Dataset Information

Development and Validation of a Simple Method to Quantify Contents of Phospholipids in Krill Oil by Fourier-Transform Infrared Spectroscopy.

ABSTRACT: This study focuses on developing a quantification method for phosphatidylcholine (PC) and total phospholipid (PL) in krill oil using Fourier-transform infrared (FT-IR) spectroscopy. Signals derived from the choline and phosphate groups were selected as indicator variables for determining PC and total PL content; calibration curves with a correlation coefficient of >0.988 were constructed with calibration samples prepared by mixing krill oil raw material and fish oil in different ratios. The limit of detection (LOD, 0.35-3.29%) of the method was suitable for the designed assay with good accuracy (97.90-100.33%). The relative standard deviations for repeatability (0.90-2.31%) were acceptable. Therefore, both the methods using absorbance and that using second-derivative were confirmed to be suitable for quantitative analysis. When applying this method to test samples, including supplements, the PC content and total PL content were in good agreement with an average difference of 2-3% compared to the 31P NMR method. These results confirmed that the FT-IR method can be used as a convenient and rapid alternative to the 31P NMR method for quantifying PLs in krill oil.

SUBMITTER: Park SE

PROVIDER: S-EPMC8750116 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature

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Development and Validation of a Simple Method to Quantify Contents of Phospholipids in Krill Oil by Fourier-Transform Infrared Spectroscopy.

Park Se-Eun SE Yu Hyo-Yeon HY Ahn Sangdoo S

Foods (Basel, Switzerland) 20211224 1

This study focuses on developing a quantification method for phosphatidylcholine (PC) and total phospholipid (PL) in krill oil using Fourier-transform infrared (FT-IR) spectroscopy. Signals derived from the choline and phosphate groups were selected as indicator variables for determining PC and total PL content; calibration curves with a correlation coefficient of >0.988 were constructed with calibration samples prepared by mixing krill oil raw material and fish oil in different ratios. The limi ...[more]

PMID: 35010171

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Project description:Fourier transform infrared (FTIR) spectroscopy, a technology traditionally used in chemistry to determine the molecular composition of a wide range of sample types, has gained growing interest in microbial typing. It is based on the different vibrational modes of the covalent bonds between atoms of a given sample, as bacterial cells, induced by the absorption of infrared radiation. This technique has been largely used for the study of pathogenic species, especially in the clinical field, and has been proposed also for the typing at different subspecies levels. The high throughput, speed, low cost, and simplicity make FTIR spectroscopy an attractive technique also for industrial applications, in particular, for probiotics. The aim of this study was to compare FTIR spectroscopy with established genotyping methods, pulsed-field gel electrophoresis (PFGE), whole-genome sequencing (WGS), and multilocus sequence typing (MLST), in order to highlight the FTIR spectroscopy potential discriminatory power at strain level. Our study focused on bifidobacteria, an important group of intestinal commensals generally recognized as probiotics. For their properties in promoting and maintaining health, bifidobacteria are largely marketed by the pharmaceutical, food, and dairy industries. Strains belonging to Bifidobacterium longum subsp. longum and Bifidobacterium animalis subsp. lactis were taken into consideration together with some additional type strains. For B. longum subsp. longum, it was possible to discriminate the strains with all the methods used. Although two isolates were shown to be strictly phylogenetically related, constituting a unique cluster, based on PFGE, WGS, and MLST, no clustering was observed with FTIR. For B. animalis subsp. lactis group, PFGE, WGS, and MLST were non-discriminatory, and only one strain was easily distinguished. On the other hand, FTIR discriminated all the isolates one by one, and no clustering was observed. According to these results, FTIR analysis is not only equivalent to PFGE, WGS, and MLST, but also for some strains, in particular, for B. animalis subsp. lactis group, more informative, being able to differentiate strains not discernible with the other two methods based on phenotypic variations likely deriving from certain genetic changes. Fourier transform infrared spectroscopy has highlighted the possibility of using the cell surface as a kind of barcode making tracing strains possible, representing an important aspect in probiotic applications. Furthermore, this work constitutes the first investigation on bifidobacterial strain typing using FTIR spectroscopy.

Project description:Respirable dust mass is a prevalent occupational health hazard to the mining workforce. Mineral matrices observed in the mine environment are complex, time varying, and heterogeneous. This poses a challenge to assessing dust exposure using Fourier transform infrared (FT-IR) spectrometry as calibrations for constituent dust species (e.g., crystalline silica) have historically been trained using homogeneous standards or simple mixtures therein. Investigations have considered direct-on-filter analysis, which collects FT-IR spectra directly from sampling filters for calibration, as an alternative. Direct-on-filter analysis using a partial least squares (PLS) method has gained particular interest recently due to the potential to rapidly quantify multiple species from a single filter at the mine site. By design, heterogeneity, and its presumed impact on method accuracy, cannot be addressed in the laboratory when using a direct-on-filter approach motivating the need for more advanced calibration approaches. When heterogeneity is present, mixture of experts (MoE) finite mixture models offer a promising and novel alternative to PLS direct-on-filter analysis as MoE incorporates cluster discovery, regression, and outlier identification into model fitting. Three MoE models of increasing complexity were tasked with determining respirable dust mass in 243 field samples from thirteen active coal, limestone, sandstone, and silver mines. All MoE models, including those using only "expert" spectroscopic predictors or a combination of expert and categorical "gate" variables (e.g., mine type), significantly outperform PLS in terms of accuracy (α = 0.05). Decomposing bias by mine type shows that accuracy generally improves across all types considered when MoE models are not overfitted. The MoE method's effectiveness was linked to its ability to endogenously classify outliers as well as possibly to the use of an additional cluster model for mass predictions. Overall, MoE methods appear as a capable and novel tool to addressing problems of heterogeneity for direct-on-filter quantitative analysis.

Dataset Information

Development and Validation of a Simple Method to Quantify Contents of Phospholipids in Krill Oil by Fourier-Transform Infrared Spectroscopy.

Publications

Development and Validation of a Simple Method to Quantify Contents of Phospholipids in Krill Oil by Fourier-Transform Infrared Spectroscopy.

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