Related Experiment Video
Updated: Feb 3, 2026

NMR Spectroscopy as a Robust Tool for the Rapid Evaluation of the Lipid Profile of Fish Oil Supplements
Published on: May 1, 2017
1H NMR Spectroscopy for Determination of the Geographical Origin of Hazelnuts
René Bachmann1, Sven Klockmann2, Johanna Haerdter1
1Institute of Organic Chemistry , University of Hamburg , Martin-Luther-King-Platz 6 , 20146 Hamburg , Germany.
Abstract:
A total of 262 authentic samples was analyzed by 1H NMR spectroscopy for the geographical discrimination of hazelnuts ( Corylus avellana L.) covering samples from five countries (Germany, France, Georgia, Italy, and Turkey) and the harvest years 2013-2016. This article describes method development starting with an extraction protocol suitable for separation of polar and nonpolar metabolites in addition to reduction of macromolecular components. Using the polar fraction for data analysis, principle component analysis was applied and used to monitor sample preparation and measurement. Several machine learning algorithms were tested to build a classification model. The best results were obtained by a linear discrimination analysis applying a random subspace algorithm. The division of the samples in a trainings set and a test set yielded a cross validation accuracy of 91% for the training set and an accuracy of 96% for the test set. The identification of key features was carried out by Kruskal-Wallis test and t test. A feature assigned to betaine exhibits a significant level for the classification of all five countries and is considered a possible candidate for the development of targeted approaches. Further, the results were compared to a previously published study based on LC-MS analysis of nonpolar metabolites. In summary, this study shows the robustness and high accuracy of a discrimination model based on NMR analysis of polar metabolites.
More Related Videos
14:56Investigating Cardiac Metabolism in the Isolated Perfused Mouse Heart with Hyperpolarized [1-13C]Pyruvate and 13C/31P NMR Spectroscopy
Published on: April 21, 2023
07:54Assessing Hepatic Metabolic Changes During Progressive Colonization of Germ-free Mouse by 1H NMR Spectroscopy
Published on: December 15, 2011
Related Concept Videos
NMR Spectroscopy Of Amines
NMR Spectroscopy of Aromatic Compounds
NMR Spectroscopy of Benzene Derivatives
NMR Spectroscopy: Chemical Shift Overview
For instance, the proton...
NMR Spectroscopy: Spin–Spin Coupling
NMR and Mass Spectroscopy of Carboxylic Acids
While α protons of carboxylic acids absorb at 2–2.5 ppm, β protons absorb further upfield.
Carboxylic acids are easily identified by dissolving them in deuterium oxide, which results in a rapid exchange of the acidic protons with deuterium. This leads to the...