One-Pot Analysis: a New Integrated Methodology for Determination of TAG and FA Determination through LC/MS and in-silico Saponification

Risultato della ricerca: Article

2 Citazioni (Scopus)

Abstract

Vegetable oils differ significantly for their lipid profile and are mainly constituted by triacylglycerols (TAGs). These are esters formed bonding glycerol to three fatty acids (FAs). To the best of our knowledge, FA and TAG profiles in oils and fats are obtained using at least two different experimental techniques. In particular, FA determination requires elaborated procedures for sample preparation and analyte derivatization. In this work, we propose a one-pot analysis able to determine both TAG and FA contents of edible oils, using experimental data obtained from a simple liquid chromatography/mass spectrometry determination of TAGs. This experimental procedure is followed by an in silico saponification process, carried out using a purposely developed software (Tag-Check), able to produce the requested FA profiles. The in silico saponification procedure has been applied on experimental TAG composition data of several vegetable oils, showing always a good agreement with FA profiles obtained by traditional hydrolysis-GC/FID determination of FA methyl esters. The procedure and related software have been further tested by processing literature data reported for TAG in a series of edible oils. Results evidenced the reliability of the in silico saponification approach and its usefulness for checking TAG data results.
Lingua originaleEnglish
pagine (da-a)873-882
Numero di pagine10
RivistaFood Analytical Methods
Volume11
Stato di pubblicazionePublished - 2018

Fingerprint

Saponification
saponification
Fatty acids
Computer Simulation
Triglycerides
Fatty Acids
triacylglycerols
fatty acids
methodology
vegetables
Oils and fats
Oils
Plant Oils
Vegetable oils
fatty acid composition
vegetable oil
oils
Esters
Software
Liquid chromatography

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Food Science
  • Applied Microbiology and Biotechnology
  • Safety, Risk, Reliability and Quality
  • Safety Research

Cita questo

@article{5d7edf013cb94abeb144e5ffa22d7791,
title = "One-Pot Analysis: a New Integrated Methodology for Determination of TAG and FA Determination through LC/MS and in-silico Saponification",
abstract = "Vegetable oils differ significantly for their lipid profile and are mainly constituted by triacylglycerols (TAGs). These are esters formed bonding glycerol to three fatty acids (FAs). To the best of our knowledge, FA and TAG profiles in oils and fats are obtained using at least two different experimental techniques. In particular, FA determination requires elaborated procedures for sample preparation and analyte derivatization. In this work, we propose a one-pot analysis able to determine both TAG and FA contents of edible oils, using experimental data obtained from a simple liquid chromatography/mass spectrometry determination of TAGs. This experimental procedure is followed by an in silico saponification process, carried out using a purposely developed software (Tag-Check), able to produce the requested FA profiles. The in silico saponification procedure has been applied on experimental TAG composition data of several vegetable oils, showing always a good agreement with FA profiles obtained by traditional hydrolysis-GC/FID determination of FA methyl esters. The procedure and related software have been further tested by processing literature data reported for TAG in a series of edible oils. Results evidenced the reliability of the in silico saponification approach and its usefulness for checking TAG data results.",
author = "Serena Indelicato and Leopoldo Ceraulo and David Bongiorno and Daniela Piazzese and Fabio Mazzotti and Carlo Siciliano",
year = "2018",
language = "English",
volume = "11",
pages = "873--882",
journal = "Food Analytical Methods",
issn = "1936-9751",
publisher = "Springer New York",

}

TY - JOUR

T1 - One-Pot Analysis: a New Integrated Methodology for Determination of TAG and FA Determination through LC/MS and in-silico Saponification

AU - Indelicato, Serena

AU - Ceraulo, Leopoldo

AU - Bongiorno, David

AU - Piazzese, Daniela

AU - Mazzotti, Fabio

AU - Siciliano, Carlo

PY - 2018

Y1 - 2018

N2 - Vegetable oils differ significantly for their lipid profile and are mainly constituted by triacylglycerols (TAGs). These are esters formed bonding glycerol to three fatty acids (FAs). To the best of our knowledge, FA and TAG profiles in oils and fats are obtained using at least two different experimental techniques. In particular, FA determination requires elaborated procedures for sample preparation and analyte derivatization. In this work, we propose a one-pot analysis able to determine both TAG and FA contents of edible oils, using experimental data obtained from a simple liquid chromatography/mass spectrometry determination of TAGs. This experimental procedure is followed by an in silico saponification process, carried out using a purposely developed software (Tag-Check), able to produce the requested FA profiles. The in silico saponification procedure has been applied on experimental TAG composition data of several vegetable oils, showing always a good agreement with FA profiles obtained by traditional hydrolysis-GC/FID determination of FA methyl esters. The procedure and related software have been further tested by processing literature data reported for TAG in a series of edible oils. Results evidenced the reliability of the in silico saponification approach and its usefulness for checking TAG data results.

AB - Vegetable oils differ significantly for their lipid profile and are mainly constituted by triacylglycerols (TAGs). These are esters formed bonding glycerol to three fatty acids (FAs). To the best of our knowledge, FA and TAG profiles in oils and fats are obtained using at least two different experimental techniques. In particular, FA determination requires elaborated procedures for sample preparation and analyte derivatization. In this work, we propose a one-pot analysis able to determine both TAG and FA contents of edible oils, using experimental data obtained from a simple liquid chromatography/mass spectrometry determination of TAGs. This experimental procedure is followed by an in silico saponification process, carried out using a purposely developed software (Tag-Check), able to produce the requested FA profiles. The in silico saponification procedure has been applied on experimental TAG composition data of several vegetable oils, showing always a good agreement with FA profiles obtained by traditional hydrolysis-GC/FID determination of FA methyl esters. The procedure and related software have been further tested by processing literature data reported for TAG in a series of edible oils. Results evidenced the reliability of the in silico saponification approach and its usefulness for checking TAG data results.

UR - http://hdl.handle.net/10447/245794

M3 - Article

VL - 11

SP - 873

EP - 882

JO - Food Analytical Methods

JF - Food Analytical Methods

SN - 1936-9751

ER -