Abstract

Comprehensive two-dimensional gas chromatography (GC×GC) was used in this work in order to reveal and identify minor compounds of several raw materials in biodiesel samples, which are not detected by conventional GC analysis. Multiway principal component analysis (MPCA) of the chromatographic profile allowed to identify compounds as C15:1n-3, C18:2n-6, C20:1n-6, C20:3n-3, C20:3n-6, C20:4n-6 C20:5n-3, C21:1n-6, C22:1n-9, C23:1n-9, C24:1n-9 multi-unsaturated which were useful tracers to discriminate between biodiesel samples. In this way, the separation power of GC×GC combined with the MPCA algorithm proved to be a valuable strategy for biodiesel samples classification, allowing identification and providing additional compounds of the commonly known as chemical profile of biodiesel samples.

Highlights

  • Biodiesel fuel has been used lately as an attractive alternative to the conventional petrodiesel fuel,[1,2] mainly due to its renewable nature

  • Coelution can be found in the biodiesel samples, as a result of the structural similarity of some fatty acids, which are hardly resolved by gas chromatography coupled with flame ionization detection (GC-FID),[3] another drawback is the detection of the minority compounds that, due to their low concentration, normally exhibit low detectability with technique, an increase in the separation and detection power is required in order to improve the reliability of the results.[1,2,3]

  • The combined use of Multiway principal component analysis (MPCA) with data from GC×GC for the analysis of bio-fuels as biodiesel is quite incipient. In this sense the current study proposes a new analytical methods to classify biodiesel samples, by using GC×GC-FID and two dimensional gas chromatography fast quadrupole mass spectrometry (GC×GC-QMS), in order to detect and identify possibly new compounds, through the increment of the sensitivity, resolution and detectability of the multidimensional technique that can be used for discriminate the biodiesel samples prepared from soybean oil, canola oil, corn oil, unprocessed soybean oil, used soybean oil, bovine fat, and sunflower oil by MPCA

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Summary

Introduction

Biodiesel fuel has been used lately as an attractive alternative to the conventional petrodiesel fuel,[1,2] mainly due to its renewable nature. Coelution can be found in the biodiesel samples, as a result of the structural similarity of some fatty acids, which are hardly resolved by GC-FID,[3] another drawback is the detection of the minority compounds that, due to their low concentration, normally exhibit low detectability with technique, an increase in the separation and detection power is required in order to improve the reliability of the results.[1,2,3] In this regard, two-dimensional gas chromatography (GC×GC) has been used as an interesting tool which offers an increased peak of capacity (number of peaks that can be separated in a run chromatography) in comparison with conventional GC.[8,9] In this system the entire sample is subjected to the separation mechanisms of the two coupled stationary phases, which have different selectivity or polarity index, in order to separate compounds that suffer coelution in the first dimension (GC).[8,9,10]. In this sense the current study proposes a new analytical methods to classify biodiesel samples, by using GC×GC-FID and two dimensional gas chromatography fast quadrupole mass spectrometry (GC×GC-QMS), in order to detect and identify possibly new compounds, through the increment of the sensitivity, resolution and detectability of the multidimensional technique that can be used for discriminate the biodiesel samples prepared from soybean oil, canola oil, corn oil, unprocessed soybean oil, used soybean oil, bovine fat, and sunflower oil by MPCA

Materials and methods
Chromatographic methods
Results and Discussion
Conclusions
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