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Báo cáo y học: "A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language"

Tuyển tập các báo cáo nghiên cứu về y học được đăng trên tạp chí y học Wertheim cung cấp cho các bạn kiến thức về ngành y đề tài: A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language. | Herzog et al. Genome Biology 2011 12 R8 http genomebiology.eom 2011 12 1 R8 Genome Biology METHOD Open Access A novel informaties concept for high-throughput shotgun lipidomies based on the molecular fragmentation query language Ronny Herzog1 2t Dominik Schwudke1 3t Kai Schuhmann1 2 Julio L Sampaio 1 Stefan R Bornstein2 Michael Schroeder4 and Andrej Shevchenko1 Abstract Shotgun lipidome profiling relies on direct mass spectrometric analysis of total lipid extracts from cells tissues or organisms and is a powerful tool to elucidate the molecular composition of lipidomes. We present a novel informatics concept of the molecular fragmentation query language implemented within the LipidXplorer open source software kit that supports accurate quantification of individual species of any ionizable lipid class in shotgun spectra acquired on any mass spectrometry platform. Background Lipidomics an emerging scientific discipline aims at the quantitative molecular characterization of the full lipid complement of cells tissues or whole organisms reviewed in 1-4 . Eukaryotic lipidomes comprise over a hundred lipid classes each of which is represented by a large number of individual yet structurally related molecules. According to different estimates a eukaryotic lipidome might contain from 9 000 to 100 000 individual molecular lipid species in total 2 5 . Due to the enormous compositional complexity and diversity of physicochemical properties of individual lipid molecules lipidomic analyses rely heavily on mass spectrometry. A shotgun lipidomics methodology implies that total lipid extracts from cells or tissues are directly infused into a tandem mass spectrometer and the identification of individual species relies on their accurately determined masses and or MS MS spectra acquired from corresponding precursor ions 6-8 . The apparent technical simplicity of shotgun lipido-mics is appealing indeed molecular species from many lipid classes are determined in parallel in a single .