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Summary: This study aimed to determine the best lipid extraction method for infant formula; therefore, it can be used as a routine analysis. The samples were some commercial infant formulas in Indonesia. The research was conducted with three steps: (i) Lipid extraction of infant formula using five lipid extraction methods; (ii) 3‐monochloropropanediol esters (3‐MCPDE) and glycidyl esters (GE) analysis of lipid extract from three lipid extraction methods in the first step; and (iii) 3‐MCPDE and GE analysis of six commercial infant formulas using the best lipid extraction method. The results showed that lipid extraction using the Dubois method gave the best results than other lipid extraction methods. The level of 3‐MCPDE and GE also had no significant difference with the addition of NaCl in the Folch method, compared with the addition of Na2SO4. The level of 3‐MCPDE and GE using the Dubois method was significantly different and higher compared with the other lipid extraction methods. 3‐MCPDE and GE levels of commercial infant formula were 6.62–52.84 µg kg−1 and <1.43–17.06 µg kg−1, respectively. The values obtained were still within the standard according to Commission Regulation EU 2018/290 by the European Food Safety Authority (125 µg kg−1 for 3‐MCPDE (on progress) and 50 µg kg−1 for GE). [ABSTRACT FROM AUTHOR]

Wax esters play critical roles in biological systems, serving functions from energy storage to chemical signaling. Their diversity is attributed to variations in alcohol and acyl chains, including their length, branching, and the stereochemistry of double bonds. Traditional analysis by mass spectrometry with collisional activations (CID, HCD) offers insights into acyl chain lengths and unsaturation level. Still, it falls short in pinpointing more nuanced structural features like the position of double bonds. As a solution, this study explores the application of 213-nm ultraviolet photodissociation (UVPD) for the detailed structural analysis of wax esters. It is shown that lithium adducts provide unique fragments as a result of Norrish and Norrish-Yang reactions at the ester moieties and photoinduced cleavages of double bonds. The product ions are useful for determining chain lengths and localizing double bonds. UVPD spectra of various wax esters are presented systematically, and the effect of activation time is discussed. The applicability of tandem mass spectrometry with UVPD is demonstrated for wax esters from natural sources. The UHPLC analysis of jojoba oil proves the compatibility of MS2 UVPD with the chromatography time scale, and a direct infusion is used to analyze wax esters from vernix caseosa. Data shows the potential of UVPD and its combination with CID or HCD in advancing our understanding of wax ester structures. [ABSTRACT FROM AUTHOR]

The 3-monochloropropane-1,2-diol (3-MCPD) and 3-MCPD esters were found in any type of refined vegetable oil -mostly produced during the refining process- and recognized as emerging food contaminants. Several analytical methods have been developed and one of which was a Weißhaar's method. The study aims to validate the modified Weißhaar's method for analysis of 3-MCPD and 3-MCPD esters in refined palm oil. Ion fragments were used for identification and quantification of 3-MCPD and 3-MCPD-d5. 3-MCPD was determined by GC-MS after released from its ester by transesterification with sodium methoxide and derivatized with phenylboronic acid. The validation showed that liniarity response (r=0.994) was observed from a linear regression by using external standard and internal standard at a concentration range of 0.008 and 0.377 µg mL-1. The LOD of the validated method was 0.06 µg g-1 while its LOQ was 0.20 µg g-1, precision (relative standard deviation, RSD) was 6.16%, and accuracy (as percentage of recovery) was in the range of 95.83-113.27%. This results indicated that the modified method was valuable and sensitive for detection of 3-MCPD and 3-MCPD esters. Using the validated method, 3-MCPD esters content of a commercial palm oil sample was determined and calculated as the difference between total 3-MCPD and free 3-MCPD, which was 13.24 µg g-1. Total 3-MCPD content of several palm oils were at a concentration range of 13.94-34.52 µg g-1. These results also showed that there was a correlation between 3-MCPD with diacylglyceride (DAG). Samples with DAG content gave a high test results of 3-MCPD with a coefficient of correlation of r=0.752.

There are numerous species in the Erwiniaceae family that are important for agricultural and clinical purposes. Here we described the Erwiniaceae bacterium PD-1 isolated from mushroom (Pleurotus eryngii) compost. Comparative genomic and phylogenetic analyses showed that the strain PD-1 was assigned to a new genus and species, Paramixta manurensis gen. nov., sp. nov. in the family Erwiniaceae. From the average amino acid index, we identified the five AroBEKAC proteins in the shikimate pathway as a minimal set of molecular markers to reconstruct the phylogenetic tree of the Erwiniaceae species. The strain PD-1 containing annotated genes for ubiquinone and menaquinone produced a higher level of ubiquinone (Q8) than demethylmenaquinone (DMK8) and menaquinone (MK8) in anaerobic condition compared to aerobic condition, as similarly did the reference strains from the genera Mixta and Erwinia. Results from fatty acid methyl ester and numerical analyses of strain PD-1 showed a similarity to species of the genera Mixta and Winslowiella. This study revealed that the strain's ability to utilize polyols, such as glycerol, erythritol, and d-arabitol, distinguished the strain PD-1 from the nearest relative and other type strains. The analyzed genetic markers and biochemical properties of the strain PD-1 suggest its potential role in the process of mushroom compost through the degradation of carbohydrates and polysaccharides derived from fungi and plants. Additionally, it can produce a high concentration of indole-3-acetic acid as a plant growth-promoting agent. [ABSTRACT FROM AUTHOR]

Background: Thalictrum foliolosum, a member of the Ranunculus family, is recognized for its therapeutic potential in addressing gastric issues, dyspepsia, tooth pain, abdominal colic pain, and piles. The diverse array of secondary metabolites present in the plant contributes to these therapeutic applications. This study aims to uncover and quantify the bioactive secondary metabolites found in the unexplored leaves, stems, and roots of T. foliolosum. Additionally, we also aimed to evaluate the antibacterial activity and MIC values of these extracts against a panel of pathogenic bacteria, such as pathogenic strains, including Escherichia coli, Pseudomonas aeruginosa, Streptococcus mutant and Staphylococcus aureus. Result: HPLC analysis suggested all examined compounds were found significantly more in root parts of plant. To determine the potential antimicrobial activity of different plant parts result suggested chloroform fraction of root most effective with variable potency against each examined pathogen at 25–100 µg/ml extracts which indicated rich content of berberine in this fraction. Minimum MIC (121.26 µg/mL) of the chloroform fraction of the root was also supported the results. Fatty acid methyl ester analysis by gas chromatography revealed that the stem contained high levels of fatty acids, such as palmitic acid, stearic acid, and linolenic acid, all of which have antibacterial properties. Conclusion: The potential antimicrobial activity of extracts of various plant parts strongly supports the T. foliolosum plant's widespread use in folk medicine for the treatment of various chronic diseases and adulterants with various associated medicinal plant species. [ABSTRACT FROM AUTHOR]

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The affinity interactions between boronic acids and sugars have been successfully exploited in many fields, such as the sensing of saccharides, selective enrichment of glycoconjugates, and drug delivery. However, despite multiple techniques having been adopted to investigate the reaction of boronate affinity, the pathway of boronate esters formation under aqueous conditions remains controversial. We report a MALDI-MS approach to investigate the interactions between phenylboronic acid and monosaccharides in neutral aqueous solution by using polylevodopa as an innovative substrate instead of conventional matrix. A series of unusual tri-benzeneboronic esters were then revealed. The mass spectrometry data indicate that they bear a dibenzenepyroboronate cyclic ester moiety with seven-membered ring or eight-membered ring. With the aid of theoretical computations, their most likely geometrical structures are elucidated, and these tri-benzeneboronic esters are proposed to be formed via a boroxine binding monosaccharide pathway. This work provides more insight into the mechanism of boronate affinity interaction between boronic acid and sugars and proves the developed MALDI-MS approach is promising for studying interactions between small molecules. [ABSTRACT FROM AUTHOR]

Polyunsaturated fatty acids (PUFAs), such as arachidonic acid (ARA), eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA), play an important role in the nutritional value of milk lipids. However, a comprehensive analysis of PUFAs and their esters in milk is still scarce. In this study, we developed a novel pseudotargeted lipidomics approach, named SpecLipIDA, for determining PUFA lipids in milk. Triglycerides (TGs) and phospholipids (PLs) were separated using NH2 cartridges, and mass spectrometry data in the information-dependent acquisition (IDA) mode were preprocessed by MS-DIAL, leading to improved identification in subsequent targeted analysis. The target matching algorithm, based on specific lipid cleavage patterns, demonstrated enhanced identification of PUFA lipids compared to the lipid annotations provided by MS-DIAL and GNPS. The approach was applied to identify PUFA lipids in various milk samples, resulting in the detection of a total of 115 PUFA lipids. The results revealed distinct differences in PUFA lipids among different samples, with 44 PUFA lipids significantly contributing to these differences. Our study indicated that SpecLipIDA is an efficient method for rapidly and specifically screening PUFA lipids. [ABSTRACT FROM AUTHOR]

The Acer truncatum Bunge, widely distributed in North China, shows excellent tolerance to low-P soils. However, little information is available on potential phosphate-solubilizing bacterial (PSB) strains from the A. truncatum rhizosphere. The objectives of this work were to isolate and characterize PSB from A. truncatum rhizosphere soil and to evaluate the effect of inoculation with the selected strain on A. truncatum seedlings. The strains were characterized on the basis of phenotypic characteristics, carbon source utilization pattern, fatty acid methyl esters analysis, 16S rRNA gene and the whole-genome sequence. A Gram-negative and rod-shaped bacterium, designated MQR6T, showed a high capacity to solubilize phosphate and produce indole-3-acetic acid (IAA) and siderophores. The strain can solubilize tricalcium phosphate (TCP) and rock phosphate (RP), and the solubilization of TCP was about 60% more effective than RP. Phylogenetic analyses based on the 16S rRNA gene and whole-genome sequences revealed that strain MQR6T formed a distinct phyletic lineage as a new species within the genus Pantoea. The digital DNA-DNA hybridization value between strain MQR6T and the closely related strains was 19.5-23.3%. The major cellular fatty acids were summed feature 3 (C16:1w7c and/or C16:1w6c), summed feature 8 (C18:1w6c and/or C18:1w7c), C14:0, C16:0, and C17:0 cyclo. Several genes related to IAA production, phosphonate transport, phosphate solubilization and siderophore biogenesis were found in the MQR6T genome. Furthermore, inoculation with the strain MQR6T significantly improved plant height, trunk diameter, dry weight and P accumulation in roots and shoot of A. truncatum seedlings compared to non-inoculated control. These plant parameters were improved even further in the treatment with both inoculation and P fertilization. Our results suggested that MQR6T represented a new species we named Pantoea rhizosphaerae, as a plant growth-promoting rhizobacterium that can solubilize inorganic P and improve growth of A. truncatum seedlings, emerging as a potential strategy to improve A. truncatum cultivation. [ABSTRACT FROM AUTHOR]

The argan tree is an endemic plant of Morocco that plays a great socio-economical and ecological impact in the south of the country. This plant is well known for the oil extracted from the almond, characterized by high nutritional value and its large spectrum of uses. This study aims to evaluate the chemical composition and the physicochemical parameters of fixed oils produced by the argan trees introduced in Oujda City and to compare them with other oils produced by the same trees in their natural biotope in the northeast and southwest of Morocco. The obtained results indicated that the oil yield varies between 57.65% and 47.60%. The investigation of the chemical composition using HPLC-DAD showed the presence of three types of tocopherols: α-tocopherols (9.7%), δ-tocopherols (6.6%), and γ-tocopherols (83.6%), the total content of tocopherols vary between 323.86 and 553.12 mg/kg. While, the methyl esters analysis using GC-MS showed the presence of 4 main fatty acids: oleic acid (55.40–41.14%), linoleic acid (36.92–26.75%), palmitic acid (18.69–9.97%) and stearic acid (12.09–3.68). The physicochemical parameters (the free acidity, the peroxide value, and the specific extinction) indicated that the different tested oils are characterized by a good oil quality according to the Moroccan standard concerning argan oil (NM 08.5.090). The obtained results indicated that the introduced argan in Oujda City showed a quality and a chemical composition that was comparable to that produced in the natural area of the argan tree, which shows the plasticity the plant under different climatic and edaphic conditions. These results emphasize the encouragement of the introduction of this species at a high level in eastern Morocco. [ABSTRACT FROM AUTHOR]

For the aroma enhancement research of heated cigarettes, it is worth exploring whether tobacco can be pyrolyzed into pyrolysis liquids containing a large number of volatile aroma components. In this study, tobacco pyrolysis liquids were prepared in subcritical/supercritical ethanol, and their applications in the aroma enhancement of heated cigarettes were investigated. The optimal conditions of supercritical liquefaction reactions were determined by optimizing the reaction time, liquid/solid mass ratio and temperature conditions. Moreover, the effect of supercritical liquefaction conditions on volatile aroma components in tobacco pyrolysis liquids was investigated by GC-MS. The results indicated that the reaction temperature had the most significant impact on the tobacco pyrolysis reaction, and higher reaction temperature promoted the pyrolysis conversion of tobacco, resulting in enhanced tobacco conversion and a high content of volatile components in the tobacco pyrolysis liquid. The optimal reaction conditions for the preparation of tobacco pyrolysis liquid were found to be a temperature of 220°C, a liquid/solid mass ratio = 15, and a 2-h reaction time. Meanwhile, the content of ester compounds and nicotine in the tobacco pyrolysis liquid increased significantly with the increase of reaction temperature. Sub/ supercritical ethanol treatment significantly destroyed the surface structure of tobacco, and the degree of tobacco depolymerization increased when temperature rised. The analysis of aroma compounds in the smoke of heated cigarettes indicated that the tobacco pyrolysis liquid could significantly increase the release of aromatic substances and has a significant aroma-enhancing effect. This article proposed and prepared tobacco pyrolysis liquid in subcritical/supercritical ethanol and explored its potential application in the aroma enhancement of heated cigarettes, offering a new route for flavor enhancement technology for this type of product. [ABSTRACT FROM AUTHOR]

Specific features of chromatographic determination of xanthophyll esters are studied using an example of marigold flower lutein diesters under reversed-phase HPLC conditions. The developed two-column method made it possible to establish that, in samples with a low solubility of carotenoids in the used solvent and on a chromatography column in using a mobile phase with a low solubility of carotenoids, the precipitation of diesters is possible, which detrimentally affects the accuracy of the chromatographic determination. A critical factor in this case isì temperature: the storage of samples (solutions) in a refrigerator is not always advisable, because freezing of the main components is possible. It was shown that the use of a mobile phase containing from 0 to 10 vol % acetonitrile in acetone at a temperature not lower than 20°C is acceptable for the separation of all-trans-lutein diesters from cis-derivatives of lutein and zeaxanthin derivatives on 'monomeric' C18-phases., Author(s): V. I. Deineka [sup.1] , T. G. Burzhinskaya [sup.1] , I. P. Blinova [sup.1] , L. A. Deineka [sup.1] Author Affiliations: (1) grid.445984.0, 0000 0001 2224 0652, Institute of [...]

Di-n-butyl phthalate (DBP) is one of the most extensively used phthalic acid esters (PAEs) and is considered to be an emerging, globally concerning pollutant. The genus Streptomyces holds promise as a degrader of various organic pollutants, but PAE biodegradation mechanisms by Streptomyces species remain unsolved. In this study, a novel PAE-degrading Streptomyces sp. FZ201 isolated from natural habitats efficiently degraded various PAEs. FZ201 had strong resilience against DBP and exhibited immediate degradation, with kinetics adhering to a first-order model. The comprehensive biodegradation of DBP involves de-esterification, β -oxidation, trans-esterification, and aromatic ring cleavage. FZ201 contains numerous catabolic genes that potentially facilitate PAE biodegradation. The DBP metabolic pathway was reconstructed by genome annotation and intermediate identification. Streptomyces species have an open pangenome with substantial genome expansion events during the evolutionary process, enabling extensive genetic diversity and highly plastic genomes within the Streptomyces genus. FZ201 had a diverse array of highly expressed genes associated with the degradation of PAEs, potentially contributing significantly to its adaptive advantage and efficiency of PAE degradation. Thus, FZ201 is a promising candidate for remediating highly PAE-contaminated environments. These findings enhance our preliminary understanding of the molecular mechanisms employed by Streptomyces for the removal of PAEs. [Display omitted] • The novel PAE degrader strain FZ201 was isolated from the root surface of wild rice. • Streptomyces sp. FZ201 harbours redundant genes involved in the biodegradation of PAEs. • The integration of enzymes suggested a composite catabolic network in FZ201. • Streptomyces species harbour various PHX genes that are responsible for PAE degradation. • Pangenome analysis revealed a highly plastic genome within the Streptomyces genus. [ABSTRACT FROM AUTHOR]

Background: Cancer-associated fibroblasts (CAFs) coordinate the malignancy of cancer cells via secretory materials. Reprogrammed lipid metabolism and signaling play critical roles in cancer biology. Oleic acid (OA) serves as a source of energy under glucose-deficient conditions, but its function in cancer progression remains unclear. The present study investigated that CAFs in xenografted tumors had higher amounts of fatty acids, particularly OA, compared to normal fibroblasts, and promoted the cancer cell stemness in lung adenocarcinoma cells under glucose-deficient condition. Methods: Xenografts were established in immunodeficient mice by injection of NCI-H460 (H460) cells. Lipids and fatty acids were evaluated using the BODIPY staining and fatty-acid methyl esters analysis. The expression levels of markers for lipid metabolism and cancer stemness were determined by western blot, flow cytometry, and real-time PCR. Cancer cell subclones against stearoyl-CoA desaturase (SCD) were produced by lentiviral vector and CRISPR/cas9 systems. The expression of SCD was examined immunochemically in human adenocarcinoma tissues, and its clinical relevance to survival rate in lung adenocarcinoma patients was assessed by Kaplan–Meier analysis. Results: Transferred CAF-derived OA through lipid transporter upregulated SCD in cancer cells under glucose-deficient conditions, resulting in enhanced lipid metabolism and autophagosome maturation. By OA treatment under glucose deficient condition, cancer cell stemness was significantly enhanced through sequential activation of SCD, F-actin polymerization and nuclear translocation of yes-associated protein. These findings were confirmed by experiments using chemical inhibitors, SCD-overexpressing cells and SCD-knockout (KO) cells. When xenografted, SCD-overexpressing cells produced larger tumors compared with parental cells, while SCD-KO cells generated much smaller tumors. Analysis of tumor tissue microarray from lung adenocarcinoma patients revealed that SCD expression was the marker for poor prognosis involving tumor grade, clinical stage and survival rate. Conclusion: Our data indicate that CAFs-derived OA activated lipid metabolism in lung adenocarcinoma cells under glucose-deficient conditions, subsequently enhancing stemness and progression toward malignancy. [ABSTRACT FROM AUTHOR]

Carotenoids possessing hydroxyl groups can be found in nature both as free xanthophylls and as carotenoid esters, i.e. acylated with fatty acids. A single carotenoid can be acylated with different fatty acids, resulting in a high number of possible structures of carotenoid esters. The analysis of carotenoid esters can be challenging; although extraction techniques are essentially the same as those used for free carotenoids, depending on the sample composition, interfering compounds such as triacylglycerides are also present in the extract in significant amounts to cause high background noise and ionization suppression in mass spectrometric analysis. Besides analysis of UV-visible spectrum features, identification of carotenoid esters must include tandem mass spectrometry (MS n ) because no changes in the carotenoid molecule chromophore occur due to acylation with fatty acids. Although carotenoid esters are widespread found in foods, especially in fruits, and their bioavailability is equivalent or even higher than that of the free carotenoid, occurrence of xanthophyll esters is very limited in human plasma and tissues. Challenges and further investigations needed on the topics above are given in this review., (Copyright © 2018 Elsevier Inc. All rights reserved.)

Ulungur Lake is the largest lake in northern Xinjiang and undertakes important aquatic tasks. It is the No. 1 fishing ground in northern Xinjiang, and the problem of persistent organic pollution in the water has received much attention. However, there are few studies on phthalate esters (PAEs) in the water of Ulungur Lake. Understanding the pollution levels, distribution characteristics and sources of PAEs is of great significance for the protection and prevention of water. Fifteen sampling sites are established in Ulungur Lake to collect water samples during flood and dry periods, then seventeen PAEs are extracted from the water samples and purified by liquid–liquid extraction—solid-phase purification. Gas chromatography–mass spectrometry is used to detect the pollution levels and distribution characteristics of the 17 PAEs and analyse their sources. Results show that the concentrations of PAEs in the dry and flood periods are 0.451–9.97 µg/L and 0.0490–6.38 µg/L, respectively. The concentration of ∑PAEs with time is characterised by the dry period > the flood period. The change in flow is the main reason for the diverse concentration distributions of PAEs in different periods. The concentration of ΣPAEs in the dry period is much lower on the side near the lake entrance of the Ulungur River and Irtysh River. In the dry period, PAEs mainly come from chemical production and the use of cosmetics and personal care products; in the flood period, they mainly come from chemical production. River input and atmospheric sedimentation are the main sources of PAEs in the lake. [ABSTRACT FROM AUTHOR]

BACKGROUND: Phthalates have been reported to impair fertility in various studies. However, evidence exploring the associations between phthalate metabolites in follicular fluid (FF) and reproductive outcomes is lacking. OBJECTIVES: To investigate the associations between phthalate metabolite concentrations in FF and in vitro fertilization/intracytoplasmic sperm injection (IVF/ICSI) outcomes among women recruited from a fertility clinic. METHODS: We included 641 women undergoing IVF/ICSI treatment from December 2018 to January 2020. The levels of eight phthalate metabolites, including monoethyl phthalate (MEP), mono-isobutyl phthalate (MiBP), mono-n- butyl phthalate (MBP), monobenzyl phthalate (MBzP), mono(2ethylhexyl) phthalate (MEHP), mono(2-ethyl-5-hydroxyhexyl) phthalate (MEHHP), mono(2-ethyl- 5-oxohexyl) phthalate (MEOHP), and mono(2ethyl-5-carboxypentyl) phthalate (MECPP), were quantified in FF collected on the oocyte retrieval day. Associations between quartiles of individual phthalate metabolite concentrations and nine IVF/ICSI outcomes, including oocyte yield, mature oocyte number, two distinct pronuclei (2PN) zygote number, fertilization rate, blastocyst formation rate, implantation, clinical pregnancy, miscarriage, and live birth, were estimated with generalized linear models. The effects of phthalate mixtures on IVF/ICSI outcomes were assessed using Bayesian kernel machine regression (BKMR) models. RESULTS: After adjusting for relevant confounders, elevated quartiles of MBzP, MEHHP, and MEHP in FF were inversely associated with the numbers of retrieved oocytes, mature oocytes, and 2PN zygotes (all p for trends DISCUSSION: Certain phthalate metabolites in FF are inversely associated with the numbers of retrieved oocytes, mature oocytes, and 2PN zygotes among women undergoing IVF/ICSI treatment. https://doi.org/10.1289/EHP11998, Introduction Infertility, defined as inability to achieve conception after 1 y of unprotected intercourse, has emerged as a prominent global concern, impacting ~15% of couples and exhibiting a consistent growth [...]

A new hybrid solid-phase microextraction coating, [Ba(5,5ʹ-dcbipy)(µ-H2O)2 (H2O)2]n and polypyrrole, has been prepared using an electrochemical method. The fibre was well characterised and showed superior properties. The fibre showed excellent thermal stability, adherently and chemical stability which were suitable for extracting analytes from harsh media and desorbing them in a high thermal inlet of a GC. Four phthalate esters were extracted with this fibre and then analysed via GC-flame ionisation detector. Salt concentration, temperature and time of extraction were optimised. The detection limits and linear ranges were 0.077–0.25 μg L−1 and 0.125–500 to 0.25–125 μg L−1, respectively. The intra-day and inter-day relative standard deviations were found to be 6.9–9.4 and 2.9–23.4%, respectively. The results then were compared with other works. Phthalates in two different aqueous samples of food products were successfully analysed with the proposed method. [ABSTRACT FROM AUTHOR]

The prevalence of organophosphate esters (OPEs) in the global environment is increasing, which aligns with the decline in the usage of polybrominated diphenyl ethers (PBDEs). PBDEs, a category of flame retardants, were banned and classified as persistent organic pollutants (POPs) through the Stockholm Convention due to their toxic and persistent properties. Despite a lack of comprehensive understanding of their ecological and health consequences, OPEs were adopted as replacements for PBDEs. This research aims to offer a comparative assessment of PBDEs and OPEs in various domains, specifically focusing on their persistence, bioaccumulation, and toxicity (PBT) properties. This study explored physicochemical properties (such as molecular weight, octanol-water partition coefficient, octanol-air partition coefficient, Henry's law constant, and vapor pressures), environmental behaviors, global concentrations in environmental matrices (air, water, and soil), toxicities, bioaccumulation, and trophic transfer mechanisms of both groups of compounds. Based on the comparison and analysis of environmental and toxicological data, we evaluate whether OPEs represent another instance of regrettable substitution and global contamination as much as PBDEs. Our findings indicate that the physical and chemical characteristics, environmental behaviors, and global concentrations of PBDEs and OPEs, are similar and overlap in many instances. Notably, OPE concentrations have even surged by orders of several magnitude compared to PBDEs in certain pristine regions like the Arctic and Antarctic, implying long-range transport. In many instances, air and water concentrations of OPEs have been increased than PBDEs. While the bioaccumulation factors (BAFs) of PBDEs (ranging from 4.8 to 7.5) are slightly elevated compared to OPEs (−0.5 to 5.36) in aquatic environments, both groups of compounds exhibit BAF values beyond the threshold of 5000 L/kg (log10 BAF > 3.7). Similarly, the trophic magnification factors (TMFs) for PBDEs (ranging from 0.39 to 4.44) slightly surpass those for OPEs (ranging from 1.06 to 3.5) in all cases. Metabolic biotransformation rates (Log K M) and hydrophobicity are potentially major factors deciding their trophic magnification potential. However, many compounds of PBDEs and OPEs show TMF values higher than 1, indicating biomagnification potential. Collectively, all data suggest that PBDEs and OPEs have the potential to bioaccumulate and transfer through the food chain. OPEs and PBDEs present a myriad of toxicity endpoints, with notable overlaps encompassing reproductive issues, oxidative stress, developmental defects, liver dysfunction, DNA damage, neurological toxicity, reproductive anomalies, carcinogenic effects, and behavior changes. Based on our investigation and comparative analysis, we conclude that substituting PBDEs with OPEs is regrettable based on PBT properties, underscoring the urgency for policy reforms and effective management strategies. Addressing this predicament before an exacerbation of global contamination is imperative. [Display omitted] • Widespread use of OPEs raises concern as alternatives to PBDEs. • This study analyzes extensive PBDE and OPE datasets based on PBT properties. • PBDEs and OPEs share many similar environmental and hazardous properties. • Replacing PBDEs with OPEs is a regrettable substitution considering PBT properties. [ABSTRACT FROM AUTHOR]

Esters are one of the most used ingredients to transform and revolutionize texture features and, the market is constantly searching for more groundbreaking and environmentally friendly opportunities. Looking ahead, modern trends of ethereal and clean beauty are requiring formulas in line with the expectations of health conscious consumers. The paper aims at presenting a range of emollient agents rooted in the wisdom of nature: where food by-products and renewable sources are involved to create high performing cosmetic raw materials through different Mediterranean-based supply chains. [ABSTRACT FROM AUTHOR]

Polythionine was prepared by a simple electrochemical method and used as solid-phase microextraction coating for headspace extraction and analysis of four phthalate esters (dioctyl phthalate, benzyl butyl phthalate, di-n-butyl phthalate, and di-iso-butyl phthalate) by gas chromatographic-flame ionization detector. The thionine polymerization was performed at pH of 9 on a Pt wire. Made ready coating displayed a good thermal stability (up to 280 °C). The effects of three extraction parameters, containing salt effect, temperature and extraction time, on the extraction efficiencies of phthalate esters were evaluated. Under the optimized conditions, limits of detection were among 0.34–1.67 µg L−1. The inter-day and intra-day deviations of relative standard, attained at 50 µg L−1, were 7.64–10.62% and 10.14–12.84%, respectively. The method capability for analysis of the phthalates in real samples of cheese water and wastewater was evaluated and relative recoveries were between 82.63 and 119.50%. [ABSTRACT FROM AUTHOR]

Diabetes mellitus, a progressive chronic disease, characterized by the abnormal carbohydrate metabolism is associated with severe health complications including long term dysfunction or failure of several organs, cardiovascular and micro-angiopathic problems (neuropathy, nephropathy, retinopathy). Despite the existence of diverse chemical structural libraries of α -glucosidase inhibitors, the limited diabetic treatment due to the adverse side effects such as abdominal distention, flatulence, diarrhoea, and liver damage associated with these inhibitors encourage the medicinal research community to design and develop new and potent inhibitors of α -glucosidase with better pharmacokinetic properties. In this perspective, we demonstrate the successful integration of common functional groups (ketone & ester) in one combined pharmacophore which is favorable for the formation of hydrogen bonds and other weaker interactions with the target proteins. These keto ester derivatives were screened for their α -glucosidase inhibition potential and the in vitro results revealed compound 3c as the highly active inhibitor with an IC 50 value of 12.4 ± 0.16 μM compared to acarbose (IC 50 = 942 ± 0.74 μM). This inhibition potency was ~76-fold higher than acarbose. Other potent compounds were 3f (IC 50 = 28.0 ± 0.28 μM), 3h (IC 50 = 33.9 ± 0.09 μM), 3g (IC 50 = 34.1 ± 0.04 μM), and 3d (IC 50 = 76.5 ± 2.0 μM). In addition, the emerging use of carbonic anhydrase inhibitors for the treatment of diabetic retinopathy (a leading cause of vision loss) prompted us to screen the keto ester derivatives for the inhibition of carbonic anhydrase-II. Compound 3b was found significantly active against carbonic anhydrase-II with an IC 50 of 16.5 ± 0.92 μM (acetazolamide; IC 50 = 18.2 ± 1.23 μM). Compound 3a also exhibited comparable potency with an IC 50 value of 18.9 ± 1.08 μM. Several structure-activity relationship analyses depicted the influence of the substitution pattern on both the aromatic rings. Molecular docking analysis revealed the formation of several H-bonding interactions through the ester carbonyl and the nitro oxygens of 3c with the side chains of His348, Arg212 and His279 in the active pocket of α -glucosidase whereas 3b interacted with His95, -OH of Thr197, Thr198 and WAT462 in the active site of carbonic anhydrase-II. Furthermore, evaluation of ADME properties suggests the safer pharmacological profile of the tested derivatives. The present study investigates the dual inhibitory potential of a series of keto ester derivatives against α -glucosidase and carbonic anhydrase-II enzymes. Unlabelled Image • New structural libraries of compounds were prepared to treat diabetes mellitus and diabetic retinopathy. • Keto esters 3a–m were investigated as potent inhibitors of α -glucosidase and carbonic anhydrase-II enzymes. • Compound 3c was identified as the most potent inhibitor of α -glucosidase enzyme. • Compound 3b inhibited the carbonic anhydrase-II with an IC 50 of 16.5 ± 0.92 μM. • Molecular docking, enzyme kinetics, and detailed ADMET properties were also investigated. [ABSTRACT FROM AUTHOR]

Aims: This study aims to synthesize, characterize and apply gold–silver core–shell nanoparticles (Au@Ag NPs), a nanocatalyst, to maximize biodiesel production from fungal isolate Fusarium solani (FS12) via a transesterification one‐step reaction. Methods and Results: The Au@Ag NPs structure was examined by UV‐vis spectrophotometer, transmission electron microscopy, X‐ray diffraction and Fourier transform infrared (FTIR). All devices were used to characterize Au@Ag NPs and confirmed successful synthesis of nanoparticles. Fungal lipid was quantitatively determined by sulfo‐phospho‐vanillin colorimetric method. Among 15 F. solani isolates obtained from rhizospheric soils of the date palm, F. solani (AF12) was chosen as the highly significant producer that accumulates above 20% lipid. The maximum biodiesel yield was 91.28 ± 0.19%, obtained under the optimum reaction conditions of 3% Au@Ag NPs as nanocatalyst concentration, and 1:20 oil to methanol molar ratio at 70℃ for 30 min. HPLC method was applied for monitoring in situ transesterification reaction. FTIR spectroscopy was used in qualitative analysis of biodiesel by verifying the presence of unique characteristic peaks of diagnostic significance. The quality of the biodiesel produced was confirmed by the high purity of fatty acid methyl esters analysis content up to >99%. Conclusions: These findings propose the applicability of F. solani (FS12) as a promising isolate to accumulate lipids and biodiesel production as a feedstock. Significance and Impact of the Study: The link between nanotechnology and fungi. Au@Ag NPs were synthesized at room temperature, which displayed high catalytic activity for in situ transesterification reaction. Catalytic activity appeared at low temperature, mole ratio and short reaction time. Oleaginous fungi are described as easily grown, have short life cycle, are cost‐effective, and they utilized various sources of carbon up to waste and a simplified process to develop scale‐up production as well, economic value, opposite the usage of vegetable oils which need for large agricultural areas. [ABSTRACT FROM AUTHOR]

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For the determination of trace amounts of phthalic acid esters (PAEs) in complex seawater matrix, a stir bar sorptive extraction gas chromatography mass spectrometry (SBSE-GC-MS) method was established. Dimethyl phthalate (DMP), diethyl phthalate (DEP), dibutyl phthalate (DBP), butyl benzyl phthalate (BBP), dibutyl phthalate (2-ethylhexyl) phthalate (DEHP) and dioctyl phthalate (DOP) were selected as study objects. The effects of extraction time, amount of methanol, amount of sodium chloride, desorption time and desorption solvent were optimized. The method of SBSE-GC-MS was validated through recoveries and relative standard deviation. The optimal extraction time was 2 h. The optimal methanol content was 10%. The optimal sodium chloride content was 5% . The optimal desorption time was 50 min. The optimal desorption solvent was the mixture of methanol to acetonitrile (4:1, volume: volume). The linear relationship between the peak area and the concentration of PAEs was relevant. The correlation coefficients were greater than 0.997. The detection limits were between 0.25 and 174.42 ng x L(-1). The recoveries of different concentrations were between 56.97% and 124.22% . The relative standard deviations were between 0.41% and 14.39%. On the basis of the method, several estuaries water sample of Jiaozhou Bay were detected. DEP was detected in all samples, and the concentration of BBP, DEHP and DOP were much higher than the rest.

Hop-derived esters contribute to beer flavor and changes in the ester spectrum are believed to be an important driver in the flavor–instability of hoppy beers. To date, there exists no published method that enables reliable quantification of hop-derived esters in beer. As the availability of such a method is vital to enlarge the understanding of beer flavor stability, the current article is concerned with the development, validation, and application of a headspace solid phase microextraction gas chromatography selected ion monitoring mass spectrometry (HS-SPME-GC-SIM-MS) based methodology for quantification of 16 hop-derived esters in beer. The validation data shows that choosing suitable HS-SPME-GC-SIM-MS conditions enabled reliable quantification of esters across a range of 1–200 µg/L, with calculated limits of quantification being well below 1 µg/L. Spiking experiments using terpenes and terpenoids evidenced method robustness, most importantly when two commercially available stable isotope labeled internal standards (d6-geranyl acetate and 13C-methyl octanoate) were used. Application to beer samples indicated that beers brewed with different qualities/quantities of hops and differing in freshness could be well differentiated by HS-SPME-GC-SIM-MS analysis of their ester profile. Supplemental data for this article is available online at at https://doi.org/10.1080/03610470.2021.1994814. [ABSTRACT FROM AUTHOR]

A new analytical procedure for rapid and selective derivatization of rosuvastatin directly in plasma into their corresponding methyl esters was developed for gas chromatography-mass spectrometry analysis. This work is the first method of selective derivatization of the carboxyl group from rosuvastatin to methyl ester. The lipids from plasma were extracted with heptane before derivatization. The methyl esters were obtained by reaction with methyl iodide in solution of dimethyl sulfoxide and in the presence of anhydrous potassium carbonate. The optimal conditions for selective methylation have been established. The derivatization was carried out in 2 min. The method was validated for the analysis of rosuvastatin in plasma. The methyl ester of rosuvastatin was identified by electron ionization mass spectrometry. The electron ionization mass spectrometer detector response was linear up to 300 ng/mL. The limit of detection and limit of quantification values in total ion chromatogram method were 0.4 ng/mL and 1.2 ng/mL, respectively. [ABSTRACT FROM AUTHOR]

We studied the interaction of acyl derivatives of carbocyclic alcohols of steroid structure with nitrogenous bases in the ion source of a 'direct analysis in real time' (DART) mass spectrometer. The protonation of esters in the DART plasma is accompanied by the elimination of a corresponding acid (acyl derivatives of cholesterol, [beta]-sitosterol, and estradiol), interaction of the formed cation with a nitrogenous base to yield a derivative with a bound charge. This effect was not observed for cortisone acetate and betamethasone dipropionate, which is consistent with the absence of ions of deacyl derivatives in their DART mass spectra., Author(s): S. V. Goriainov [sup.1] [sup.2], C. Esparza [sup.2], D. I. Zhilyaev [sup.1] [sup.2], N. Yu. Polovkov [sup.1], R. S. Borisov [sup.1] [sup.2], V. G. Zaikin [sup.1] Author Affiliations: (1) [...]