title: Automatic ¹H-NMR Screening of Fatty Acid Composition in Edible Oils.
abstract: In this work, we introduce an NMR-based screening method for the fatty acid composition analysis of edible oils. We describe the evaluation and optimization needed for the automated analysis of vegetable oils by low-field NMR to obtain the fatty acid composition (FAC). To achieve this, two scripts, which automatically analyze and interpret the spectral data, were developed. The objective of this work was to drive forward the automated analysis of the FAC by NMR. Due to the fact that this protocol can be carried out at low field and that the complete process from sample preparation to printing the report only takes about 3 min, this approach is promising to become a fundamental technique for high-throughput screening. To demonstrate the applicability of this method, the fatty acid composition of extra virgin olive oils from various Spanish olive varieties (arbequina, cornicabra, hojiblanca, manzanilla, and picual) was determined by ¹H-NMR spectroscopy according to this protocol.
authors.affiliation: Centro de Asistencia a la Investigación de Resonancia Magnética Nuclear y de Resonancia de Spin Electrónico (CAI de RMN y RSE), Universidad Complutense de Madrid, 28040 Madrid, Spain. dcastejon@pluri.ucm.es.
authors.forename: David
authors.initials: D
authors.lastname: Castejón
authors.affiliation: Department of Molecular Biophysics, Leibniz-Institut für Molekulare Pharmakologie, 13125 Berlin, Germany. fricke@fmp-berlin.de.
authors.forename: Pascal
authors.initials: P
authors.lastname: Fricke
authors.affiliation: Department of Nutrition, Bromatology and Food Technology, Veterinary Faculty, Universidad Complutense de Madrid, 28040 Madrid, Spain. icambero@ucm.es.
authors.forename: María Isabel
authors.initials: MI
authors.lastname: Cambero
authors.affiliation: Department of Organic Chemistry, Chemistry Faculty, Universidad Complutense de Madrid, 28040 Madrid, Spain. aherrera@ucm.es.
authors.forename: Antonio
authors.initials: A
authors.lastname: Herrera
mesh_terms: D005227:Fatty Acids / Q000032:analysis*; D006801:Humans; D031658:Olea / Q000737:chemistry*; D000069463:Olive Oil / Q000737:chemistry*; D010938:Plant Oils / Q000737:chemistry; D066244:Proton Magnetic Resonance Spectroscopy / Q000379:methods*
chemical_list: D005227:Fatty Acids; D000069463:Olive Oil; D010938:Plant Oils
keywords: MestreNova; NMR spectroscopy; TopSpin; automatic analysis; edible oil; fatty acid composition; iodine value