In-depth lipidomic analysis of tri-, di-, and mono-acylglycerols released from milk fat after in vitro digestion

Teng, Fei; Reis, Mariza Gomes; Yang, Lin; Ma, Ying; Day, Li

doi:10.1016/j.foodchem.2019.124976

Cited by 29 publications

(26 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As was the case for bovine milk TG profiling, we have also presented here comprehensive TG profiles for infant formulas. Several earlier infant formula TG composition studies have been examined, and none of them reported more than 100 TG species. − Our study, by contrast, identified at least 200 TG species in each infant formula tested, which possibly makes it the most complex infant formula TG profile presented in the literature to date. Both our bovine milk and infant formula TG profiles resemble earlier reports in several aspects, which again confirms the performance of TAILOR-MS.…”

Section: Discussionmentioning

confidence: 58%

“…Furthermore, chromatographic separation of TG species based on physicochemical properties (e.g., polarity) is often applied prior to mass spectrometric analysis to provide further retention time (RT) information. , For example, Li et al detailed the identification of TG species in soybean seeds by measuring TG ammonium adducts and their multiple neutral losses of FA moieties under positive ion mode with an ESI triple quadrupole mass spectrometer . Similar approaches have also been implemented to identify bovine milk and infant formula TG composition in numerous other reports using different types of chromatography coupled mass spectrometers. ,,,− Because one product ion peak only reveals the identity of an FA (with [diacylglycerol] + ) from the selected TG, matching the detected product ion peaks based on their abundances and RT is necessary in order to decipher TG structures. When conducted manually, this entire process can be laborious, time-consuming, and prone to errors, especially when the sample of interest has a complex TG composition, e.g., bovine milk. , …”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

TAILOR-MS, a Python Package that Deciphers Complex Triacylglycerol Fatty Acyl Structures: Applications for Bovine Milk and Infant Formulas

Peng

Salim²,

Pelle³

et al. 2021

Anal. Chem.

View full text Add to dashboard Cite

Liquid chromatography tandem mass spectrometry (LC/MS) and other mass spectrometric technologies have been widely applied for triacylglycerol profiling. One challenge for targeted identification of fatty acyl moieties that constitute triacylglycerol species in biological samples is the numerous combinations of 3 fatty acyl groups that can form a triacylglycerol molecule. Manual determination of triacylglycerol structures based on peak intensities and retention time can be highly inefficient and error-prone. To resolve this, we have developed TAILOR-MS, a Python (programming language) package that aims at assisting: (1) the generation of targeted LC/MS methods for triacylglycerol detection and (2) automating triacylglycerol structural determination and prediction. To assess the performance of TAILOR-MS, we conducted LC/MS triacylglycerol profiling of bovine milk and two infant formulas. Our results confirmed dissimilarities between bovine milk and infant formula triacylglycerol composition. Furthermore, we identified 247 triacylglycerol species and predicted the possible existence of another 317 in the bovine milk sample, representing one of the most comprehensive reports on the triacylglycerol composition of bovine milk thus far. Likewise, we presented here a complete infant formula triacylglycerol profile and reported >200 triacylglycerol species. TAILOR-MS dramatically shortened the time required for triacylglycerol structural identification from hours to seconds and performed decent structural predictions in the absence of some triacylglycerol constituent peaks. Taken together, TAILOR-MS is a valuable tool that can greatly save time and improve accuracy for targeted LC/MS triacylglycerol profiling.

show abstract

Section: Discussionmentioning

confidence: 58%

Section: Introductionmentioning

confidence: 99%

TAILOR-MS, a Python Package that Deciphers Complex Triacylglycerol Fatty Acyl Structures: Applications for Bovine Milk and Infant Formulas

Peng

Salim²,

Pelle³

et al. 2021

Anal. Chem.

View full text Add to dashboard Cite

show abstract

“…The red EFA chain position in 3C was arbitrary by HRMS detection, and it was able to switch with the black EFA chains in the same structure. The relatively stable ammonium adduct ions [M + NH 4 ] + of TAGs, 3B and 3C in Figure , were readily generated during the positive ESI-LCMS detection. , They could be easily differentiated from other categories of glyceride adduct ions such as [M + H] + and [M + Na] + , which were usually shown as odd numbers of molecular weights.…”

Section: Resultsmentioning

confidence: 99%

HRMS Detector for the New HILIC CBD Method Development in Hemp Seed Oil

Wang

Hao

Pan

2020

J. Am. Soc. Mass Spectrom.

View full text Add to dashboard Cite

The cannabis analysis has gained new importance worldwide due to the rapid expansion of the hemp global market. Many reverse phase high performance liquid chromatography (HPLC) methods have been developed to analyze cannabidiol (CBD) and its analogues due to the nice fit with their log P values at around 6. However, when CBD was blended with hemp seed oil in consumer, cosmetic, and food industries, the high content of triacylglycerides (TAGs) from hemp seed oil were retained and accumulated inside C18 columns with the common mobile phases and caused a column pressure increase and ghost peaks after continuous sample injections. Coupled with the chemical profile from high resolution mass spectrometry (HRMS) detection, a novel hydrophilic interaction liquid chromatography (HILIC) CBD quantitation method was developed, specifically for CBD blended hemp seed oil materials, which can overcome the matrix buildup in reverse phase columns. The zwitterionic (ZIC)-cHILIC column containing a dense water layer on the stationary phase surface provided a stable partitioning separation mechanism to separate the CBD from TAGs in hemp seed oil. This water layer favors the sustaining NH4F buffer ions, which can maximize the salting-out action and help reduce the adsorptive interaction between TAGs and stationary phase sulfobetaine materials. The high percentage of acetonitrile (99%) contributed to method sensitivity and reduced instrument maintenance time. The method was developed and validated for the first time. It has been successfully applied to quantify CBD content in hemp seed oil samples, thus demonstrating it to be a useful tool for both quality control and safety assurance in CBD hemp seed oil raw materials and related products.

show abstract

“…Moreover, it is simple, quick, and can be used in a small scale, consuming low volumes of organic solvent. This technique was recently used for comparing the digestion and absorption rate of dietary lipid from edible oils [24] and assessing the degree of lipolysis from milk fat [31]. In this work, this protocol was the method of choice for fat extraction from the simulated small intestinal digesta.…”

Section: Fat Extraction Methodsmentioning

confidence: 99%

Assessment of Fatty Acid-Specific Lipolysis by In Vitro Digestion and GC-FID

Tormási

Abrankó

2021

Nutrients

View full text Add to dashboard Cite

The nutritional relevance of food compositional data could be improved by taking the bioaccessibility of these constituents into account. A lack of routine methods to assess the bioaccessibility of fatty acids (FAs) in food is one of the limiting factors of doing so. An analytical protocol is proposed for routine assessment of the extent of lipolysis via in vitro digestion simulation methods in food products. The established method provides specific information on each FA individually. Steps of the protocol including the Bligh and Dyer chloroform/methanol/water extraction of esterified and free FAs from in vitro digesta, methyl ester derivatization, and GC-FID analysis were specifically tailored to help routine work and were harmonized with the Infogest in vitro digestion simulation protocol (both v1.0 and v2.0). The method was applied to assess the degree of FA-specific lipolysis in a baked fish (carp) meal and the results showed that the FA composition of the original food significantly differed from that of the distribution of FFAs in the digesta. The use of gastric lipase (in Infogest v2.0 protocol) increased total FA release by 9.5% and its specific impact on palmitic acid was the most prominent.

show abstract

In-depth lipidomic analysis of tri-, di-, and mono-acylglycerols released from milk fat after in vitro digestion

Cited by 29 publications

References 38 publications

TAILOR-MS, a Python Package that Deciphers Complex Triacylglycerol Fatty Acyl Structures: Applications for Bovine Milk and Infant Formulas

TAILOR-MS, a Python Package that Deciphers Complex Triacylglycerol Fatty Acyl Structures: Applications for Bovine Milk and Infant Formulas

HRMS Detector for the New HILIC CBD Method Development in Hemp Seed Oil

Assessment of Fatty Acid-Specific Lipolysis by In Vitro Digestion and GC-FID

Contact Info

Product

Resources

About