title: High Throughput Identification and Quantification of Phospholipids in Complex Mixtures.
abstract: We present a fully automatic method, autoP, for identification and quantification of lipids in complex lipid mixtures from 1D (31)P and 2D (1)H-(31)P NMR spectra. The (31)P chemical shifts in lipids are highly sensitive to experimental conditions such as pH and temperature, so the present method uses the much more unambiguous (1)H chemical shifts for assignment and (31)P intensities for quantification. By using 2D (1)H-(31)P total correlation spectroscopy (TOCSY) correlation experiments, we demonstrate that approximately 20 different lipids can be automatically and unambiguously assigned and quantified by this automatic method.
authors.affiliation: Center for Ultrahigh-Field NMR Spectroscopy, Interdisciplinary Nanoscience Center and Department of Chemistry, Aarhus University , Gustav Wieds Vej 14, DK-8000 Aarhus C, Denmark.
authors.forename: Nicholas M
authors.initials: NM
authors.lastname: Balsgart
authors.affiliation: Department of Engineering, Aarhus University , Gustav Wieds Vej 10, 8000 Aarhus C, Denmark.|DuPont Nutrition Biosciences ApS , Edwin Rahrs Vej 38, DK-8220 Brabrand, Denmark.
authors.forename: Mette
authors.initials: M
authors.lastname: Mulbjerg
authors.affiliation: Department of Engineering, Aarhus University , Gustav Wieds Vej 10, 8000 Aarhus C, Denmark.
authors.forename: Zheng
authors.initials: Z
authors.lastname: Guo
authors.affiliation: DuPont Nutrition Biosciences ApS , Edwin Rahrs Vej 38, DK-8220 Brabrand, Denmark.
authors.forename: Kresten
authors.initials: K
authors.lastname: Bertelsen
authors.affiliation: Center for Ultrahigh-Field NMR Spectroscopy, Interdisciplinary Nanoscience Center and Department of Chemistry, Aarhus University , Gustav Wieds Vej 14, DK-8000 Aarhus C, Denmark.
authors.forename: Thomas
authors.initials: T
authors.lastname: Vosegaard
mesh_terms: D045424:Complex Mixtures / Q000737:chemistry*; D057166:High-Throughput Screening Assays; D009682:Magnetic Resonance Spectroscopy; D010743:Phospholipids / Q000032:analysis*; D010759:Phosphorus Isotopes; D011522:Protons
chemical_list: D045424:Complex Mixtures; D010743:Phospholipids; D010759:Phosphorus Isotopes; D011522:Protons