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二进小波变换极大模法用于分析化学信号的滤噪 总被引:2,自引:0,他引:2
实验数据的滤噪在分析化学领域中具有重要的意义。小波变换技术具有很强的信号分离能力,容易把随机噪声从信号中分离出来,从而提高信号的信噪比。本文使用滤噪方法不同于传统离散小波变换方法,而是通过引入二进小波变换和李氏指数的概念,根据噪声与有用信号的极大模截然不同的特征,实现信号滤噪。实验数据的仿真结果研究也证明该方法的可行性。 相似文献
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小波变换的概念是由法国从事石油信号处理的工程师J.Morlet在1974年首先提出的并建立了反演公式。它解决了Fourier变换不能解决的许多困难问题,所以被誉为“数学显微镜”,具有分析发展史上里程碑式的意义。本书是分析科学现代方法丛书中的一册,是国内第一本介绍小波分析在分析化学中应用的图书。作者卢小泉教授自1994年始从事小波分析在分析化学中的应用研究,他在自己科研的基础上参阅了国内外大量的有关小波分析的文献后编著此书,书中内容具有很强的针对性和实用性。该书的出版能给分析化学工作者,特别是化学计量学工作者提供一些有价值的参考。 相似文献
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小波变换的概念是由法国从事石油信号处理的工程师J.Morlet在1974年首先提出的并建立了反演公式。它解决了Fourier变换不能解决的许多困难问题,所以被誉为“数学显微镜”,具有分析发展史上里程碑式的意义。本书是分析科学现代方法丛书中的一册,是国内第一本介绍小波分析在分析化学中应用的图书。作者卢小泉教授自1994年始从事小波分析在分析化学中的应用研究,他在自己科研的基础上参阅了国内外大量的有关小波分析的文献后编著此书,书中内容具有很强的针对性和实用性。该书的出版能给分析化学工作者,特别是化学计量学工作者提供一些有价值的参考。 相似文献
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阻抗谱的应用范围越来越广,其传统测试方法耗时长的问题也日益突出. 提高阻抗谱测量速度的各种尝试中,合成宽带激励信号和设计高效率估计算法被认为是最具潜力的解决方案,由于伪随机二进制序列(pseudo-random binary sequence,PRBS)具有功率谱平坦和易生成等优点,它在阻抗谱快速测试中具有独特优势. 本文综述了快速阻抗谱测试中三个核心问题:PRBS信号类型、不同快速算法及其在电化学能源领域的典型应用. 对于PRBS信号类型,即最大长度序列信号、混合PRBS、离散区间二进制序列和正交PRBS,本文讨论了它们各自的特点和应用范围;对于不同的PRBS激励信号的快速算法,即离散傅里叶变换/快速傅里叶变换、小波变换、快速m序列变换、基于系统辨识的参数估计算法以及这些算法各自的特点和应用范围,本文进行了深入的分析;对于PRBS阻抗谱快速测量的应用,本文以铅酸电池、锂离子电池、质子交换膜燃料电池和超级电容器等电化学能源为例,验证了其应用的可行性. 为促进技术的进一步完善,本文总结和分析了PRBS阻抗谱快速测量存在的挑战,并提出了克服这些挑战所必需的未来研究方略. 相似文献
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将提升haar小波变换应用于对不同类型含高噪声化学信号的处理,提出1种用于高噪声化学信号中滤除噪声的快速新方法——提升小波滤噪法,并使之与重叠峰分辨技术联用;以优选的小波分解层数对低信噪比的分析化学信号进行基于提升格式的小波变换处理,取得满意的结果;方法简单、快捷、准确、易行.运算速度是传统小波变换的一半,对高噪声化学信号的处理结果信噪比提高几百倍,峰位置相对误差小于1.5%;应用于氨基酸体系毛细管电泳检测信号的处理,有效降低了实验噪声的影响,分辨提取了难以察觉的信号.结果峰形变窄,峰高增加.大大提高了峰的分辨率.验证和显示了方法的可行性和优越性。 相似文献
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《Analytical letters》2012,45(1):171-183
Based on wavelet transformation (WT) and mutual information (MI), a simple and effective procedure is proposed for multivariate calibration of near-infrared spectroscopy. In such a procedure, the original spectra of the training set are first transformed into a set of wavelet representations by wavelet prism transform. Then, the MI value between each wavelet coefficient variable and the dependent variable is calculated, resulting in a MI spectrum; by retaining a subset set of coefficients with higher MI, an update training set consisting of wavelet coefficients is obtained and reconstructed/converted back to the original domain. Based on this, a partial least square (PLS) model can be constructed and optimized. The optimal wavelet and decomposition level are determined by experiment. A NIR quantitative problem involving the determination of total sugar in tobacco is used to demonstrate the overall performance of the proposed procedure, named RPLS, meaning PLS in reconstructed original domain coupled with MI-induced variable selection in wavelet domain (RPLS). Three kinds of procedures, that is, conventional full-spectrum PLS in original domain (FPLS), PLS in original domain coupled with MI-induced variable selection (OPLS), and direct PLS in MI-based wavelet coefficients (WPLS), are used as reference. The result confirms that it can build more accurate and robust calibration models without increasing the complexity. 相似文献
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Daisuke Matsuoka Motoshi Kamiya Takeshi Sato Yuji Sugita 《Journal of computational chemistry》2020,41(6):561-572
Fibroblast growth factor receptor 3 (FGFR3) is a member of receptor tyrosine kinases, which is involved in skeletal cell growth, differentiation, and migration. FGFR3 transduces biochemical signals from the extracellular ligand-binding domain to the intracellular kinase domain through the conformational changes of the transmembrane (TM) helix dimer. Here, we apply generalized replica exchange with solute tempering method to wild type (WT) and G380R mutant (G380R) of FGFR3. The dimer interface in G380R is different from WT and the simulation results are in good agreement with the solid-state nuclear magnetic resonance (NMR) spectroscopy. TM helices in G380R are extended more than WT, and thereby, G375 in G380R contacts near the N-termini of the TM helix dimer. Considering that both G380R and G375C show the constitutive activation, the formation of the N-terminal contacts of the TM helices can be generally important for the activation mechanism. © 2019 Wiley Periodicals, Inc. 相似文献
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Junjun Mao Peiyan Sun Zhongxiao Pan Qingde Su Zhang Maosen 《Fresenius' Journal of Analytical Chemistry》1998,361(2):140-142
Wavelet transform (WT) is introduced successfully to filter simultaneously the noise and the base line in complicated photoacoustic
(PA) spectra. As the noise is often at very high frequency and the base line at very low frequency, WT can fully demonstrate
its capability of decomposing the signal according to the frequency. After wavelet transform, the relative strength of photoacoustic
bands can be easily determined. Thus, WT can be expected as a powerful method in PA spectroscopy for analyzing the formation
of polyenes with various conjugated numbers during degradation process.
Received: 13 May 1997 / Revised: 17 September 1997 / Accepted: 25 September 1997 相似文献
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Grinstead JS Avila-Perez M Hellingwerf KJ Boelens R Kaptein R 《Journal of the American Chemical Society》2006,128(47):15066-15067
The AppA BLUF domain is a blue light photoreceptor containing flavin. Conserved glutamine 63 is necessary for the photocycle of the protein, and its side chain has been proposed to flip in response to blue light illumination. Recently published crystal structures of AppA WT and the AppA mutant C20S describe contradictory conclusions regarding the orientation of the conserved glutamine 63 side chain in the dark. Here, we present evidence from NMR spectroscopy confirming light-induced flipping of the glutamine side chain to form a strong hydrogen bond between the glutamine 63 side chain carbonyl group and the tyrosine 21 side chain hydroxyl proton in the light-induced state. Our conclusions are consistent with published data from UV/vis absorbance and FTIR spectroscopy, as well as the crystal structure of AppA WT. 相似文献
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Weiwei Zou Jin-Long Zhang Feng Chen Masakazu Anpo Dan-Nong He 《Research on Chemical Intermediates》2009,35(6-7):717-726
The surface of titanium dioxide nanoparticles has been chemically modified with toluene 2,4-di-isocyanate (TDI). The modified titanium dioxide can efficiently absorb visible irradiation. The samples were characterized by means of wide-angle X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), diffuse reflectance UV–Vis spectroscopy (DRS), X-ray photoelectron spectroscopy (XPS), and thermogravimetric analysis (TGA). The as-prepared photocatalyst exhibited good photostability and photocatalytic performance in the degradation of organic compounds. For model organic pollutants, modified titanium dioxide had excellent visible-light photocatalytic performance and the surface chemistry linkage product had high photostability. 相似文献
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采用正交信号校正(OSC)结合小波变换(WT)对烟草光谱进行光谱预处理,将预处理后的烟草光谱结合偏最小二乘法(PLS)建立了烟草光谱对芸香苷的预测模型。利用OSC滤除光谱中与芸香苷含量无关的光谱信息,确定OSC提取的最佳主成分数为7,再选择WT中的最佳小波基函数bior1.1对OSC预处理后的光谱进行压缩及进一步滤噪,然后进行PLS建模,OSC–WT–PLS所建模型决定系数r~2=0.874,校正标准偏差RMSEC=0.85,预测均方根误差RMSEP=0.743,交互验证系数Q_(ext)~2=0.887。结果表明,用OSC–WT–PLS可滤除光谱信息中与待测样品含量无关的信息、减少光谱数据量,降低建立模型的复杂度、提高建模速度及模型的预测能力、准确度。 相似文献
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环境样品中硝基苯类化合物的分析方法研究进展 总被引:4,自引:0,他引:4
主要介绍了我国近年来在环境样品中硝基苯类化合物的分析研究进展,内容包括:光度法(还原-偶氮光度法、阻抑动力学光度法、化学计量学分光光度法、人工神经网络-分光光度法)、气相色谱法(固相微萃取-毛细管气相色谱法、树脂吸附-气相色谱法、液-液微萃取气相色谱法、超声萃取-气相色谱法)、高效液相色谱法(反相高效液相色谱法、固相萃取-高效液相色谱法)和极谱法等分析方法。 相似文献
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