کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1206880 1493743 2007 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A new algorithm of piecewise automated beam search for peak alignment of chromatographic fingerprints
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
A new algorithm of piecewise automated beam search for peak alignment of chromatographic fingerprints
چکیده انگلیسی

The alignment of chromatographic signals is an important preprocessing step before further multivariate analysis. This paper presents a method, automated peak alignment by beam search (Auto-PABS), to solve the problem of peak shift in chemical chromatographic fingerprints by piecewise shifting and linearly interpolating. It is characterized by searching an adaptive range for the values of shifting and linearly interpolating of each segment. This search range is estimated by the calculation of fast Fourier transform cross correlation between the sample segment and its corresponding reference segment. Thus, arbitrary peak alignment is avoided when the real peak shifts are unknown in a large data set. Since the maximum of search range is close to the real shift, more accurate beam search is adopted to accomplish the optimization process. Simulated data and herbal medicine fingerprints of HPLC and GC are selected for evaluation. The output matrix of aligned chromatographic profiles is used directly for principal components analysis, yielding satisfactory results on real samples.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Chromatography A - Volume 1160, Issues 1–2, 10 August 2007, Pages 254–262
نویسندگان
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