Oligoester Identification in the Inner Coatings of Metallic Cans by High-Pressure Liquid Chromatography-Mass Spectrometry with Cone Voltage-Induced Fragmentation.

The application of polyesters as food contact materials is an alternative to epoxy resin coatings, which can be a source of endocrine migrants. By using high-pressure liquid chromatography/electrospray ionization-mass spectrometry (HPLC/ESI-MS) with cone voltage-induced fragmentation in-source, a number of polyester-derived migrants were detected in the extracts of inner coatings of metallic cans. The polyester-derived migrants were detected in each inner coating of fish product-containing cans (5/5) and in one inner coating of meat product-containing can (1/5). They were not detected in the inner coatings of vegetable/fruit product-containing cans (10 samples). The respective detected parent and product ions enabled differentiation between cyclic and linear compounds, as well as unambiguous identification of diol and diacid units. Most of the detected compounds, cyclic and linear, were composed of neopentyl glycol as diol and two diacid comonomers, namely isophthalic acid and hexahydrophthalic acid. The other detected oligoesters were composed of neopentyl glycol or propylene glycol and adipic acid/isophthalic acid as comonomers. The compounds containing propylene glycol as diol were found to be exclusively linear cooligoesters. On the basis of abundances of [M+Na]+ ions, the relative contents of cyclic and linear oligoesters were evaluated.

Comment on Villalva et al. Antioxidant, Anti-Inflammatory, and Antibacterial Properties of an Achillea millefolium L. Extract and Its Fractions Obtained by Supercritical Anti-Solvent Fractionation against Helicobacter pylori. Antioxidants 2022, 11, 1849.

Villalva et al. evaluated the potential utility of an Achillea millefolium (yarrow) extract in the control of H. pylori infection. The agar-well diffusions bioassay was applied to determine the antimicrobial activity of yarrow extracts. The supercritical anti-solvent fractionation process of yarrow extract was made to give two different fractions with polar phenolic compounds and monoterpenes and sesquiterpenes, respectively. Phenolic compounds were identified by HPLC-ESIMS by using the accurate masses of [M-H]- ions and the characteristic product ions. However, some of the reported product ions seem to be disputable, as described below.

Exploring Glycosylated Soy Isoflavones Affinities toward G-tetrads as Studied by Survival Yield Method.

Taking soy-based food supplements for menopausal symptoms by women may reduce the risk of cancer. Therefore, the interaction between nucleic acids (or their constituents) and ingredients of the supplements, e. g., isoflavone glucosides, on the molecular level, has been of interest with respect to cancer therapy. In this work, the interaction between isoflavone glucosides and G-tetrads, namely [4G+Na]+ ions (G stands for guanosine or deoxyguanosine), were analyzed by using electrospray ionization-collision induced dissociation-mass spectrometry (ESI-CID-MS) and survival yields method. The strength of isoflavone glucosides-[4G+Na]+ interaction in the gas phase was determined from Ecom50 - the energy required to fragment 50 % of selected precursor ions. Glycitin-[4G+Na]+ interaction was found to be the strongest, and the interaction between isoflavone glucosides and guanosine tetrad was established to be stronger than that between isoflavone glucosides and deoxyguanosine tetrad.

Extraction with Acidified Methanol-An Easy and Effective Method of Methyl Chlorogenate Formation, as Studied by ESI-MS.

Among the different Hawthorn species, Crataegus monogyna seems to be one of the most often used in herbal medicine, and is commercially available. The methanolic extract and the acidified methanol extract of an herbal medicinal product based on Crataegus monogyna inflorescences were analyzed by using high-pressure liquid chromatography/electrospray ionization mass spectrometry (HPLC/ESI-MS). On the basis of m/z of [M-H]- ions and characteristic fragmentation patterns, a number of polyphenolic compounds, namely flavonoids and chlorogenic acids, were identified. It was found that the contents of the acid extract were enriched with methyl chlorogenates showing attractive biochemical properties. Analogous results were obtained for other plant materials, e.g., nectarine kernels. Apart from that, acid extraction had a minor influence on the polyphenolic compounds present in the plants, and thus it did not affect the natural antioxidant values of the plant extracts.