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71.
Continuous wavelet transform applied to removing the fluctuating background in near-infrared spectra 总被引:4,自引:0,他引:4
A novel method based on continuous wavelet transform (CWT) was proposed as a preprocessing tool for the near-infrared (NIR) spectra. Due to the property of the vanishing moments of the wavelet, the fluctuating background of the NIR spectra can be successfully removed through convolution of the spectra with an appropriate wavelet function. The vanishing moments of a wavelet and the scale parameter are two key factors that govern the result of the background elimination. The result of its application to both the simulated spectra and the NIR spectra of tobacco samples demonstrates that CWT is a competitive tool for removing fluctuating background in spectra. 相似文献
72.
[reaction: see text] A 30-member library of small molecules based on the vinyl sulfone scaffold was prepared on rink amide resin, using solid phase-based reactions such as oxidation and Horner-Wadsworth-Emmons reaction. The library was designed such that three points of diversity were readily introduced in the library to accommodate the S(1)', S(1), and S(2) binding pockets of different cysteine proteases, making the strategy suitable for high-throughput generation of potential cysteine protease inhibitors. 相似文献
73.
离散小波变换-遗传算法-交互检验法用于近红外光谱数据的高倍压缩与变量筛选 总被引:11,自引:0,他引:11
用遗传算法(GA)与交互检验(CV)相结合建立了一种用于对近红外光谱(NIR)数据及其离散小波变换(DWT)系数进行变量筛选的方法,并应用于烟草样品中总挥发碱和总氮的同时测定。结果表明:NIR数据经DWT压缩为原始大小的3.3%时基本没有光谱信息的丢失;有效的变量筛选可以极大地减少模型中的变量个数,降低模型的复杂程度,改善预测的准确度。 相似文献
74.
The successful separation of 2- and 3-methyl-substituted positional isomers of butanol, butyl acetate, and butanoic acid and its ethyl ester, is reported. These compounds are of interest in the study of wine flavour, however the separation of the 2- and 3-methyl isomers may present problems, and more so in the presence of the wine matrix components, when single capillary column gas chromatography (GC) is used. The strategy to achieve separation was based on the use of shape-selective cyclodextrin derivative (CDD) capillary columns (commonly referred to as chiral columns). These columns provide simultaneous resolution of the enantiomeric pairs of the 2-methyl isomers, and at the same time the ability to separate the 3-methyl isomer from the 2-methyl is achieved in all but the case of the ( S)-2- and 3-methylbutanol. The advantages of using shape-selective columns to perform this study is demonstrated, with coupling of two CDD columns giving improved separations of these compounds. Although these compounds are relatively volatile, cryogenic modulated comprehensive two-dimensional GC was shown to provide good pulsed peak profiles with chiral separation in the first dimension when a thicker film trapping column segment was employed. The components of interest were well separated from other wine matrix components. 相似文献
75.
Functionalized pyridylboronic acids and their Suzuki cross-coupling reactions to yield novel heteroarylpyridines 总被引:1,自引:0,他引:1
Parry PR Wang C Batsanov AS Bryce MR Tarbit B 《The Journal of organic chemistry》2002,67(21):7541-7543
2-Bromo-5-pyridylboronic acid 2a, 2-chloro-5-pyridylboronic acid 2b, 2-methoxy-5-pyridylboronic acid 2c, and 5-chloro-2-methoxy-4-pyridylboronic acid 4 have been synthesized and shown to undergo palladium-catalyzed cross-coupling reactions with heteroaryl bromides to yield novel heteroarylpyridine derivatives. The X-ray crystal structures of 2a and 2b have been obtained. 相似文献
76.
ZheMingNI WeiHuaYU ShaoFenZHAO ZhongHuaGE 《中国化学快报》2004,15(8):989-992
Magnesium aluminium hydrotalcite (Mg-Al-HT) with molar ratio of Mg-to-Al of 3 to 1 was prepared and characterized by X-ray diffraction (XRD) and infrared spectra (IR). The performances of Mg-Al-HT for the adsorption and desorption of NOx were studied. The results indicated that the adsorption capacity of the hydrotalcite for NOx was 1398.2mg/g, and it was higher than the acticarbon‘s. The adsorption capacities depended on adsorption time and temperature.Mg-Al-HT could be regenerated by thermal decomposition, and the adsorption efficiency had not changed markedly after three cycles. 相似文献
77.
The anodic reaction of Ni in an alkaline solution was studied by the tip–substrate voltammetry mode of scanning electrochemical microscopy (SECM) and cyclic voltammetry (CV). A platinum microdisc electrode was selected as the tip electrode, which functioned as a pH sensor with transient response capability. The pH value of the solution near the Ni electrode surface varied while the Ni substrate oxidation reaction occurred, and the pH variation could be detected by the tip faradic current. The cyclic voltammogram results showed that two types of hydroxides: i.e. α‐Ni(OH)2 and β‐Ni(OH)2 were formed during Ni oxidation in the lower potential region. In the proceedings of α‐Ni(OH)2 → γ‐NiOOH and β‐Ni(OH)2 → β‐NiOOH, the process of OH? concentration decrease in the solution was ahead and behind of electron transfer in the solid phase, respectively. These results indicate that the OH? adsorption process occurs as an elementary step in the former reaction and the H+ diffusion process from the inner to the outer layer of the solid phase occurs as a subsequent step in the latter reaction. The results also revealed that the oxide film on the Ni surface has a two‐layer structure. The real potential of the oxygen evolution reaction (OER) on the Ni surface with different cycles is also analyzed in the paper. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
78.
本文用P204-兰113A-煤油组成的滤膜体系处理钒(Ⅳ)的溶液,并考察了表面活性剂、载体、外相pH值、内相酸度、起始钒(Ⅳ)浓度以及乳水比等因素对分离的影响。 相似文献
79.
80.
某些分子光谱分析法测定核酸的进展 总被引:36,自引:3,他引:36
对近年来利用分光光度法、荧光法和共振光散射法定量测定核酸的现状进行了评述,表中列出了重要的反应体系及分析特征,引用文献77篇。 相似文献