Accurate estimation of diffusion coefficient for molecular identification in a complex background
Accurate estimation of diffusion coefficient for molecular identification in a complex background
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复杂背景下分子识别扩散系数的准确估计
DOI：
10.1007/s00216-020-02693-7
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发表时间：
2020-05
影响因子：
4.3
通讯作者：
Liu M. L.
中科院分区：
文献类型：
--
作者：
Yuan B;Zhang X;Kamal Hlmtf Jiang B;Liu M. L.
为了消除复杂背景信号的影响，提高扩散系数测量的准确性，在定制化Savitzky-Golay方法的基础上，引入了光谱质量损失可忽略的导数核磁共振波谱，并将其用于构建扩散有序核磁共振波谱（DOSY）。通过仿真建立了该方法的判据。该方法在小鼠尿液和血清中的应用表明，在复杂背景下扩散系数测量的准确性和精密度得到了提高，增强了分子的识别能力。扩散有序核磁共振波谱是分析复杂混合物的有力工具。为了提高扩散系数测量的精度，引入复导数谱的幅度作为后处理方法，消除背景信号、宽信号或失真基线的影响。从而保证了扩散系数的准确估计，提高了分子的识别能力。
To eliminate the effects of complex background signals and to enhance the accuracy of the diffusion coefficient measurement, derivative NMR spectroscopy with negligible loss of the spectral quality is introduced based on the customized Savitzky-Golay method and used to construct diffusion-ordered NMR spectroscopy (DOSY). The criterion of the method was established by simulations. The application of this method on mouse urine and serum showed that the accuracy and precision of diffusion coefficient measurements in a complex background were improved to enhance the identification of molecules.Graphical abstractDiffusion-ordered NMR spectroscopy is a powerful tool for analyzing complex mixtures. To improve the accuracy of diffusion coefficient measurement, the magnitude of complex derivative spectra is introduced as a post-processing method to eliminate the effects of background signals, broad signals, or distorted baseline. And thus, accurate estimate of the diffusion coefficient is ensured to enhance the molecule identification.
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影响因子：
7.4
作者：
Nilsson, M;Gil, AM;Morris, GA
通讯作者：
Morris, GA
影响因子：
--
作者：
Shivanand Pudakalakatti;Kousik Chandra;Ravula Thirupathi;H. Atreya
通讯作者：
Shivanand Pudakalakatti;Kousik Chandra;Ravula Thirupathi;H. Atreya
影响因子：
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作者：
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通讯作者：
Hwang, Geum-Sook
DOI：
10.1016/j.chemolab.2016.06.007
发表时间：
2016-08-15
影响因子：
3.9
作者：
Li, Yuanlu;Ding, Yaqing;Li, Tiao
通讯作者：
Li, Tiao
影响因子：
7.4
作者：
B. Vitorge;D. Jeannerat
通讯作者：
B. Vitorge;D. Jeannerat