کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7607690 | 1493363 | 2018 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Application of Subwindow Factor Analysis and Mass Spectral information for accurate alignment of non-targeted metabolic profiling
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The peak shifts may lead to an incorrect statistical result for nontargeted metabolomics profiling, such as classification and discrimination in pattern recognition. In the paper, a more accurate alignment algorithm is developed based on Subwindow Factor Analysis and Mass Spectral information (SFA-MS). Compared with other methods, this new algorithm aligns the peaks more accurately without changing their shapes, especially for the overlapping peak clusters. To begin, the Continuous Wavelet Transform with Haar wavelet as the mother wavelet (Haar CWT) is used to determine the position and width of peaks. On this basis, the candidate drift points are confirmed by Fast Fourier Transform (FFT) cross correlation. Furthermore, the MS fitting degree of the common components between the reference chromatogram and the raw chromatogram is determined by the Subwindow Factor Analysis (SFA). When the MS information between reference and raw peaks is identical, the corresponding moving points are the optimum shifts. It is remarkable that all the peaks are moved through linear interpolation in the non-peak parts, so that the aligned chromatograms remain unchanged. The SFA-MS algorithm was implemented in the Matlab language and is available as an open source package.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Chromatography A - Volume 1563, 17 August 2018, Pages 162-170
Journal: Journal of Chromatography A - Volume 1563, 17 August 2018, Pages 162-170
نویسندگان
Tian-Biao Yang, Pan Yan, Min He, Liang Hong, Rui Pei, Zhi-Min Zhang, Lun-Zhao Yi, Xin-Ya Yuan,