作者
Kapil Nichani, Steffen Uhlig, Bertrand Colson, Karina Hettwer, Kirsten Simon, Josephine Bönick, Carsten Uhlig, Harshadrai M Rawel, Manfred Stoyke, Petra Gowik, Gerd Huschek
发表日期
2020/5/8
期刊
bioRxiv
页码范围
2020.05. 07.082065
出版商
Cold Spring Harbor Laboratory
简介
Detection of food fraud and geographical traceability of ingredients is a continually sought goal for government institutions, producers, and consumers. Herein we explore the use of non-target high-resolution mass spectrometry approaches and demonstrate its utility through a particularly challenging case study – to distinguish wheat and spelt cultivars. By employing a data-independent acquisition (DIA) approach for sample measurement, the spectra are of considerable size and complexity. We utilize artificial intelligence (AI) algorithms (artificial neural networks) to evaluate the extensive proteomic footprint of several wheat and spelt cultivars. The AI model thus obtained is used to classify newer varieties of spelt, processed flour, and bread samples. Additionally, we discuss the validation of such a method coupling DIA and AI approaches. The novel framework for method validation enables calculation of precision parameters for facile comparison of the discriminatory power of the method and in the development of a reliable decision rule.
引用总数
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