（2）应用上述分离结果,对实测光谱中对应暗噪声的谱线极值点作统计平均,再将该值应用于文中公式,计算得到信噪比。该方法在进行了步骤（1）的前期准备后,可以通过单张谱图评估CCD拉曼光谱仪的随机噪声,并用于评估光谱的信噪比。基于光学构架相同、CCD探测器不同的三个拉曼光谱系统进行实验,采用该方法通过设定信噪比阈值对谱图质量进行控制,获得了一致的光谱曲线;基于该方法对同步叠加平均法进行信噪比拟合,拟合优度达到98%。该方法可用于拉曼光谱仪的性能评估和获取拉曼光谱谱图的质量实时控制。理论和实验表明：对于基于CCD探测器的拉曼光谱仪器,当确定样品和特征峰时,可以基于此方法获得信噪比。该方法还可用于比对不同配置的拉曼光谱设备,以及作为控制谱图质量一致性的标准,并对基于拉曼光谱技术的智能鉴别系统的开发具有指导意义。     

人工神经网络在拉曼光谱数据处理中的应用

人工神经网络在拉曼光谱数据处理中的应用刘海林，胡继明，徐知三，盛蓉生，王小华（武汉大学分析测试中心武汉４３００７２）ＡｐｐｌｉｃａｔｉｏｎｏｆＡｒｔｉｆｉｃｉａｌＮｅｕｒａｌＮｅｔｗｏｒｋｓｉｎＲａｍａｎＳｐｅｃｔｒｕｍＤａｔａＰｒｏｃｅｓｓｉｎｇ￥...     

基于一维卷积神经网络的雌激素粉末拉曼光谱定性分类

拉曼光谱物质定性鉴别已被广泛应用于诸多行业和研究领域,但传统拉曼光谱分析过程中的预处理主要依赖人为经验,光谱特征提取虽然能够降低信号维度,同时也会造成部分光谱信息损失。特性相近物质本身光谱相似度较高,受到测量过程中环境干扰和分析过程中多种误差影响,导致最终分类效果并不理想。针对此问题,提出基于一维卷积神经网络（one-dimensional convolution neural network,1D-CNN）的拉曼光谱定性分类方法。实验采集雌酮（Estrone）、雌二醇（Estradiol）,雌三醇（Estriol）三种不同雌性激素粉末的拉曼光谱,设计随机平移、添加噪声和随机加权三种光谱数据增强方法,构建数量充足的拉曼光谱数据库用于神经网络模型训练与测试;基于拉曼光谱数据特点提出一维卷积神经网络分类模型,将光谱预处理、特征提取和定性分类的全过程融为一体。通过大量仿真实验,优化所提出的神经网络模型超参数和训练过程并测试分类效果,从预处理对光谱分类结果的影响和模型抗干扰性能两个方面与多种传统拉曼光谱分类算法对比,评价模型性能。实验结果表明,本文提出的一维卷积神经网络模型可实现三类雌性激素粉末拉曼光谱快速准确分类,分类正确率最高可达98.26%,分析过程中无需光谱预处理和特征提取步骤,简化了光谱分析流程,并能保留更多有效信息。同时,当模拟测量噪声强度达到60 dBW时,传统方法分类正确率均明显出现不同程度明显降低,卷积神经网络模型依然能够取得96.81%的分类正确率,说明相比对传统拉曼光谱分类方法,所提出方法受光谱测量噪声影响更小,鲁棒性更强,适用于分析更复杂现场测量的强噪声拉曼光谱信号。该研究结果表明深度学习方法在拉曼光谱的分析与处理领域具有很大的应用潜力和研究价值。     

表面增强拉曼光谱技术检测新型冠状病毒刺突蛋白

开发具有高灵敏度、高准确性的新型冠状病毒（SARS-CoV-2）快速检测技术对疫情防控具有重要作用。本文利用表面增强拉曼光谱（SERS）技术对人体唾液中的痕量SARS-CoV-2病毒刺突蛋白（S蛋白）进行了检测。结果表明,含S蛋白的唾液样本与原始唾液样本的拉曼光谱具有显著区别,含S蛋白的唾液样本谱图中可清晰观察到属于S蛋白的拉曼谱线。该结果为后续SERS技术在SARS-CoV-2病毒快速检测方面的应用奠定了坚实基础。

     

爆炸物、毒品的标准拉曼谱图库的建立及自动检索系统

采集31种爆炸物和73种毒品的标准拉曼谱图,分析其谱图,选出适合作为搜索条件的光谱范围。通过编程,建立标准拉曼谱图库和自动检索系统。在选定光谱范围内,拉曼谱图库选择信号较强的特征峰,进行曲线拟合,将获得的峰位置、相对峰强等数据作为参数写入标准拉曼谱图库。通过自动检索系统将未知拉曼光谱与数据库中的标准谱图进行分析比对,搜索软件自动给出正确结论。数据库具有添加、删除、备份、恢复等辅助功能,并具有自动扣除荧光背底,优化拉曼光谱图等功能。本文进一步分析了可能对分析比对结果造成影响的因素。     

拉曼光谱在医学上的应用（Ⅱ）

拉曼光谱在医学上的应用（Ⅱ）余国滔（北京大学生命科学学院北京１００８７１）ＢｉｏｍｅｄｉｃａｌＡｐｐｌｉｃａｔｉｏｎｓｏｆＲａｍａｎＳｐｅｃｔｒｏｓｃｏｐｙ（Ⅱ）ＹｕｅＫｗｏｋｔｏ（ＣｏｌｅｇｅｏｆＬｉｆｅＳｃｉｅｎｃｅｓ，ＰｅｋｉｎｇＵｎｉｖｅｒｓ...     

核糖核酸酶溶液的拉曼光谱研究

报道了用硝基苯萃取处理前后的核糖核酸酶溶液的拉曼光谱。对其主链构象和侧链构象进行了分析,指出酰胺Ⅰ和酰胺Ⅱ中β一折迭和无规卷曲的构象较为明显,二硫桥键的构象是扭式—扭式—扭式,酪氨酸残基有部分是“埋藏”的。同时指出用硝基苯萃取处理蛋白质溶液是获得高质量拉曼谱图的一个简明有效的方法。     

Guided-Wave Two-Dimensional Acousto-Optic Scanner Using Proton-Exchanged Lithium Niobate Waveguide

Two-dimensional scanning of a 0.6328 mum guided-light beam has been realized using noncolinear acousto-optic (AO) coplanar Bragg diffraction together with colinear AO guided-mode to substrate radiation-mode conversion in a Z-cut Xpropagation LiNbO3 proton-exchanged (PE) waveguide. The two surface acoustic (SAW) waves utilized are at the center frequencies of 500 and 200 MHz, propagating in the Y and X axes, respectively. Two-dimensional scanning of approximately 720 resolvable light beam spots, namely, 18 40 (horizontal vertical) scanning, has been demonstrated using a light beam of 1.0 mm aperture. The total number of resolvable beam spots can be greatly increased from 720 by simply utilizing SAW transducers of larger bandwidth and a light beam of greater aperture. It should also be possible to significantly increase the diffraction efficiency from 3 % by optimizing the parameters of the PE waveguide and the SAWs.     

Femtosecond Transform-Limited Pulse Generation by Compensating for the Linear Chirp of SPM Spectra in Dispersion Shifted Fibers

A simple technique of pulse compression, based on the linear chirp compensation of self-phase modulation (SPM) spectra in dispersion shifted fibers, is demonstrated. The optimization procedure is carried out, for a short span of a single-mode fiber, using a parabolic law, which describes the behavior of the squared output pulse width versus the pump peak power in the case of Gaussian pulses. The experimental results give a minimum pulse duration of 233 fs, which is in good agreement with the model. Shorter and coherent pulses, down to 90 fs, have been obtained by inserting an interference filter at the optical output.     

Effect ofγ-radiation on the spectral luminescence characteristics of impure cadmium tungstate crystals

Results of a study of the effect of γ-radiation on the spectral luminescence properties of cadmium tungstate crystals doped with silver, bismuth, and molybdenum cations are presented. Spectral characteristics of the nondnnnoped crystals are briefly described. Absorption and photo and X-ray luminescence spectra of the crystals taken before and after exposure to γ-radiation (5.5·10⁴ Gy) are compared. It is found that the spectral characteristics of the crystals doped with silver, bismuth, and molybdenum cations do not change markedly after the exposure. The relation between the type of impurity-induced defects, individual characteristics of the impurity cations, and the character of the effect of γ-radiation on the spectral luminescence properties of impure crystals is analyzed (preliminarily). Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 1, pp. 55–60, January–February, 1997.     

Sorting of bending magnets for the SSRF booster

The Shanghai Synchrotron Radiation Facility(SSRF)booster ring,a full energy injector for the storage ring,is deigned to accelerate the electron beam energy from 150MeV to 3.5GeV that demands high extraction efficiency at the extraction energy with low beam loss rate when electrons are ramping.Closed orbit distortion(COD)caused by bending magnet field uniformity errors which affects the machine performance harmfully could be effectively reduced by bending magnet location sorting.Considering the affections of random errors in measurement,both ideal sorting and realistic sorting are studied based on measured bending magnet field uniformity errors and one reasonable combination of bending magnets which can reduce the horizontal COD by a factor of 5is given as the final installation sequence of the booster bending magnets in this paper.     

Measurement of nonlinear coefficient of optical fiber based on small chirped soliton transmission

We measure the waveform and phase curves of short optical pulses before and after transmission over different lengths of fibers by use of the pulse analyzer with the frequency-resolved optical gating (FROG),and numerically simulate pulse evolution under the experimental conditions.The nonlinear coefficient of the fiber is given by comparing the experimental results with the numerical ones.Difference between the experiment and numerical simulation is analyzed.     

Resonance scattering of canonical elastic shells in absorbing fluid medium

Resonance scattering of elastic spherical shell and cylindrical shell while the surrounding fluid medium has absorption is studied. The normal mode solution derived using exact elastic theory and the separation of variables is still applicable. However, the scattering form function has to be modified for the absorbing medium, otherwise the unreasonable result would be obtained. The backscattering form function in the absorbing medium is redefined, and the form function of elastic spherical and cylindrical shell with vacuum or solid matter filled is calculated in various absorption conditions. The results show that the absorption of surrounding fluid leads to notable attenuation of the coincidence resonances in the mid-frequency, but it has a little influence on the low-frequency resonance scattering induced by the filler inside the shell.     

Single-beam self-referenced phase-sensitive surface plasmon resonance sensor with high detection resolution

A versatile and low-cost single-beam self-referenced phase-sensitive surface plasmon resonance(SPR)sensing system with ultra-high resolution performance is presented.The system exhibits a root-mean-square phase fluctuation of ±0.0028.over a period of 45 min.i.e.a resolution of±5.2×10-9 refractive index units.The enhanced performance has been achieved through the incorporation of three design elements:a true single-beam configuration enabling complete self-referencing so that only the phase change associated with SPR gets detected,a differential measurement scheme to eliminate spurious signals not related to the sensor response,and the elimination of retardation drifts by incorporating temperature stabilization in the liquid crystal phase modulato .Our design should bring the detection sensitivity of non-labeling SPR biosensing closer to that achievable by conventional fluorescence-based techniques.     

Influences of SiO2 protective layers and annealing on the laser-induced damage threshold of Ta2O5 films

Ta2O5 films are prepared on BK7 substrates with conventional electron beam evaporation deposition.The effects of SiO2 protective layers and annealing on the laser-induced damage threshold (LIDT) of the films are investigated.The results show that SiO2 protective layers exert little influence on the electric field intensity(EFI)distribution,microstructure and microdefect density but increase the absorption slightly.Annealing iS effective on decreasing the microdefect density and the absorption of the films.Both SiO2 protective layers and annealing are beneficial to the damage resistance of the films and the latter is more effective to improve the LIDT.Moreover,the maximal LIDT of Ta2O5 films is achieved by the combination of SiO2 protective layers and annealing.     

A stereo matching algorithm using multi-peak candidate matches and geometric constraints

Gray cross correlation matching technique is adopted to extract candidate matches with gray cross correla- tion coefficients less than some certain range of maximal correlation coefficient called multi-peak candidate matches. Multi-peak candidates are extracted corresponding to three closest feature points at first. The corresponding multi-peak candidate matches are used to construct the model polygon. Correspondence is determined based on the local geometric relations between the three feature points and the multi-peak candidates. The disparity test and the global consistency checkout are applied to eliminate the remaining ambiguous matches that are not removed by the local geometric relational test. Experimental results show that the proposed algorithm is feasible and accurate.