Solvent-Free Lipid Separation and Attenuated Total Reflectance Infrared Spectroscopy for Fast and Green Fatty Acid Profiling of Human Milk
This study presents the first mid-infrared (IR)-based method capable of simultaneously predicting concentrations of individual fatty acids (FAs) and relevant sum parameters in human milk (HM). Representative fat fractions of 50 HM samples were obtained by rapid, two-step centrifugation and subsequen...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-12-01
|
| Series: | Foods |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2304-8158/11/23/3906 |
| _version_ | 1797463220718403584 |
|---|---|
| author | Christopher Karim Akhgar Victoria Ramos-Garcia Vanessa Nürnberger Alba Moreno-Giménez Julia Kuligowski Erwin Rosenberg Andreas Schwaighofer Bernhard Lendl |
| author_facet | Christopher Karim Akhgar Victoria Ramos-Garcia Vanessa Nürnberger Alba Moreno-Giménez Julia Kuligowski Erwin Rosenberg Andreas Schwaighofer Bernhard Lendl |
| author_sort | Christopher Karim Akhgar |
| collection | DOAJ |
| description | This study presents the first mid-infrared (IR)-based method capable of simultaneously predicting concentrations of individual fatty acids (FAs) and relevant sum parameters in human milk (HM). Representative fat fractions of 50 HM samples were obtained by rapid, two-step centrifugation and subsequently measured with attenuated total reflection IR spectroscopy. Partial least squares models were compiled for the acquired IR spectra with gas chromatography-mass spectrometry (GC-MS) reference data. External validation showed good results particularly for the most important FA sum parameters and the following individual FAs: C12:0 (R<sup>2</sup><sub>P</sub> = 0.96), C16:0 (R<sup>2</sup><sub>P</sub> = 0.88), C18:1cis (R<sup>2</sup><sub>P</sub> = 0.92), and C18:2cis (R<sup>2</sup><sub>P</sub> = 0.92). Based on the obtained results, the effect of different clinical parameters on the HM FA profile was investigated, indicating a change of certain sum parameters over the course of lactation. Finally, assessment of the method’s greenness revealed clear superiority compared to GC-MS methods. The reported method thus represents a high-throughput, green alternative to resource-intensive established techniques. |
| first_indexed | 2024-03-09T17:47:35Z |
| format | Article |
| id | doaj.art-8a070e6090274824a69fe38cabf9b612 |
| institution | Directory Open Access Journal |
| issn | 2304-8158 |
| language | English |
| last_indexed | 2024-03-09T17:47:35Z |
| publishDate | 2022-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Foods |
| spelling | doaj.art-8a070e6090274824a69fe38cabf9b6122023-11-24T11:00:34ZengMDPI AGFoods2304-81582022-12-011123390610.3390/foods11233906Solvent-Free Lipid Separation and Attenuated Total Reflectance Infrared Spectroscopy for Fast and Green Fatty Acid Profiling of Human MilkChristopher Karim Akhgar0Victoria Ramos-Garcia1Vanessa Nürnberger2Alba Moreno-Giménez3Julia Kuligowski4Erwin Rosenberg5Andreas Schwaighofer6Bernhard Lendl7Institute of Chemical Technologies and Analytics, Technische Universität Wien, Getreidemarkt 9, 1060 Vienna, AustriaHealth Research Institute La Fe, Avenida Fernando Abril Martorell 106, 46026 Valencia, SpainInstitute of Chemical Technologies and Analytics, Technische Universität Wien, Getreidemarkt 9, 1060 Vienna, AustriaHealth Research Institute La Fe, Avenida Fernando Abril Martorell 106, 46026 Valencia, SpainHealth Research Institute La Fe, Avenida Fernando Abril Martorell 106, 46026 Valencia, SpainInstitute of Chemical Technologies and Analytics, Technische Universität Wien, Getreidemarkt 9, 1060 Vienna, AustriaInstitute of Chemical Technologies and Analytics, Technische Universität Wien, Getreidemarkt 9, 1060 Vienna, AustriaInstitute of Chemical Technologies and Analytics, Technische Universität Wien, Getreidemarkt 9, 1060 Vienna, AustriaThis study presents the first mid-infrared (IR)-based method capable of simultaneously predicting concentrations of individual fatty acids (FAs) and relevant sum parameters in human milk (HM). Representative fat fractions of 50 HM samples were obtained by rapid, two-step centrifugation and subsequently measured with attenuated total reflection IR spectroscopy. Partial least squares models were compiled for the acquired IR spectra with gas chromatography-mass spectrometry (GC-MS) reference data. External validation showed good results particularly for the most important FA sum parameters and the following individual FAs: C12:0 (R<sup>2</sup><sub>P</sub> = 0.96), C16:0 (R<sup>2</sup><sub>P</sub> = 0.88), C18:1cis (R<sup>2</sup><sub>P</sub> = 0.92), and C18:2cis (R<sup>2</sup><sub>P</sub> = 0.92). Based on the obtained results, the effect of different clinical parameters on the HM FA profile was investigated, indicating a change of certain sum parameters over the course of lactation. Finally, assessment of the method’s greenness revealed clear superiority compared to GC-MS methods. The reported method thus represents a high-throughput, green alternative to resource-intensive established techniques.https://www.mdpi.com/2304-8158/11/23/3906mid-infrared spectroscopyattenuated total reflectionhuman milkfatty acidsgreen analytical chemistrypartial least squares |
| spellingShingle | Christopher Karim Akhgar Victoria Ramos-Garcia Vanessa Nürnberger Alba Moreno-Giménez Julia Kuligowski Erwin Rosenberg Andreas Schwaighofer Bernhard Lendl Solvent-Free Lipid Separation and Attenuated Total Reflectance Infrared Spectroscopy for Fast and Green Fatty Acid Profiling of Human Milk Foods mid-infrared spectroscopy attenuated total reflection human milk fatty acids green analytical chemistry partial least squares |
| title | Solvent-Free Lipid Separation and Attenuated Total Reflectance Infrared Spectroscopy for Fast and Green Fatty Acid Profiling of Human Milk |
| title_full | Solvent-Free Lipid Separation and Attenuated Total Reflectance Infrared Spectroscopy for Fast and Green Fatty Acid Profiling of Human Milk |
| title_fullStr | Solvent-Free Lipid Separation and Attenuated Total Reflectance Infrared Spectroscopy for Fast and Green Fatty Acid Profiling of Human Milk |
| title_full_unstemmed | Solvent-Free Lipid Separation and Attenuated Total Reflectance Infrared Spectroscopy for Fast and Green Fatty Acid Profiling of Human Milk |
| title_short | Solvent-Free Lipid Separation and Attenuated Total Reflectance Infrared Spectroscopy for Fast and Green Fatty Acid Profiling of Human Milk |
| title_sort | solvent free lipid separation and attenuated total reflectance infrared spectroscopy for fast and green fatty acid profiling of human milk |
| topic | mid-infrared spectroscopy attenuated total reflection human milk fatty acids green analytical chemistry partial least squares |
| url | https://www.mdpi.com/2304-8158/11/23/3906 |
| work_keys_str_mv | AT christopherkarimakhgar solventfreelipidseparationandattenuatedtotalreflectanceinfraredspectroscopyforfastandgreenfattyacidprofilingofhumanmilk AT victoriaramosgarcia solventfreelipidseparationandattenuatedtotalreflectanceinfraredspectroscopyforfastandgreenfattyacidprofilingofhumanmilk AT vanessanurnberger solventfreelipidseparationandattenuatedtotalreflectanceinfraredspectroscopyforfastandgreenfattyacidprofilingofhumanmilk AT albamorenogimenez solventfreelipidseparationandattenuatedtotalreflectanceinfraredspectroscopyforfastandgreenfattyacidprofilingofhumanmilk AT juliakuligowski solventfreelipidseparationandattenuatedtotalreflectanceinfraredspectroscopyforfastandgreenfattyacidprofilingofhumanmilk AT erwinrosenberg solventfreelipidseparationandattenuatedtotalreflectanceinfraredspectroscopyforfastandgreenfattyacidprofilingofhumanmilk AT andreasschwaighofer solventfreelipidseparationandattenuatedtotalreflectanceinfraredspectroscopyforfastandgreenfattyacidprofilingofhumanmilk AT bernhardlendl solventfreelipidseparationandattenuatedtotalreflectanceinfraredspectroscopyforfastandgreenfattyacidprofilingofhumanmilk |