Related Experiment Video
Updated: Mar 2, 2026

Resolving Water, Proteins, and Lipids from In Vivo Confocal Raman Spectra of Stratum Corneum through a Chemometric Approach
Published on: September 26, 2019
Resolving NMR signals of short-chain fatty acid mixtures using unsupervised component analysis
Jorge Costa Pereira1, Ivana Jarak2,3, Rui Albuquerque Carvalho3,4
1CQC, Department of Chemistry, University of Coimbra, P-3004 535, Coimbra, Portugal.
Abstract:
Nuclear magnetic resonance (NMR) is a very powerful instrumental technique suited to identify and characterize organic compounds. NMR has been successfully used in the analysis of complex biological and environmental samples; however, these applications are still rather limited. In this work, we describe unsupervised component analysis as a multivariate unsupervised method suited to identify the number of relevant NMR signal contributions and to deconvolve mixed signals into signal individual sources and respective contributions. Using this approach, we were able to advance further in the field of quantification of NMR spectra, and this methodology will help in the characterization of complex biological samples. Copyright © 2017 John Wiley & Sons, Ltd.
Related Concept Videos
¹H NMR Signal Integration: Overview
¹³C NMR: ¹H–¹³C Decoupling
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
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...
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

