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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]

Piscine lactococcosis is a significant threat to cultured and wild fish populations worldwide. The disease typically presents as a per-acute to acute hemorrhagic septicemia causing high morbidity and mortality, recalcitrant to antimicrobial treatment or management interventions. Historically, the disease was attributed to the gram-positive pathogen Lactococcus garvieae. However, recent work has revealed three distinct lactococcosis-causing bacteria (LCB)--L. garvieae, L. petauri, and L. formosensis--which are phenotypically and genetically similar, leading to widespread misidentification. An update on our understanding of lactococcosis and improved methods for identification are urgently needed. To this end, we used representative isolates from each of the three LCB species to compare currently available and recently developed molecular and phenotypic typing assays, including whole-genome sequencing (WGS), end-point and quantitative PCR (qPCR) assays, matrix-assisted laser desorption/ionization timeofflight mass spectrometry (MALDI-TOF MS), API 20 Strep and Biolog systems, fatty acid methyl ester analysis (FAME), and Sensititre antimicrobial profiling. Apart from WGS, sequencing of the gyrB gene was the only method capable of consistent and accurate identification to the species and strain level. A qPCR assay based on a putative glycosyltransferase gene was also able to distinguish L. petauri from L. garvieae/formosensis. Biochemical tests and MALDI-TOF MS showed some speciesspecific patterns in sugar and fatty acid metabolism or protein profiles but should be complemented by additional analyses. The LCB demonstrated overlap in host and geographic range, but there were relevant differences in host specificity, regional prevalence, and antimicrobial susceptibility impacting disease treatment and prevention. [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]

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]

In this research, a poly (ionic liquid) functionalised silica-coated magnetic nanoparticles were synthesised for the first time and utilised as a novel adsorbent for the simultaneous extraction of six phthalic acid esters from polyethylene terephthalate bottled drinking water samples. The adsorbent was prepared by grafting poly (1-benzyl-3-vinyl-1 H-imidazol-3-ium chloride) onto silica-coated Fe3O4nanoparticles via Cu(0)-mediated reversible-deactivation radical polymerisation method. Various techniques were used to characterise the synthesised nanomaterials. A qualitative analysis was performed using ultra-performance liquid chromatography triple–quadrupole tandem mass spectrometry. Response surface methodology based on central composite design was used to optimise the extraction procedure and the optimised condition for each factor was; pH of3.9, 22 mg of adsorbent, 3.5 min extraction time, 3 min desorption time, 340 µL of elution solvent (methanol).The results of the validation of the method indicated its acceptable accuracy (88.6-100.1%), good linearity (r > 0.995), satisfactory repeatabilities (RSDs ≤ 6% for intra- and inter–day precisions) and high enrichment factors (535–572). The limits of detection and limits of quantification of the proposed method achieved were 1.1-4.6 ngL–1and 3.6-15.3 ngL–1, respectively. In this study, six common PAEs, including dimethyl phthalate, diethyl phthalate, dibutyl phthalate, benzyl butyl phthalate, bis (2-ethylhexyl) phthalate, and di-n–octyl phthalate, were found in PET bottled water within the range of 0.21-0.94 μgL–1, under different storage conditions. Nevertheless, only a negligible risk is caused by the PAEs in PET bottled water for consumers following the recommendations, such as storing at a common place (25°C), in a short period away from the sun. [ABSTRACT FROM AUTHOR]

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]

Background. Cyanuric acid (CK, 2,4,6-trihydroxy1,3,5-triazine) is a heterocyclic com- pound and is widely used in chemistry and industry due to its unique properties and solubility in water, its study is relevant. Purpose. Theoretical analysis of trivinyl esters of cyanuric acid (2a-4a) and trivinyl cyanurate (2b- 4b) using the DFT/defs-TZVP method. Methodology. Boundary MO analysis, ESP analyzes based on theoretical quantum chemical calcula- tions describing the interaction of vinyl esters of cyanuric acid with chlorine, density functional theory using the DFT/defs-TZVP method, energy difference and energy gap between HOMO-LUMO orbitals were used. Originality. It is shown that the introduction of chlorine into the CC structure affected the electronic properties of the molecules, including the change in the size of the energy gaps. For the compounds obtained, molecular structure, electronic properties, reactivity (NCI-RDG) and ESP analysis data were obtained. It is proved that the energy gaps observed in the HOMO-LUMO spectra for the studied substances are similar and compatible. Findings. The results of the ESP analysis showed the formation of positive л-hole potentials in the case of triketo derivatives. The presence of strong attractive and repulsive forces, as well as weak interactions in the case of trivinyl and tri-1,2-dichloroethyl derivatives of the triketo form, is shown by the NCI and RDG plots of the studied compounds. The presence of strong attractive and repulsive forces, as well as weak interactions in the case of trivinyl and tri-1,2-dichloroethyl derivatives of the triketo form, is shown by the NCI and RDG plots of the studied compounds. [ABSTRACT FROM AUTHOR]

Chickpea (Cicer arietinum L.) suffers from chilling stress at the reproductive stage (<15 °C) which leads to significant yield loss. This study presents a comprehensive plant response to drought priming and its effect on chilling tolerance during the reproductive stage in two chickpea cultivars PBG1 and PBG5. Lipidome profiling (Fatty acid methyl esters analysis), metabolome profiling (GC-MS based untargeted analysis), fatty acid desaturases and antioxidative gene expression (qRT-PCR) were analyzed to monitor physiological and biochemical events after priming during flowering, podding and seed filling stages. Drought priming alleviated membrane damage and chlorophyll degradation by increasing membrane unsaturated fatty acids (18:3) along with up-regulation of various fatty acid desaturases (CaFADs) genes and antioxidative machinery during flowering and improved seed yield in PBG5. PCA, HCA, and KEGG pathway analysis of 87 identified metabolites showed that metabolites were regulated differently in both cultivars under non-primed and primed conditions. The plant response was more apparent at flowering and podding stages which coincided with chilling temperature (<15 °C). Drought priming stimulated many important genes, especially FADs , antioxidative proteins and accumulation of key metabolites (proline and TCA intermediates) required for defense especially in PBG5. This explains that plant's response to drought priming not only depends on developmental stage, and temperature regime (<15 °C) but also on the genotypic-specificity. [Display omitted] • Drought priming during the vegetative stage can improve the plant's tolerance against chilling stress. • Priming enhances membrane unsaturation and upregulates fatty acid desaturases gene expression. • Priming improves chlorophyll pigment retention and accumulation of osmolytes. • Priming induced defense, related metabolic pathways and improved reproductive functioning. • Plant response to drought priming depends upon exposure, developmental stage, and genotype. [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]

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]

The present study aimed at assessing the mid (MPH) and better (BPH) parents heterosis, potence ratio (PR) and genetic parameters for yield, its components and fiber traits in eighteen F1 hybrids developed by crossing between six lines and three testers using line × tester mating design.Pearson correlation coefficient and principal component analysis (PCA) were used for a better understanding of the relationship during this study. The lines, testers and their F1 hybrids were evaluated in a randomized complete block design (RCBD) with three replications at Sakha Agriculture Research Station, Kafr El-Sheikh Governorate, Egypt, during the 2020 cropping season. The variances due to the sources of variation in line x tester analysis exhibited significant differences for most measured traits.The proportional contribution of line × tester was higher than the individual contribution of lines and testers for most studied traits. The lines G.90x Aus.12 and Uzbekistan as well as the tester G.97 showed superior cotton yield and most studied traits based on mean performance compared to the other parents. The hybrid combinations TNB x G. 94, (G.90x Aus.12) x G.86 and G.96 x G.94 were identified as excellent based on mean performance, MPH, BPH and PCA analysis for cotton yield and most studied traits. Potence ratio exhibited that the hybrid combinations have positive or negative nature for studied traits.Genetic parameters indicated that non-additive gene action effects had a more important role compared to the additive in controlling all the studied traits, except the number of seeds/boll trait. Significant correlation coefficients were found between all possible pairs of mean performances, MPH, BPH (positive) and PR (negative) parameters for most investigated traits. PCA can be used as a suitable method for studying the studied traits and to determine the best hybrids across line x tester analysis. Finally, and based on the results of statistical methods used in this study, the parents and hybrids above are promising enhancement and improvement of cotton productivity and its fiber quality through use in cotton breeding programs in Egypt. [ABSTRACT FROM AUTHOR]

This paper is aimed at studying the influence of conducting (Fe3O4), semi-conductive (ZnO), and insulating (ZrO2, SiO2, and Al2O3) nanoparticles (NPs) at various concentrations on the AC dielectric strength of MIDEL 7131 synthetic ester (SE) and partial discharges activity. First, a detailed and improved procedure for preparing nanofluids (NFs) in five concentrations ranging from 0.1 g/L to 0.5 g/L is presented, including high-speed agitation and ultrasonication. Then, the long-term stability is checked based on zeta potential analysis. After preparing and characterizing the NF samples, the following step is to measure their AC breakdown voltage (BDV). Due to the limitation of the high voltage supply (Baur system), the tests are performed according to IEC 60156 standard (2.5 mm gap distance) only with ZnO, ZrO2, and SiO2 NPs, and for comparison, tests are executed for all considered NPs with an electrodes gap of 2 mm. It is shown that the addition of Fe3O4 (20 nm), ZnO (25 nm), ZrO2 (20–30 nm), SiO2 (10–20 nm), Al2O3 (20–30 nm), and Al2O3 (50 nm) NPs improves the dielectric strength of synthetic ester upon an optimal concentration which gives the highest AC BDV. SiO2 (10–20 nm) and Al2O3 (20–30 nm) manifest their best improvement at 0.3 g/L, while for the other NFs, the best improvement is observed at 0.4 g/L. Further, the Anderson–Darling goodness-of-fit test is performed on the experimental data to check their conformity with the Extreme value (EV), normal, and Weibull distributions; the normal and EV fit curves are plotted and used to evaluate the breakdown voltages at probabilities of 1%, 10%, and 50%. It is shown that the AC breakdown voltage outcomes for most investigated nanofluids mostly obey the three EV, normal, and Weibull distributions. Then, the best combinations (nature of NP and optimal concentration), namely Fe3O4 (20 nm, 0.4 g/L), Al2O3 (20–30 nm, 0.3 g/L), and Al2O3 (50 nm, 0.4 g/L) NPs, that highly enhance the AC BDV of SE are chosen for a partial discharge activity investigation and comparison with pure SE. It is shown that the addition of those NPs significantly reduces the activity of partial discharges compared to pure SE. [ABSTRACT FROM AUTHOR]

Monohydroxylated polyunsaturated fatty acids belonging to the oxylipin class of natural products are present in marine and terrestrial sources as well as in the human body. Due to their biological activities and role in diverse biosynthetic pathways, oxylipins biosynthesized from eicosapentaenoic acid and arachidonic acid have attracted great interest from the scientific community. One example is 3-hydroxyeicosapentaenoic acid where the absolute configuration at C-3 has only been tentatively assigned. In this paper, studies on acetate type aldol reactions that enabled the preparation of 3-(R)-hydroxyeicosapentaenoic acid (3R-HETE, 2) and its enantiomer are presented. [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]

This study examined phthalate esters (PAEs) in pediatric enteral formula (PEF) samples in Turkey and their potential impact on consumers. Among the various types and forms of PEF sample, Type 5 had the highest total concentration of PAEs (71.52 µg/kg) for polimeric (PC) formulas, followed by Type 1 (60.33 µg/kg) for oligomeric (OC) formulas, and Type 1 (55.05 µg/kg) for monomeric (MC) formulas. However, no statistically significant differences were observed in the concentrations of PAEs among the different types of PEF samples (p > 0.05). The ranking of PEF samples based on their total PAEs levels was as follows: MC (54.94 µg/kg)> OC (54.05 µg/kg)> PC (53.32 µg/kg). DEHP, DINP, DNOP and DEP were the most abundant PAEs. Health risk assessments the carcinogenic risk associated with DEHP was determined to be at an acceptable cancer risk level (Grade: B) for all age and gender groups. Additionally, the dietary intake levels of each PAEs, including DEHP, DINP, DEP, and DBP, were found to be below the values established by the European Food Safety Authority for tolerable daily intake. Continuous monitoring and regulation are crucial to ensure PEF safety and reduce PAEs exposure risks. • Comprehensive analysis of PAEs in enteral nutrition formulas from Turkey. • Uniformity in PAE levels found in 25 sampled formulas. • Safe PAE exposures: EFSA TDIs not exceeded in the Turkish market. • Acceptable carcinogenic risk: DEHP in enteral nutrition formulas. [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]

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]

Aim: To investigate the effect of Woodfordia fruticosa extract (WfE) on two probiotic bacteria: Lacticaseibacillus casei and Lacticaseibacillus rhamnosus. Methods and results: WfE supplementation at 0·5 and 1 mg ml−1 stimulated probiotic growth (P < 0·05), enhanced adhesion to CaCO2 cells (P < 0·05) while inhibiting foodborne pathogens Escherichia coli and Staphylococcus aureus (P < 0·05). 1H‐NMR based metabolomic studies indicated higher glucose : lactate and glucose : acetate in the extracellular matrix with significant variation (P < 0·05) in intracellular concentrations of lactate, acetate, glutamate, dimethylamine, phenylalanine, branched‐chain amino acids and total cellular lipid composition. Fatty acid methyl ester analysis showed a chemical shift from saturated to unsaturated lipids with WfE supplementation. PCA plots indicated clear discrimination between test groups, highlighting variation in metabolite pool in response to WfE supplementation. Conclusion: Phytonutrient‐rich WfE exhibited prebiotic‐like attributes, and probiotic bacteria showed altered metabolite pools as an adaptive mechanism. Significance and Impact of the Study: This is the first report providing insights into the prebiotic‐like activity of WfE on gut representative probiotics. The extended metabolomic studies shed light on the positive interaction between phytonutrients and beneficial bacteria that possibly help them to adapt to a phytonutrient‐rich WfE environment. WfE with potential prebiotic attributes can be used in the development of novel synbiotic functional products targeting gut microbial modulation to improve health. [ABSTRACT FROM AUTHOR]

A hybrid numerical method is developed for failure prediction of glass fiber reinforced vinyl ester (GRV) composite cylinders subjected to fire and asymmetric transient pressure. The method is composed of layerwise theory, differential quadrature method, Fourier series expansion, and Newmark's time integration method. To achieve high‐accuracy solution, the char formation, resin decomposition, volatile convection, and temperature‐dependent material properties are considered. By comparing the developed results with the experimental and numerical results presented in the available literatures, the precision of this method is confirmed. The results reveal that although the polymeric composites are flammable, they are also strong thermal insulators compared to conventional metals, which reduces the flame spread rate from one section to another. [ABSTRACT FROM AUTHOR]

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]

We explore flexoelectro-optic effect in polymer stabilized cholesteric liquid crystals (CLC) with uniform lying helix texture. A method to enlarge the flexoelectric response of the CLC mixture is demonstrated by mixing two nematic liquid crystal host materials with large and small effective flexoelastic coefficients. By a choice of material composition of CLC mixture, a large angle of flexoelectrically driven in-plane rotation of helical axis with a submillisecond response time is obtained. Our findings will be useful for material design of future CLC mixtures for applications in flexoelectro-optic displays. [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]

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 betaproteobacterial degradation specialist Aromatoleum aromaticum EbN1T utilizes several plant-derived 3-phenylpropanoids coupled to denitrification. In vivo responsiveness of A. aromaticum EbN1T was studied by exposing nonadapted cells to distinct pulses (spanning 100μM to 0.1nM) of 3-phenylpropanoate, cinnamate, 3-(4-hydroxyphenyl)propanoate, or p-coumarate. Time-resolved, targeted transcript analyses via quantitative reverse transcription-PCR of four selected 3-phenylpropanoid genes revealed a response threshold of 30 to 50 nM for p-coumarate and 1 to 10 nM for the other three tested 3-phenylpropanoids. At these concentrations, transmembrane effector equilibration is attained by passive diffusion rather than active uptake via the ABC transporter, presumably serving the studied 3-phenylpropanoids as well as benzoate. Highly substrate-specific enzyme formation (EbA5316 to EbA5321 [EbA5316-21]) for the shared peripheral degradation pathway putatively involves the predicted TetR-type transcriptional repressor PprR. Accordingly, relative transcript abundances of ebA5316-21 are lower in succinate- and benzoate-grown wild-type cells than in an unmarked in-frame ΔpprR mutant. In trans-complementation of pprR into the ΔpprR background restored wild-type-like transcript levels. When adapted to p-coumarate, the three genotypes had relative transcript abundances similar to those of ebA5316-21 despite a significantly longer lag phase of the pprR-complemented mutant (~100-fold higher pprR transcript level than the wild type). Notably, transcript levels of ebA5316-21 were ~10- to 100-fold higher in p-coumarate-than succinate- or benzoate-adapted cells across all three genotypes. This indicates the additional involvement of an unknown transcriptional regulator. Furthermore, physiological, transcriptional, and (aromatic) acyl-coenzyme A ester intermediate analyses of the wild type and ΔpprR mutant grown with binary substrate mixtures suggest a mode of catabolite repression of superior order to PprR. [ABSTRACT FROM AUTHOR]

The current research focused on the isolation of a yeast strain possessing an enzyme complex for use in baking high quality, high cassava-wheat composite bread. Yeast isolates were obtained from soil, fruit and wine samples and screened for the ability to synthesize lipase, cellulase, xylanase, pectinase, amylase and protease. Enzyme cocktails from four selected isolates were used for baking 50/50% cassava/wheat composite bread. Quality assessment was based on the baked product that gave the highest specific volume and acceptability rating when compared to 100% wheat bread. Enzyme cocktail from isolate C18, identified as Yarrowia phangngaensis XB3 gave the best results. This strain grew well at 24ºC and was able to ferment glucose, maltose, and galactose. Fatty acid methyl ester analysis showed that oleic acid was most abundant in its cell wall. Y. phangngaensis XB3 has the potential to serve as an enzyme source in cassava composite bread technology. [ABSTRACT FROM AUTHOR]

The enantioselective synthesis of zealexin A1, a sesquiterpene phytoalexin isolated from maize Zea mays is described for the first time. Our methodology for the total synthesis of zealexin A1 involved the stereoselective construction of the stereogenic center via enzymatic resolution followed by Johnson–Claisen rearrangement. The absolute configuration of the natural product was determined through gas chromatography analyses for the methyl esters for both synthetic and natural zealexin A1. [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]

[Display omitted] • New, label-free, UPLC-QDa based method for polysorbate 20 specific oxidation marker quantification in biopharmaceutical formulations. • Determination of absolute concentration of oxidation markers via external calibration with reference standards. • Synergistic sample preparation for the analysis of esters, fatty acids and oxidation markers from a single sample preparation. Polysorbates (PS) are the most frequently used surfactants to stabilize biologicals. Ironically, these excellent stabilizing non-ionic surfactants have inherent structural properties, which lead to instabilities of their own. Such PS degradation can be triggered by multiple root-causes, like chemical and enzymatic hydrolysis or oxidative degradation. This can on the one hand reduce the concentration of surface-active PS and on the other hand lead to the formation of unfavorable degradants, like poorly soluble free fatty acids (FFA), which may phase separate and form visible FFA particles. Due to the potential criticality of PS degradation in biopharmaceutical formulations, various analytics have been established in recent years not only to monitor the PS content but also to evaluate specific PS markers and crucial degradants. However, in most cases sample preparations and several analytical assays have to be conducted to obtain a comprehensive picture of potential PS degradation root-causes. Here we show a novel approach for PS degradation UPLC-QDa based root-cause analytics, which utilizes previously established analytics for (i) most relevant polysorbate 20 (PS20) esters, (ii) PS20 free fatty acids and (iii) a newly developed method for the evaluation of PS20 specific oxidation markers. Thereby, this triad of analytical methods uses the same sample preparation and detector, which reduces the overall necessary effort, time investment and sample volume. Furthermore, the innovative PS20 oxidation marker method allows to quantify specific concentrations of the determined markers by external calibration and possible perception of oxidative degradation processes prior to relevant losses of PS20 esters, which could serve as an early indication during formulation development. The applicability of this method set was verified using several PS20 containing stress samples, which cover the most relevant root-causes, including acidic and alkaline hydrolysis, enzyme mediated hydrolysis, oxidative AAPH stress and Fe2+/H 2 O 2 mediated degradation as well as autoxidation via long-term storage at elevated temperatures. Overall, this analytical setup has shown to deliver in-depth data about PS20 degradation, which can be used to narrow down the causative stress without the necessity of fundamentally different methods. Therefore, it can be seen as all-in-one solution during sometimes troublesome development of biopharmaceutical formulations, that supports the elucidation of the PS degradation mechanism(s) and thus establish mitigation strategies. [ABSTRACT FROM AUTHOR]

Biodiesel is a potential renewable energy source that can be used to replace fossil fuels because of its low toxicity, biodegradability, and renewability. However, biodiesel production requires long reaction times. Hence, a catalyst is needed to speed up the reaction and optimize production conditions. CS/PVA thin film catalyst immersed in NaOH has intriguing catalytic properties that can improve biodiesel conversion efficiency. In this paper, a series of chitosan/polyvinyl alcohol‑sodium hydroxide (CS/PVA-NaOH) thin films have been prepared as heterogeneous catalysts in biodiesel production. According to the FTIR spectra data, It shows that the vibrational frequency of the hydroxyl group (-OH) shifted from 3271 cm−1 to 3290 cm−1, indicating the hydrogen bond interaction between chitosan and PVA. Water uptake (45.42–218.64 %), swelling (120.63–142.99 %), porosity (62.67–243.43 %), and the durability of the thin film at pH conditions of 5–11 ha v e been found to be the physicochemical characteristics of blended Chitosan/PVA (4/1; 3/2; 2.5/2.5; 2/3; 1/4 (v/v)). The optimal conditions for producing biodiesel were found to be around 65 °C for 90 min with an oil: methanol molar ratio of 1:7. By using a heterogeneous catalyst of CS/PVA-NaOH, the conversion efficiency from oil to biodiesel was achieved at around 95.39–99.52 %. [Display omitted] • Synthesis and characterization of CS/PVA thin films have been successfully carried out. • NaOH-immersed CS/PVA is an efficient thin film catalyst because it increases the purity of biodiesel • Optimal conditions, kinetic studies, methyl ester analysis, and catalytic mechanisms have been clarified. • Intermolecular hydrogen bonds are crucial in improving the properties of thin films as heterogeneous catalysts. [ABSTRACT FROM AUTHOR]

The diversity of azaphilones in stromatal extracts of the fungus Hypoxylon fragiforme was investigated and linked to their biosynthetic machineries by using bioinformatics. Nineteen azaphilone‐type compounds were isolated and characterized by NMR spectroscopy and mass spectrometry, and their absolute stereoconfigurations were assigned by using Mosher ester analysis and electronic circular dichroism spectroscopy. Four unprecedented bis‐azaphilones, named hybridorubrins A–D, were elucidated, in addition to new fragirubrins F and G and various known mitorubrin derivatives. Only the hybridorubrins, which are composed of mitorubrin and fragirubrin moieties, exhibited strong inhibition of Staphylococcus aureus biofilm formation. Analysis of the genome of H. fragiforme revealed the presence of two separate biosynthetic gene clusters (BGCs) hfaza1 and hfaza2 responsible for azaphilone formation. While the hfaza1 BGC likely encodes the assembly of the backbone and addition of fatty acid moieties to yield the (R)‐configured series of fragirubrins, the hfaza2 BGC contains the necessary genes to synthesise the widely distributed (S)‐mitorubrins. This study is the first example of two distant cross‐acting fungal BGCs collaborating to produce two families of azaphilones and bis‐azaphilones derived therefrom. [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]

Background and aims Camelina (Camelina sativa , Brassicaceae) has attracted interest in recent years as a novel oilseed crop, and an increasing number of studies have sought to enhance camelina's yield potential or to modify the composition of its oil. The ability of camelina to cross-hybridize with its wild relative, C. microcarpa , is of interest as a potential source of genetic variability for the crop. Methods Manual crosses were performed between the crop C. sativa and its wild relative C. microcarpa ; F 1 and F 2 progenies were obtained. Cytology was used to study meiosis in the parents and F 1s and to evaluate pollen viability. Flow cytometry was used to estimate nuclear DNA amounts and fatty acid methyl ester analysis was used to evaluate the lipid composition of F 3 seeds. Key Results The F 1 plants obtained by interspecific crossing presented severe abnormalities at meiosis and low pollen viability, and produced very few F 2 seeds. The F 2s presented diverse phenotypes and in some cases severe developmental abnormalities. Many F 2s were aneuploid. The F 2s produced highly variable numbers of F 3 seeds, and certain F 3 seeds presented atypical lipid profiles. Conclusions Considering the meiotic abnormalities observed and the probability of aneuploidy in the F 2 plants, the C. microcarpa accessions used in this study would be difficult to use as sources of genetic variability for the crop. [ABSTRACT FROM AUTHOR]

Microalgal biomass has emerged as a promising alternative to replace plant-based biofuel feedstock due to its higher lipid productivity. But cultivation of microalgae in expensive analytical grade culture media is a major obstacle in feasible algal biofuel production. Hence the present investigation was carried out to find an alternative, low-cost culture medium for the increased biomass yield and biochemical production of microalga, Desmodesmus subspicatus MB. 23. The strain was cultivated in different concentrations of 19: 19: 19 NPK media and checked for the algal biomass production and biochemical accumulation. Maximum algal cell density (5290 ×104 cells/ml), biomass yield and productivity (2.72 g/L, 60.87 mg/L/d) was attained in 2 g/L NPK fertilizer medium, whereas 1g/L medium exhibited increased chlorophyll production (chl-a, 4.7 mg/g d wt, chl-b 1.7 mg/g d wt). High level of carotenoid accumulation (4.6 mg/g d wt) as well as lipid accumulation (29.5%) was found in 0.5g/L fertilizer media and Fatty acid methyl ester analysis of the strain showed abundant production of C16 and C18 fatty acids. Findings of the current study proved that, lower concentration of 19:19:19 NPK fertilizer can be used for the enhanced production of green microalgae. Other than cost effective biofuel production, NPK fertilizer grown D. subspicatus can also be used for the production of a wide range of metabolites such as food and feed additives, pharmaceuticals and cosmetics. [ABSTRACT FROM AUTHOR]

Presented is an ultra-high-pressure liquid chromatographic tandem mass spectrometry (UPLC–MS/MS) method developed for the detection of propylene glycol, glycerol, ethylene glycol and diethylene glycol using isotopically labeled standards in urine as part of ongoing studies to evaluate whether urinary propylene glycol and/or vegetable glycerin concentration are indicators of recent use. Propylene glycol and vegetable glycerol are found in many products that are consumed and used including electronic cigarettes (e-cigarettes). E-cigarettes are battery-powered devices used as an alternative to traditional cigarettes. The liquid formulations aerosolized in these devices largely consist of propylene glycol and/or vegetable glycerol. Published reports regarding the ratio of propylene glycol to glycerol content in these formulations ranged from 50:50 to 100 percent of either. For the analysis of urine specimens from both users and non-users of e-cigarettes, calibrators, controls and specimens were derivatized using benzoyl chloride prior to analysis. They were analyzed using a Waters AcQuity Xevo TQ-S Micro UPLC–MS/MS. Chromatographic separation was performed on an AcQuity UPLC BEH C18 1.7 um, 2.1 × 50 mm, column using a 20 mM ammonium formate in water and 20 mM ammonium formate in methanol as the mobile phase. The method was validated using SWGTOX guidelines for linearity, precision and accuracy, stability, carryover and limit of detection. The linear range was determined using a seven-point calibration curve ranging between 0.5 and 100 mcg/mL. The bias for all validation controls was determined to be ±20% of the expected concentrations with CVs of <15%. A total of 124 urine specimens analyzed collected with 50 specimens collected from self-reported non-smokers (cigarettes/e-cigarettes) confirmed cotinine free using the DRI® Cotinine Assay (Thermo Scientific, Waltham, MA) and 74 specimens collected before and after 12 hours self-reported e-cigarettes abstinence e-cigarette users. Propylene glycol and glycerol were determined to have concentration ranges of "none detected" to 1470 and "none detected" to 2950 mcg/mL, respectively. [ABSTRACT FROM AUTHOR]

Coupling algal cultivation with wastewater treatment due to their potentials to alleviate energy crisis and reduce environmental burden has attracted the increased attention in recent years. However, these microalgal-based processes are challenging since daily and seasonal temperature fluctuation may affect microalgal growth in wastewater, and the effects of the temperature regimes on microalgal biomass production and wastewater nutrient removal remain unclear. In this study, Chlorella vulgaris was continuously cultured for 15 days in municipal wastewater to investigate the effects on the algal biomass and wastewater nutrient removal in three temperature regimes: (1) low temperature (4 °C), (2) high temperature (35 °C), and (3) alternating high-low temperature (35 °C in the day: 4 °C at night). Compared with the other two temperature regimes, the high-low temperature conditions generated the most biomass (1.62 g L-1), the highest biomass production rate (99.21 mg L-1 day-1), and most efficient removal of COD, TN, NH3-N, and TP (83.0%, 96.5%, 97.8%, and 99.2%, respectively). In addition, the polysaccharides, proteins, lipid content, and fatty acid methyl ester composition analysis indicates that in alternating high-low temperature condition, biomass production increased the potential for biofuel production, and there was the highest lipid content (26.4% of total dry biomass). The results showed that the nutrients except COD were all efficiently removed in these temperature conditions, and the alternating high-low temperature condition showed great potential to generate algal biomass and alleviate the wastewater nutrients. This study provides some valuable information for large-scale algal cultivation in wastewater and microalgal-based wastewater treatments. [ABSTRACT FROM AUTHOR]

Summary: The complete degradation of the xenobiotic and environmentally harmful phthalate esters is initiated by hydrolysis to alcohols and o‐phthalate (phthalate) by esterases. While further catabolism of phthalate has been studied in aerobic and denitrifying microorganisms, the degradation in obligately anaerobic bacteria has remained obscure. Here, we demonstrate a previously overseen growth of the δ‐proteobacterium Desulfosarcina cetonica with phthalate/sulphate as only carbon and energy sources. Differential proteome and CoA ester pool analyses together with in vitro enzyme assays identified the genes, enzymes and metabolites involved in phthalate uptake and degradation in D. cetonica. Phthalate is initially activated to the short‐lived phthaloyl‐CoA by an ATP‐dependent phthalate CoA ligase (PCL) followed by decarboxylation to the central intermediate benzoyl‐CoA by an UbiD‐like phthaloyl‐CoA decarboxylase (PCD) containing a prenylated flavin cofactor. Genome/metagenome analyses predicted phthalate degradation capacity also in the sulphate‐reducing Desulfobacula toluolica, strain NaphS2, and other δ‐proteobacteria. Our results suggest that phthalate degradation proceeds in all anaerobic bacteria via the labile phthaloyl‐CoA that is captured and decarboxylated by highly abundant PCDs. In contrast, two alternative strategies have been established for the formation of phthaloyl‐CoA, the possibly most unstable CoA ester in biology. [ABSTRACT FROM AUTHOR]

Dysregulated lipid species are linked to various disease pathologies and implicated as potential biomarkers for type 1 diabetes (T1D). However, it is challenging to comprehensively profile the blood specimen lipidome with full structural details of every lipid molecule. The commonly used reversed-phase liquid chromatography-tandem mass spectrometry (RPLC-MS/MS)-based lipidomics approach is powerful for the separation of individual lipid species, but lipids belonging to different classes may still co-elute and result in ion suppression and misidentification of lipids. Using offline mixed-mode and RPLC-based two-dimensional separations coupled with MS/MS, a comprehensive lipidomic profiling was performed on human sera pooled from healthy and T1D subjects. The elution order of lipid molecular species on RPLC showed good correlations to the total number of carbons in fatty acyl chains and total number of double bonds. This observation together with fatty acyl methyl ester analysis was used to enhance the confidence of identified lipid species. The final T1D serum lipid library database contains 753 lipid molecular species with accurate mass and RPLC retention time uniquely annotated for each of the species. This comprehensive human serum lipid library can serve as a database for high-throughput RPLC-MS-based lipidomic analysis of blood samples related to T1D and other childhood diseases. [ABSTRACT FROM AUTHOR]

Aims: Bacterial decays of onion bulbs have serious economic consequences for growers, but the aetiologies of these diseases are often unclear. We aimed to determine the role of Rahnella, which we commonly isolated from bulbs in the United States and Norway, in onion disease. Methods and Results: Isolated bacteria were identified by sequencing of housekeeping genes and/or fatty acid methyl ester analysis. A subset of Rahnella spp. strains was also assessed by multilocus sequence analysis (MLSA); most onion strains belonged to two clades that appear closely related to R. aquatilis. All tested strains from both countries caused mild symptoms in onion bulbs but not leaves. Polymerase chain reaction primers were designed and tested against strains from known species of Rahnella. Amplicons were produced from strains of R. aquatilis, R. victoriana, R. variigena, R. inusitata and R. bruchi, and from one of the two strains of R. woolbedingensis. Conclusions: Based on binational testing, strains of Rahnella are commonly associated with onions, and they are capable of causing mild symptoms in bulbs. Significance and Impact of the Study: While Rahnella strains are commonly found within field‐grown onions and they are able to cause mild symptoms, the economic impact of Rahnella‐associated symptoms remains unclear. [ABSTRACT FROM AUTHOR]

The detection of 3- and 2-MCPD ester and glycidyl ester was transformed from selected ion monitoring (SIM) mode to multiple reaction monitoring (MRM) mode by gas chromatography triple quadrupole spectrometry. The derivatization process was adapted from AOCS method Cd 29a-13. The results showed that the coefficient of determination (R2) of all detected compounds obtained from both detection mode was comparable, which falls between 0.997 and 0.999. The limit of detection and quantification (LOD and LOQ) were improved in MRM mode as compared to SIM mode. In MRM mode, the LOD of 3- and 2-MCPD ester was achieved 0.01 mg/kg while the LOQ was 0.05 mg/kg. Besides, LOD and LOQ of glycidyl ester were 0.024 and 0.06 mg/kg respectively. A blank spiked with MCPD esters (0.03, 0.10 and 0.50 mg/kg) and GE (0.06, 0.24 and 1.20 mg/kg) were chosen for repeatability and recovery tests. MRM mode showed better repeatability in area ratio and recovery with relative standard deviation (RSD %) < 5% for 2-, 3-MCPD ester at 0.5 mg/kg and GE at 1.2 mg/kg. Quantification of 22 food samples from different category were performed by repeated injections in both detection modes. Briefly, the contaminants from crude palm oil, mustard and olive oil were present in minute amount which below the LOD or LOQ in both detection modes. Sample from chocolate and infant formula products showed certain level of MCPD esters and GE, and their detection was more precisely quantitated based on MRM mode. Besides, margarine products showed a higher level of contaminations due to the high fat content in these products. MRM mode detection was proven to provide precise data with low RSD % in different food matrices. MRM mode detection was robust and selective for MCPD esters and GE analyses, it should be applied to determine the concentration of MCPD esters and GE contaminations in food. Unlabelled Image • MCPD ester and GE detection were improvised in multiple reaction monitoring mode (MRM). • MRM mode increases the sensitivity of MCPD ester and GE detections. • MRM mode detection showed good repeatability and recovery. • MRM detection reveal the presence of compounds originally found not detectable. • Complex food matrices did not hinder the repeatability of analyses. [ABSTRACT FROM AUTHOR]

Plants expend significant resources to select and maintain rhizosphere communities that benefit their growth and protect them from pathogens. A better understanding of assembly and function of rhizosphere microbial communities will provide new avenues for improving crop production. Secretion of antibiotics is one means by which bacteria interact with neighboring microbes and sometimes change community composition. In our analysis of a taxonomically diverse consortium from the soybean rhizosphere, we found that Pseudomonas koreensis selectively inhibits growth of Flavobacterium johnsoniae and other members of the Bacteroidetes grown in soybean root exudate. A genetic screen in P. koreensis identified a previously uncharacterized biosynthetic gene cluster responsible for the inhibitory activity. Metabolites were isolated based on biological activity and were characterized using tandem mass spectrometry, multidimensional nuclear magnetic resonance, and Mosher ester analysis, leading to the discovery of a new family of bacterial tetrahydropyridine alkaloids, koreenceine A to D (metabolites 1 to 4). Three of these metabolites are analogs of the plant alkaloid γ-coniceine. Comparative analysis of the koreenceine cluster with the γ-coniceine pathway revealed distinct polyketide synthase routes to the defining tetrahydropyridine scaffold, suggesting convergent evolution. Koreenceine-type pathways are widely distributed among Pseudomonas species, and koreenceine C was detected in another Pseudomonas species from a distantly related cluster. This work suggests that Pseudomonas and plants convergently evolved the ability to produce similar alkaloid metabolites that can mediate interbacterial competition in the rhizosphere.IMPORTANCE The microbiomes of plants are critical to host physiology and development. Microbes are attracted to the rhizosphere due to massive secretion of plant photosynthates from roots. Microorganisms that successfully join the rhizosphere community from bulk soil have access to more abundant and diverse molecules, producing a highly competitive and selective environment. In the rhizosphere, as in other microbiomes, little is known about the genetic basis for individual species' behaviors within the community. In this study, we characterized competition between Pseudomonas koreensis and Flavobacterium johnsoniae, two common rhizosphere inhabitants. We identified a widespread gene cluster in several Pseudomonas spp. that is necessary for the production of a novel family of tetrahydropyridine alkaloids that are structural analogs of plant alkaloids. We expand the known repertoire of antibiotics produced by Pseudomonas in the rhizosphere and demonstrate the role of the metabolites in interactions with other rhizosphere bacteria. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Grown field cultured algae that was fed with diary manure waste water. • Compared field cultured to food grade commercial algae by their chemical and thermal properties. • Bio-oil, biochar and gas products were produced by pyrolysis and yields were temperature dependent. • Pyrolysis bio-oil mainly contained lipid derived compounds. Abstract Chlorella vulgaris algae is comprised of a complex mixture of compounds such as carbohydrates, lipids, and proteins and is a suitable feedstock for biofuels. The aim of this study was to convert commercial and a low cost field cultivated algae, via pyrolysis, to produce bio-oil, synthesis gas, and biochar products. The thermal degradation behaviour of algae was investigated by thermogravimetric analysis. Proximate, ultimate, fatty acid methyl ester and carbohydrates analyses, and pyrolysis–GCMS were further employed to characterize the chemical components of algae. Commercial and field cultured C. vulgaris algae was pyrolyzed (450, 500, and 550 °C) and their pyrolysis products were collected and characterized. The highest biochar yield was 42% at 450 °C and the highest bio-oil yield was 47.7% at 550 °C. The biochar physical and chemical properties were assessed using proximate and ultimate analysis, calorific value, specific surface area, butane absorption activity, Raman spectroscopy, and electron microscopy. Algae biochar was found to be mostly composed of condensed phenolic compounds and majorly disordered amorphous carbon. The bio-oils were characterized by the combination of GC–MS, high-pressure liquid chromatography, and electrospray ionization mass spectrometry. Fatty acids, carbohydrates, nitrogen-containing compounds, and aromatic hydrocarbons were abundantly found in the algae bio-oil. [ABSTRACT FROM AUTHOR]

The present work emphasis on to estimate the theoretical findings of energy and exergy analysis of biodiesel fueled with diesel on variable compression ratio engine at various combinations of fuel blend at different compression ratios. This study aims to identify the optimum engine settings based on compression ratio and biodiesel blends. The engine is operated with methyl esters of rubber seed oil and its 20, 40, 60 and 80% blends with diesel on volume basis. The compression ratio is varied from 18:1 to 22:1 at five compression ratios at 80% load in 3.5 kW, 1500 rpm, single cylinder water-cooled direct injection engine. The variables analyzed are energy and exergy potential of fuel input, shaft work, cooling water, maximum pressure, heat release rate, exergy destruction, brake-specific energy consumption, brake thermal efficiency, second law efficiency, entropy generation, exhaust gas temperature and various emissions. It is observed that the combination of CR 20, B20 and B40 at 80% load gives a better performance in thermodynamic analysis of methyl esters of rubber seed oil blended with diesel in VCR engine. [ABSTRACT FROM AUTHOR]

Graphical abstract Abstract Sugarcane bagasse cellulose mixed ester succinate phthalate (SBSPh) was synthesized by a novel one-pot reaction method. The effects of temperature, time and mole fraction of succinic anhydride (χ SA) on the responses weight gain (wg), number of carboxylic acid groups (n T,COOH), and adsorption capacity (q) of Co2+ and Ni2+ were evaluated by a 23 experimental design. The chemical structure of the material was elucidated by Fourier transform infrared, 13C Multiple Cross-Polarization solid-state NMR spectroscopy and 1H NMR relaxometry. The best SBSPh synthesis condition (100 °C, 11 h, χ SA of 0.2) yielded a wg of 59.1%, n T,COOH of 3.41 mmol g−1, and values of q Co 2+ and q Ni 2+ of 0.348 and 0.346 mmol g−1, respectively. The Sips model fitted better the equilibrium data, and the maximum adsorption capacities (pH 5.75 and 25 °C) estimated by this model were 0.62 and 0.53 mmol g−1 for Co2+ and Ni2+, respectively. The Δ ads H ° values estimated by isothermal titration calorimetry were 8.43 and 7.79 kJ mol−1 for Co2+ and Ni2+, respectively. Desorption and re-adsorption efficiencies were evaluated by a 22 experimental design, which showed that SBSPh adsorbent can be recovered and reused without significant loss of adsorption capacity. [ABSTRACT FROM AUTHOR]

Abstract Antibiotic resistance is a global current threat of increasing importance. Moreover, biofilms represent a medical challenge since the inherent antibiotic resistance of their producers demands the use of high doses of antibiotics over prolonged periods. Frequently, these therapeutic measures fail, contributing to bacterial persistence, therefore demanding the development of novel antimicrobials. Esters of bicyclic amines (EBAs), which are strong inhibitors of Streptococcus pneumoniae growth, were initially designed as inhibitors of pneumococcal choline-binding proteins on the basis of their structural analogy to the choline residues in the cell wall. However, instead of mimicking the characteristic cell chaining phenotype caused by exogenously added choline on planktonic cultures of pneumococcal cells, EBAs showed an unexpected lytic activity. In this work we demonstrate that EBAs display a second, and even more important, function as cell membrane destabilizers. We then assayed the inhibitory and disintegrating activity of these molecules on pneumococcal biofilms. The selected compound (EBA 31) produced the highest effect on S. pneumoniae (encapsulated and non-encapsulated) biofilms at very low concentrations. EBA 31 was also effective on mixed biofilms of non-encapsulated S. pneumoniae plus non-typeable Haemophilus influenzae , two pathogens frequently forming a self-produced biofilm in the human nasopharynx. These results support the role of EBAs as a promising alternative for the development of novel, broad-range antimicrobial drugs encompassing both Gram-positive and Gram-negative pathogens. Graphical abstract Unlabelled Image Highlights • Esters of bicyclic amines (EBAs) destabilize the bacterial membrane. • EBAs trigger the premature autolysis of Streptococcus pneumoniae by LytA autolysin. • EBAs disrupt mixed biofilms formed by S. pneumoniae and Haemophilus influenzae. • Broad-spectrum effect of EBAs is useful to fight antimicrobial resistance. [ABSTRACT FROM AUTHOR]

Palladium‐ and rhodium‐catalyzed selective reactions of 2H‐azirines and N‐(acyloxy)amides leading to α‐amino oxime esters were described. The regioselectivities of the reactions are catalyst‐controlled, and two different α‐amino oxime esters were selectively obtained in high yields. These reactions involved the construction of new N–O and C–N bonds, which are characterized by 100 % atom economy, good to excellent yields, and mild reaction conditions. Palladium‐ and rhodium‐catalyzed selective reactions of 2H‐azirines and N‐(acyloxy)amides leading to α‐amino oxime esters were described. The regioselectivity is catalyst‐controlled, and two different α‐amino oxime esters were chemoselectively obtained in high yields. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Aliphatic acids are efficient in catalyzing DEP degradation under UV irradiation. • The complexation of aliphatic acids with Fe3+ significantly improves the catalytic abilities. • Polyphenol carboxyl acids have no photocatalytic ability with or without iron coordination. • Hydroxyl substituents on aliphatic acids can improve the catalytic effects of aliphatic acids. • E LUMO significantly negatively influences photocatalytic abilities of aliphatic carboxylic acids. Abstract Diethyl phthalate ester (DEP) can be degraded in Fe3+-UV- aliphatic/phenolic carboxyl acids systems, and the degradation can be significantly influenced by different physical chemical properties of the organic acids. In this study, a density function theory (DFT) approach combined with multilinear regression analysis demonstrates that the lowest unoccupied molecular orbital energy (E LUMO) significantly negatively influenced DEP degradation. The correlation coefficient of the regression is −19.3 mM L−1 h−1. The standardized partial correlation coefficient is −0.674. The aliphatic acids group has higher catalytic ability than the phenolic carboxyl acids group, and by shifting the dominant LUMO configuration from C 3s3d to Fe 4s3d orbitals, Fe3+ significantly accelerates the catalytic reactions of the aliphatic acids/UV systems. Further analysis demonstrates that electron withdrawing hydroxyl group on the aliphatic acids increases the photo catalytic effects of aliphatic acids/UV system. This study highlights the important role of E LUMO of organic acids on their photocatalytic ability towards degradation of organic pollutants. [ABSTRACT FROM AUTHOR]

The photophysical properties of a coumarin 392 4-sulfotetrafluorophenyl ester, C392STP (sodium (E/Z)-4-(4-(2-(6,7-dimethoxycoumarin-3-yl)vinyl)-benzoyl)-2,3,5,6-tetrafluoro-benzenesulfonate), an amine reactive coumarin with potential for bioconjungation, have been studied in different solvents. When increasing the solvent polarity, strong red shifts (31 to 56 nm on going from dioxane to DMSO and PBS, respectively) were observed in the emission spectra while there were minor changes in the absorption spectra. It was found that in addition to non-specific solute–solvent interactions, in protic solvents specific interactions such as hydrogen-bonding occurred. The photophysical behaviour of coumarin also pointed to an increase of the polarity of the molecule upon excitation. The molar absorption coefficient, ε385 = 1.03 × 104 M−1 cm−1, and brightness, ε×Φ = 1.18 × 103 M−1 cm−1, of the coumarin ester were found to be moderate in PBS even if the fluorescence quantum yield (Φ = 0.115) was found to be relatively low. The large Stokes shifts (Δλ = λem−λabs was found to increase from 74 nm in dioxane to 136 nm in PBS), photostability and pH insensitivity are characteristics that turn C392STP into a promising fluorescent dye with potential applications in different fields. [ABSTRACT FROM AUTHOR]

Abstract: Natural esters are beginning to be utilized as transformer oil, so certain problems happening during their operation need to be solved urgently. To explore the effect of pollution on the insulation performance of oil, in this paper we investigate the motion characteristics of cellulose particles and conductivity in a mineral oil and a natural ester. The influence of oil aging, DC electric filed strength, and moisture content of the cellulose particles is considered. It is found hat with increasing electric field strength, aging of the oil, and moisture of the particles, the motion of cellulose particles becomes more obvious. The bridging velocity becomes higher and stable bridges grow more compact. The saturation current in the contaminated oil increases exponentially with the electric field strength. The saturation current in the contaminated natural ester is smaller than that in the contaminated mineral oil under the same electric field and particle concentration, especially when the oil is aged. For the mineral oil, the ratio of the conductivity current in contaminated oil to that in clean oil is higher under a lower electric field. However, the situation is opposite in the case of the natural ester. Fewer cellulose bridges and lower saturation current imply that the natural ester has a better insulation property and resistance to pollution. © 2018 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc. [ABSTRACT FROM AUTHOR]

Synthetic ester oil (SEO) is becoming a replacement for mineral oil in transformers due to its biodegradability and for its better insulation properties. Silica nanoparticles dispersed in SEO can increase its corona inception voltage (CIV) and breakdown voltage compared to pure SEO. Physico-chemical studies were carried out to understand the characteristics of nanoparticles and nanofluids. Methodical experimental studies were carried out to understand the corona discharge activity in SEO based nanofluid. A ultra-high frequency (UHF) sensor was used to identify corona activity and it is concluded that the UHF signal radiated from corona activity in SEO and nanoparticle dispersed SEO have a bandwidth in the range of 700 MHz to 2 GHz. A comparative study on the CIV of SEO and nanofluid under harmonic AC voltages has been carried out, which indicates a reduction in the CIV as the total harmonic distortion of the supply voltage increases. Phase resolved partial discharge analysis indicates that the magnitude of discharges formed in nanofluid is much lower than in the SEO. Comparative statistical analysis are made with the breakdown voltages of the synthetic ester oil and nanofluid. A comparative analysis on the energy of the UHF signal due to the corona discharges is performed. [ABSTRACT FROM AUTHOR]

In this work, thermal aging aspects of mineral oil, ester oils (synthetic and natural), mixed oil have been reported. All the samples were thermally stressed at 110°C, 140°C, 160°C, and 185°C for 2 weeks each. Concentration of dissolved decay contents in oil, flash point of insulation oil, and linear thermal expansion coefficients of solid insulation with aging have been studied using ultraviolet visible spectroscopy, flash point and dilatometry analysis respectively. Change in functional groups of the insulation oils with aging have been understood by Fourier Transform Infrared Spectroscopy analysis. Additionally, diffusion of oil-moisture mixture into paper with aging and corresponding effect on dielectric strength of paper has been also examined. Further, design and monitoring aspects of ester and mixed oil filled transformers have been also emphasized. It is observed that ester dielectric fluids and ester content as an additive in mineral oil improves the performance of solid insulation. Importantly, blended oil offer an advantage of retarding the degradation of oil as well as solid insulation accompanied by reduced cost of oil when compared to pure synthetic esters. [ABSTRACT FROM AUTHOR]