کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1198833 1493474 2016 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A simple multi-scale Gaussian smoothing-based strategy for automatic chromatographic peak extraction
ترجمه فارسی عنوان
استراتژی مبتنی بر صاف کردن گوسی ساده در مقیاس ساده برای استخراج پیک کروماتوگرافی اتوماتیک
کلمات کلیدی
تشخیص پیک کروماتوگرافی، صاف گاوسی چند ضلعی، تجزیه و تحلیل نمونه جامع، کنترل کیفیت، پروفیل متابولیک
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
چکیده انگلیسی


• A multi-scale Gaussian smoothing strategy was proposed for peak detection.
• This strategy can be automatically performed in routine data analysis.
• The performance of this strategy was demonstrated by GC and GC–MS datasets.
• This methodology is comparable with those based on wavelet and model peak methods.

Peak detection is a critical step in chromatographic data analysis. In the present work, we developed a multi-scale Gaussian smoothing-based strategy for accurate peak extraction. The strategy consisted of three stages: background drift correction, peak detection, and peak filtration. Background drift correction was implemented using a moving window strategy. The new peak detection method is a variant of the system used by the well-known MassSpecWavelet, i.e., chromatographic peaks are found at local maximum values under various smoothing window scales. Therefore, peaks can be detected through the ridge lines of maximum values under these window scales, and signals that are monotonously increased/decreased around the peak position could be treated as part of the peak. Instrumental noise was estimated after peak elimination, and a peak filtration strategy was performed to remove peaks with signal-to-noise ratios smaller than 3. The performance of our method was evaluated using two complex datasets. These datasets include essential oil samples for quality control obtained from gas chromatography and tobacco plant samples for metabolic profiling analysis obtained from gas chromatography coupled with mass spectrometry. Results confirmed the reasonability of the developed method.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Chromatography A - Volume 1452, 24 June 2016, Pages 1–9
نویسندگان
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