Individual Compounds Research Articles

Influence of Solvent Concentration on the Amount of Individual Phenolic Compounds in Apple and Sour Cherry Pomace

Apple and sour cherry pomace, by-products resulting from fruit processing for juice production, were analysed using high-performance liquid chromatography (HPLC) to identify and quantify individual phenolic compounds. In order to determine the most efficient method of extracting these phenolic compounds from pomace, different concentrations of ethanol were used as the organic solvent. The following phenolic compounds were analysed: gallic acid, neochlorogenic acid, (+)-catechin, (−)-epicatechin, chlorogenic acid, vanillic acid, caffeic acid, ferulic acid, sinapic acid, salicylic acid, ellagic acid, rutin, and myricetin. The amounts of these compounds varied depending on the concentration of ethanol used in the extraction process. Neochlorogenic acid, a potent antioxidant, was quantified in apple and sour cherry pomace extracts, showing significant variation with solvent concentration. In apple pomace, the highest amount was found in ethanol 100% (46.44 mg 100 g−1 DW), followed by ethanol 75% (32.09 mg 100 g−1 DW) and ethanol 50% (7.66 mg 100 g−1 DW). In sour cherry pomace, the highest amount was also extracted into ethanol 100% (45.20 mg 100 g−1 DW) and the lowest in ethanol 50% (29.12 mg 100 g−1 DW). Catechin was detected exclusively in cherry pomace, with a maximum yield observed in 75% ethanol (137.86 mg 100 g−1 DW), which was significantly higher compared to the other phenolic compounds analysed. The obtained results demonstrate the importance of apple and sour cherry pomace as valuable by-products, with the potential to be used in the production of functional foods.

Olfactory Response of Sitophilus zeamais Adults to Odours of Semolina Pasta and Semolina Pasta Enriched with Different Amounts of Acheta domesticus Powder.

The behavioural response of adult maize weevil, Sitophilus zeamais, to different types of semolina pasta enriched or not enriched with increasing proportions (5%, 10%, and 15%) of house cricket (Acheta domesticus) powder was investigated in olfactometer arena bioassays by using trap devices. In the five-choice behavioural bioassays, the number of S. zeamais adults attracted to 100% durum wheat semolina pasta was significantly higher than those attracted to the other pasta types enriched with A. domesticus powder. In the two-choice behavioural bioassays, the Response Index for each pasta type was positive and significant. However, although not significant, there was a progressive reduction in the Response Index as the cricket powder content increased. In similar experiments, there were no significant differences between cricket powder alone and the control in the number of attracted S. zeamais, indicating a neutral effect towards insects. These observations suggest that the lower attractiveness of pasta enriched with house cricket powder is mainly due to the masking of host food odours. Solid-phase microextraction coupled to gas chromatography-mass spectroscopy identified a total of 18 compounds in the head-space samples of the different types of pasta, highlighting differences in volatile composition. Some volatile compounds were only present in the pasta produced with cricket powder. In particular, 1-octen-3-ol and phenol were present in the samples containing 5%, 10%, or 15% cricket powder; pentanal, benzaldehyde, and dimethyl disulphide were present in samples containing 10% or 15% cricket powder; and 2,5-dimethyl-pyrazine was present in the sample containing 15% cricket powder. Further investigation with individual compounds and mixtures is needed to define the chemical basis of the differences in the insect olfactory preference observed in this study.

SPRi Biosensor for Simultaneous Determination of HIF-1α, Angiopoietin-2, and Interleukin-1β in Blood Plasma.

A new analytical method, based on SPRi biosensors, has been developed for the simultaneous determination of the pro-angiogenic factors HIF-1α, angiopoietin-2 (ANG-2), and interleukin-1β (IL-1β) in biological fluids. These proteins take part in the process of angiogenesis, i.e., the creation of new blood vessels, which is a key stage of cancer development and metastasis. A separate validation process was carried out for each individual compound, indicating that the method can also be used to study one selected protein. Low values of the limit of detection (LOD) and quantification (LOQ) indicate that the developed method enables the determination of very low concentrations, in the order of pg/mL. The LOD values obtained for HIF-1α, ANG-2, and IL-1β were 0.09, 0.01, and 0.01 pg/mL, respectively. The LOQ values were 0.27, 0.039, and 0.02 pg/mL, and the response ranges of the biosensor were 5.00-100.00, 1.00-20.00, and 1.00-15.00 pg/mL. Moreover, determining the appropriate validation parameters confirmed that the design offers high precision, accuracy, and sensitivity. To prove the usefulness of the biosensor in practice, determinations were made in plasma samples from a control group and from a study group consisting of patients with diagnosed bladder cancer. The preliminary results obtained indicate that this biosensor can be used for broader analyses of bladder cancer. Each of the potential biomarkers, HIF-1α, ANG-2, and IL-1β, produced higher concentrations in the study group than in the control group. These are preliminary studies that serve to develop hypotheses, and their confirmation requires the analysis of a larger number of samples. However, the constructed biosensor is characterized by its ease and speed of measurement, and the method does not require special preparation of samples. SPRi biosensors can be used as a sensitive and highly selective method for determining potential blood biomarkers, which in the future may become part of the routine diagnosis of cancers.

Analysing the self-assembly modes in chiral multi-component gels based on donor and acceptor moieties

ABSTRACT The role of the structural similarity in the individual components on the self-assembly process of multi-component systems was studied by analysing the gelation properties of chiral multi-component gels with structurally similar (enantiomers) and non-similar donor or acceptor moieties. The gelation properties of the individual enantiomers, mixed enantiomers, and mixed chiral donor-acceptor compounds were analysed in various solvents. Analysis of the mechanical strength revealed that the mixed chiral gels were stronger compared to other gels in mesitylene; however, a reverse trend was observed for thermal stability. Scanning electron microscopy (SEM) of the dried gels of the mixed enantiomeric and mixed chiral donor-acceptor gels showed morphological changes indicating different self-assembly modes. Powder X-ray analysis revealed that a co-assembled mode was observed for the mixed gels with structurally similar components. However, a self-sorting nature was observed for the mixed chiral donor-acceptor gel, and the charge transfer interaction between the donor and acceptor played a major role in the self-assembly of these mixed gels. We performed computational studies to predict the electronic distribution in the individual chiral molecules. These results demonstrate that altering the structural features of the individual components is one of the key parameters that control the self-assembly modes of multi-component systems.

Phytochemical Characterization of Two New Olive Oil Genotypes Growing in Southern Tunisia.

This research can be considered as the first complete survey for the valorization of new olive genotypes cultivated in the South-East of Tunisia as well as their oils. The study aimed to characterize the phytochemical composition of virgin olive oil produced from two olive cultivars, namely Nourgou and Gousalani. The pomological characterization of fruits, the quality criteria and the phytochemical profile were quantified. Additionally, antioxidant activity was evaluated using Ferric reducing antioxidant power (FRAP) and Oxygen radical absorbance capacity (ORAC) tests to also obtain a bioactive characterization of these monovarietal olive oils. The obtained results revealed that the analyzed olive oils samples can be classified into Extra Virgin category (EVOO) according to the regulated physicochemical characteristics. Our findings showed a significant variability in the chemical parameters of the analyzed EVOO likely associated with the genetic potential, mainly for chlorophylls contents (1.37-1.64 mg/kg), in carotenoids pigments (3.97-10.86 mg/kg), in α-tocopherol (175.59-186.87 mg/kg), in sterols (1036.4-1931.4 mg/kg) in oleic acid (65.33-68.73%), in palmitic acid (C16:0) (13.32-17.48%), in linoleic acid (C18:2) (11.06-13.47%). Additionally, the HPLC-MS/MS analysis showed that the two EVOOs analyzed contained appreciable amounts of total polyphenols, ranging from 348.03 up to 516.16 mg/kg, in Nourgou and Gousalani oils, respectively. Regarding the individual phenolic compounds, the EVOO samples were mainly characterized by phenolic alcohols, phenolic acids, secoiridoids, verbascoside, flavonoids and phenolic aldehydes. The prevalent simple phenolics detected were secoiridoids with the dominance of the oleuropein aglycone in Gousalani oil. In addition, findings from in vitro antioxidant assays (FRAP and ORAC) revealed that the two studied oils possessed a powerful antiradical activity and a good reducing power capacity. In conclusion, these new EVOOs exhibited a superior quality compared to other Tunisian varieties, considering their antiradical activity and reducing power capacity.

Interpretation of complex x-ray photoelectron peak shapes. II. Case study of Fe 2p3/2 fitting applied to austenitic stainless steels 316 and 304

In this paper, a review of the analysis of Fe 2p3/2 peak and other transition metals in the austenitic stainless steel literature is presented. It reveals the significant shortcomings of the most widely used approaches, based on the principle of “chemistry fitting,” where single symmetric peaks are used to represent either individual oxidation states or specific compounds. No meaningful conclusions can be drawn from these commonly employed two- or three-component peak fitting (2C and 3C) approaches; the implication being that a large portion of the literature that relies on this approach is flawed. As a significantly more accurate and reliable alternative to “chemistry fitting,” we also assess “envelope fitting” (using empirical multiplet structures) and examine its limitations when applying the approach to austenitic stainless steel data. A detailed comparison of these two fitting approaches is described in Part I. For other elements such as Cr 2p, the problems associated with using single components to represent oxidation states or compounds are not as severe. It was found that it does not impact binding energy measurements, but does influence relative intensities, which will have a flow-on effect for oxide thickness calculations and obtaining a correct understanding of the surface more broadly.

Wounding Citrus Peel By-Products as Abiotic Stress to Induce the Synthesis of Phenolic Compounds?

Wounding stress stimulates secondary metabolism and induces the phytochemical accumulation of fresh-cut fruit and vegetables. This research aims to study the biosynthesis of secondary metabolites in citrus peel by-products after different wounding intensities. Orange, grapefruit, and lemon peels were cut into rectangular shapes of 8.5 × 2 cm (CTRL), 1 × 1 cm dices (D), and 0.25 cm grates (G). Samples were stored at 15 °C and 65% relative humidity. Their total phenolic content (TPC), total antioxidant capacity (TAC), and individual organic and phenolic compounds were analyzed after 0, 4, 8, 24, 28, and 36 h. The results showed that the metabolite content decreased with the incubation time, so it is recommended to sample by-products between the first 8 h to achieve the maximum content. Grating, the most severe abiotic stress, was not a suitable technique to induce the synthesis of biocompounds because it allowed the full recovery of flavedo, but partial of albedo. However, it was different for CTRL and D, whose TPCs were ~170 and ~200%, ~98 and ~78%, and ~8 and ~36% higher for orange, grapefruit, and lemon, respectively, compared to G. A principal component analysis confirmed differences between the fruit species and cutting shapes combining all factors. Wounding citrus peels induces the accumulation of phytochemical compounds, but the layer of peel recovered in the cut is crucial in the concentration of phytochemicals extracted. It could be an innovative tool to revalorize these inedible parts of citrus, but further research is still needed.

Bioactive Compounds and the Antioxidant Activity of Selected Vegetable Microgreens: A Correlation Study

In this study, the content of bioactive compounds and antioxidant activity was determined in five selected vegetable microgreens (daikon, i.e., Japanese radish; Chinese red radish; pea; beetroot; and onion). Total phenolics and chlorophylls were analyzed spectrophotometrically in all investigated microgreens. In addition, the content of betalains was determined spectrophotometrically in beetroot microgreens. HPLC analysis was used to identify and quantify individual phenolic compounds. The antioxidant activity of microgreens was determined by DPPH, ABTS and reducing power assays. The highest content of total phenolics, chlorophyll a and chlorophyll b was found in beetroot microgreens (639.85 mg GAE/100 g DW, 202.17 mg/100 g DW and 79.53 mg/100 g DW, respectively). In beetroot microgreens, the content of total betalains, betacyanins and betaxanthins was determined to be 57.27 mg/100 g DW, 43.58 mg BE/100 g DW and 13.68 mg VE/100 g DW, respectively. Among the investigated microgreens, beetroot microgreens showed the highest antioxidant activity, while pea microgreens exhibited the lowest antioxidant activity in all applied assays. The highest correlation was observed for the content of total phenolics and phenolic acids, as determined by HPLC analysis with antioxidant activity using all applied assays, indicating that these compounds were most important contributors to the antioxidant activity of the investigated vegetable microgreens.

Evaluation of the Interaction between Carvacrol and Thymol, Major Compounds of Ptychotis verticillata Essential Oil: Antioxidant, Anti-Inflammatory and Anticancer Activities against Breast Cancer Lines.

The objective of this study was to evaluate the antioxidant, anti-inflammatory, and anticancer properties of thymol, carvacrol, and their equimolar mixture. Antioxidant activities were assessed using the DPPH, ABTS, and ORAC methods. The thymol/carvacrol mixture exhibited significant synergism, surpassing the individual compounds and ascorbic acid in DPPH (IC50 = 43.82 ± 2.41 µg/mL) and ABTS (IC50 = 23.29 ± 0.71 µg/mL) assays. Anti-inflammatory activity was evaluated by inhibiting the 5-LOX, COX-1, and COX-2 enzymes. The equimolar mixture showed the strongest inhibition of 5-LOX (IC50 = 8.46 ± 0.92 µg/mL) and substantial inhibition of COX-1 (IC50 = 15.23 ± 2.34 µg/mL) and COX-2 (IC50 = 14.53 ± 2.42 µg/mL), indicating a synergistic effect. Anticancer activity was tested on MCF-7, MDA-MB-231, and MDA-MB-436 breast cancer cell lines using the MTT assay. The thymol/carvacrol mixture demonstrated superior cytotoxicity (IC50 = 0.92-1.70 µg/mL) and increased selectivity compared to cisplatin, with high selectivity indices (144.88-267.71). These results underscore the promising therapeutic potential of the thymol/carvacrol combination, particularly for its synergistic antioxidant, anti-inflammatory, and anticancer properties against breast cancer. This study paves the way for developing natural therapies against breast cancer and other conditions associated with oxidative stress and inflammation, leveraging the synergistic effects of natural compounds like thymol and carvacrol.

Physiologically Based Pharmacokinetic Model of OATP1B Substrates with a Nonlinear Mixed Effect Approach: Estimating Empirical In Vitro-to-In Vivo Scaling Factors.

Physiologically based pharmacokinetic (PBPK) models are valuable for translating in vitro absorption, distribution, metabolism, and excretion (ADME) data to predict clinical pharmacokinetics, and can enable discovery and early clinical stages of pharmaceutical research. However, in predicting pharmacokinetics of organic anion transporting polypeptide (OATP) 1B substrates based on in vitro transport and metabolism data, PBPK models typically require additional empirical in vitro-to-in vivo scaling factors (ESFs) in order to accurately recapitulate observed clinical profiles. As model simulation is very sensitive to ESFs, a critical evaluation of ESF estimation is prudent. Previously studies have applied classic 'two-stage' and 'naïve pooled data' approaches in identifying a set of compound independent ESFs. However, the 'two-stage' approach has the parameter identification issue in separately fitting data for individual compounds, while the 'naïve pooled data' approach ignores interstudy variability, leading to potentially biased ESF estimates. In this study, we have applied a nonlinear mixed-effect approach in estimating ESF of the PBPK model and incorporated additional data from 86 runs of in vitro uptake assay and 49 clinical studies of 12 training compounds in model development to further enhance the translation of in vitro data to predict the pharmacokinetics of OATP1B substrate drugs. To test predication accuracy of the model, a 'leave-one-out' analysis has been performed. The established model can reasonably describe the clinical observations, with both mean values and interstudy variabilities quantified for ESF and volume of distribution parameters. The mean estimates are largely consistent with values in the previous reports. The interstudy variabilities of these parameters are estimated to be at least 50% (as coefficient of variation). Most compounds can be reasonably predicted in the 'leave-one-out' analysis. This study improves the confidence in predicting the pharmacokinetics of OATP1B substrates in individual studies of small sample sizes, and quantifies the variability associated with the prediction.

Characterization of Phenolic Profile and Biological Properties of Astragalus membranaceus Fisch. ex Bunge Commercial Samples.

Astragalus membranaceus Fisch. ex Bunge (syn. Astragalus mongholicus Bunge) is one of the notable medicinal and food plants. Therefore, the aim of this study was to calculate the phenolic composition and antioxidant, antimicrobial, as well as enzyme inhibitory [acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and tyrosinase (TYR)] activities with chemometric approaches of the hydromethanolic and water extracts of commercial A. membranaceus samples. Ten individual phenolic compounds were determined using high-performance liquid chromatography (HPLC), and only quercetin was found at a level of above 80 µg/g DW in both extracts. Moreover, the highest antioxidant activity in DPPH, FRAP, ABTS, and CUPRAC assays was found in the sample containing the roots in loose form from USA. A. membranaceus extracts displayed the inhibition zone diameters within the range from 10 to 22 mm antimicrobial activity against S. aureus, while there were no inhibition zones in any extracts in case of E. coli. The extracts of A. membranaceous showed an inhibition rate below 40% against TYR, and among tested extracts, only two samples were able to inhibit BChE with IC50 values of above 30 µg/mL. Correlation analysis showed a highly positive relationship between their phenolic composition and antioxidant activity. Concluding, the obtained results confirmed that A. membranaceus commercial samples could be an important dietary source of natural antioxidants.

Integration of Animal Behavioral Assessment and Convolutional Neural Network to Study Wasabi-Alcohol Taste-Smell Interaction.

The commercial wasabi pastes commonly used for food preparation contain a homologous compound of chemosensory isothiocyanates (ITCs) that elicit an irritating sensation upon consumption. The impact of sniffing dietary alcoholic beverages on the sensation of wasabi spiciness has never been studied. While most sensory evaluation studies focus on individual food and beverages separately, there is a lack of research on the olfactory study of sniffing liquor while consuming wasabi. Here, a methodology is developed that combines the use of an animal behavioral study and a convolutional neural network to analyze the facial expressions of mice when they simultaneously sniff liquor and consume wasabi. The results demonstrate that the trained and validated deep learning model recognizes 29% of the images depicting co-treatment of wasabi and alcohol belonging to the class of the wasabi-negative liquor-positive group without the need for prior training materials filtering. Statistical analysis of mouse grimace scale scores obtained from the selected video frame images reveals a significant difference (P < 0.01) between the presence and absence of liquor. This finding suggests that dietary alcoholic beverages might have a diminishing effect on the wasabi-elicited reactions in mice. This combinatory methodology holds potential for individual ITC compound screening and sensory analyses of spirit components in the future. However, further study is required to investigate the underlying mechanism of alcohol-induced suppression of wasabi pungency.

IMPACT OF ENRICHED CO2 IN MODIFIED ATMOSPHERE PACKAGING ON THE PRESERVATION OF “PALMARITAS” STRAWBERRIES AND THE EXTENSION OF THEIR SHELF LIFE

This study evaluated the effect of modified atmospheres (MAPs) with low oxygen levels (2.5%) and high carbon dioxide levels (from 5 to 20%) on strawberries. During 12 days of storage at 4°C, various quality and chemical content parameters were evaluated. These including decay, color, weight loss, firmness, total soluble solids, total polyphenols, anthocyanins, and flavonoids, as well as antioxidant capacity and individual phenolic compounds (quercetin, caffeic acid, gallic acid, (-) epicatechin, and p-coumaric acid). Results showed that high CO2 levels had a positive impact on strawberry preservation: weight loss was reduced, anthocyanin content increased, decay and softening were significantly reduced, and vitamin C content was maintained. At the same time, these high concentrations of CO2 did not affect sugar content, color, antioxidant capacity, total phenolic compounds, or total flavonoid compounds of strawberries. A storage time of 12 days at 4°C, under MAP with an initial gas condition of 2.5% O2 + 15% CO2 + 82.5% N2 or 2.5% O2 + 20% CO2 + 77.5% N2, was found to be ideal for preserving the quality of fresh strawberries.

Elimination of positive and negative sampling artifacts in particulate organic carbon and PAHs using multi-sorbent coated and uncoated denuders

Within the scope of this study, two equivalent PM2.5 samplers were designed and developed to eliminate sampling artifacts in the results of atmospheric particulate organic carbon (OC) and particulate polycyclic aromatic hydrocarbons (PAH) caused by volatile organic compounds (VOCs) and gas phase PAH compounds, respectively. A mass loss of less than 10% due to the denuders was observed. Study results showed that if an impregnated denuder is not used, the results of atmospheric particle OC concentrations will be reported with higher values due to positive errors of 53.2 ± 7.23% (median: 52.00%) on average. It was observed that the total error (net error) was still positive, but decreased to an average of 35.1 ± 16.8% (median: 31.0%) after including the negative errors quantified from the backup filter into the calculation. In cases where denuders were not used in the sampling, it was observed that the results with positive errors of 41.0 ± 14.6% (median: 33.8%) on average would be obtained for the total PAHs. Ozone-induced negative interference was the highest in Acenapthylene (28%), followed by Fluoranthane (20%), Phenanthrene (18%), and 15% for Np and Benzo[g,h,i]perylene compounds, relative to their medians. Negative errors of 10% or less were found in all other individual PAH compounds.

Chemical Composition and Therapeutic Effects of Several Astragalus Species (Fabaceae).

The review integrates information on the component composition and biological activity of some Astragalus L. (Fabaceae) species from studies reported over the past 5-7 years. The aerial and underground parts of 34 Astragalus species contain triterpene saponins, flavonoids, polysacharides, tannins, free organic acids, higher fatty acids, vitamins, trace elements, and other constituents. Among the Astragalus species, A.membranaceus (Fisch.) Bunge is the best studied in terms of component composition and biological activity. Anti-inflammatory, immunomodulatory, antioxidant, anticancer, cardioprotective, and hepathoprotective activities have been experimentally detected in total bioactive substances, fractions, and individual compounds extracted from various parts of A. membranaceus and A. membranaceus var. mongholicus in vitro and in vivo. The composition and biological effects of other Astragalus species are still poorly understood. The review summarizes the recent advances in studying new compounds extracted from Astragalus species and their biological activities.

Antidepressant- and Anxiolytic-like Effects of Pomegranate: Is It Acting by Common or Well-Known Mechanisms of Action?

The pharmacological effects of pomegranates have been described considering metabolic aspects such as hypoglycemic and hypolipidemic activities. The pomegranate extract has activity on the central nervous system (CNS) as a natural antidepressant and anxiolytic. The chemical composition of pomegranates is complex since the bioactive compounds are multiple secondary metabolites that have been identified in the extracts derived from the peel, seed, flowers, leaves, or in their combination; so, it has not been easy to identify an individual compound as responsible for its observed pharmacological properties. From this point of view, the present review analyzes the effects of crude extracts or fractions of pomegranates and their possible mechanisms of action concerning antidepressant- and anxiolytic-like effects in animal models. Serotonin receptors, estrogen receptors, the peroxisome proliferator-activated receptor gamma (PPARγ), or monoamine oxidase enzymes, as well as potent antioxidant and neuroplasticity properties, have been described as possible mediators involved in the antidepressant- and anxiolytic-like behaviors after pomegranate treatment. The pharmacological effects observed on the CNS in experimental models associated with a specific stress level suggest that pomegranates could simultaneously modulate the stress response by activating several targets. For the present review, scientific evidence was gathered to integrate it and suggest a possible pathway for mediators to be involved in the mechanisms of action of the pomegranate's antidepressant- and anxiolytic-like effects. Furthermore, the potential benefits are discussed on comorbid conditions with anxiety and depression, such as perimenopause transition and pain.

Associations of prenatal and concurrent exposure to phenols mixture with anthropometric measures and blood pressure during childhood: A time-varying mixture approach

BackgroundEnvironmental phenols were recognized as endocrine disrupting chemicals (EDCs). However, their impact on childhood anthropometric measures and blood pressure (BP) is still inconclusive. Limited studies have simultaneously considered prenatal and childhood exposures in analyzing mixtures of phenols. ObjectiveWe investigated the relationships between combined prenatal and childhood exposures (two periodic exposures) to phenol mixtures and anthropometric measure and BP, to further identify the vulnerable periods of phenol exposure and to explore the important individual contribution of each phenol. MethodsWe analyzed 434 mother-child dyads from the Sheyang Mini Birth Cohort Study (SMBCS). The urinary concentrations of 11 phenolic compounds were measured using gas chromatography tandem mass spectrometry. Generalized linear regression models (GLMs) and hierarchical Bayesian Kernel Machine Regression (hBKMR) were used to examine the effects of individual phenolic compounds at each period and of two periodic exposures. ResultsIn the single-chemical analysis, prenatal or childhood exposure to specific phenols, especially Benzopheone-3 (BP3), 4-tert-Octylphenol (4-tOP), and Benzyl paraben (BePB) were associated with BMI z-scores (BAZ), Waist-to-height ratio (WHtR), and BP. In the hBKMR models, two periodic exposures to phenol mixtures had a U-shaped association with WHtR, primarily driven by childhood BePB exposure. Moreover, among the phenol mixtures analysis, childhood 4-tOP exposure was identified as the primary contributor to the positive association with diastolic BP. Concurrent exposure to phenol mixtures resulted in greater susceptibility. ConclusionsWe found that prenatal and childhood exposure to phenol mixtures might influence childhood obesity and elevate blood pressure levels. Concurrent exposure to 4-tOP may be the primary driver of the positive associations with BP.

Comparison of Physicochemical Properties, Antioxidants, and Aroma Profiles of Water- and Sodium-Hydroxide-Treated Natural Cocoa Powder.

Cocoa powder alkalization is an essential process in chocolate manufacturing, and traditionally, this process involves the use of alkaline agents, such as sodium hydroxide (NaOH), potassium hydroxide (KOH), and potassium carbonate (K2CO3). However, these methods involve harsh chemicals and energy-intensive procedures, raising significant environmental concerns. Water (H2O) has emerged as a promising alternative due to its safety, minimally harmful byproducts, and accessibility. Green chemistry principles have gained importance across industries, especially in food production, where sustainable practices are highly valued. This study aimed to develop a greener process by investigating the alkalization potential of H2O and comparing the results with those of NaOH. The particle size distribution, pH, color, antioxidant capacity, phenolic composition, and aroma profile of cocoa powders treated with H2O and NaOH were evaluated. The alkalization temperature significantly affected the color of the cocoa powders, and the alkali solution ratio influenced the L* values of H2O-treated powders. In industrial and commercial specifications, an ΔE value below 3 is considered standard for color measurements. Both H2O-treated and NaOH-treated natural cocoa powders had ΔE values exceeding 3 compared to the untreated powder, indicating that H2O treatment darkens the color in a similar way to that of traditional methods. While NaOH produced a darker color, process optimization allowed both H2O and NaOH treatments to achieve similar color attributes (ΔE < 3). Significant differences were observed in the antioxidant capacity and total phenolic content (TPC) between the H2O-treated and NaOH-treated cocoa powders. H2O treatment positively impacted the antioxidative properties of the cocoa powder. The antioxidant capacity, measured by the DPPH and CUPRAC methods, was significantly higher in H2O-treated samples (295.5-317.7 TEAC mg/100 g and 835-1542 TEAC mg/100 g, respectively) compared to NaOH-treated samples (256.6-306.2 TEAC mg/100 g and 171-849 TEAC mg/100 g, respectively). Additionally, the TPC of H2O-treated cocoa powder [281.3-321.6 gallic acid equivalent (GAE) mg/100 g] was significantly higher than that of NaOH-treated powder (100.0-298.6 GAE mg/100 g). The significant differences in the phenolic profiles suggested that the alkalization process affects individual phenolic compounds differently. Moreover, H2O-treated cocoa powders had significantly higher trimethylpyrazine/tetramethylpyrazine (TrMP/TMP) ratios than those of NaOH-treated samples, indicating notable differences in aroma profiles. This study suggests that H2O can replace NaOH in the alkalization process of the cocoa industry, particularly for lightly treated alkalized cocoa powders that maintain high antioxidant activity and TrMP/TMP ratios. This offers a more environmentally friendly, easily manageable, and sustainable process for cocoa powder alkalization.

Matrix effects in ultra-high performance supercritical fluid chromatography-mass spectrometry analysis of vitamin E in plasma: The effect of sample preparation and data processing

The approaches to matrix effects determination and reduction in ultra-high performance supercritical fluid chromatography with mass spectrometry detection have been evaluated in this study using different sample preparation methods and investigation of different calibration models. Five sample preparation methods, including protein precipitation, liquid-liquid extraction, supported liquid extraction, and solid phase extraction based on both “bind and elute” and “interferent removal” modes, were optimized with an emphasis on the matrix effects and recovery of 8 forms of vitamin E, including α-, β-, γ-, and δ-tocopherols and tocotrienols, from plasma. The matrix effect evaluation included the use and comparison of external and internal calibration using three models, i.e., least square with no transformation and no weighting (1/x0), with 1/x2 weighting, and with logarithmic transformation. The calibration model with logarithmic transformation provided the lowest %-errors and the best fits. Moreover, the type of the calibration model significantly affected not only the fit of the data but also the matrix effects when evaluating them based on the comparison of calibration curve slopes. Indeed, based on the used calibration model, the matrix effects calculated from calibration slopes ranged from +92% to – 72% for α-tocopherol and from −77% to +19% in the case of δ-tocotrienol. Thus, it was crucial to calculate the matrix effect by Matuszewski's post-extraction approach at six concentration levels. Indeed, a strong concentration dependence was observed for all optimized sample preparation methods, even if the stable isotopically labelled internal standards (SIL-IS) were used for compensation. The significant differences between individual concentration levels and compounds were observed, even when the tested calibration range covered only one order of magnitude. In methods with wider calibration ranges, the inappropriate use of calibration slope comparison instead of the post-extraction addition approach could result in false negative results of matrix effects. In the selected example of vitamin E, solid-phase extraction was the least affected by matrix effects when used in interferent removal mode, but supported liquid extraction resulted in the highest recoveries. We showed that the calibration model, the use of a SIL-IS, and the analyte concentration level played a crucial role in the matrix effects. Moreover, the matrix effects can significantly differ for compounds with similar physicochemical properties and close retention times. Thus, in all bioanalytical applications, where different analytes are typically determined in one analytical run, it is necessary to carefully select the data processing in addition to the method for the sample preparation, SIL-IS, and chromatography.

Green Approaches for the Extraction of Banana Peel Phenolics Using Deep Eutectic Solvents.

Banana peels, comprising about 35% of the fruit's weight, are often discarded, posing environmental and economic issues. This research focuses on recycling banana peel waste by optimizing advanced extraction techniques, specifically microwave-assisted (MAE) and ultrasound-assisted extraction (UAE), for the isolation of phenolic compounds. A choline chloride-based deep eutectic solvent (DES) with glycerol in a 1:3 ratio with a water content of 30% (w/w) was compared to 30% ethanol. Parameters, including sample-to-solvent ratio (SSR), extraction time, and temperature for MAE or amplitude for UAE, were varied. Extracts were analyzed for hydroxycinnamic acid (HCA) and flavonoid content, and antioxidant activity using FRAP and ABTS assays. DES outperformed ethanol, with HCA content ranging from 180.80 to 765.92 mg/100 g and flavonoid content from 96.70 to 531.08 mg/100 g, accompanied by higher antioxidant activity. Optimal MAE conditions with DES were an SSR of 1:50, a temperature of 60 °C, and a time of 10 min, whereas an SSR of 1:60, time of 5 min, and 75% amplitude were optimal for UAE. The polyphenolic profile of optimized extracts comprised 19 individual compounds belonging to the class of flavonols, flavan-3-ols, and phenolic acids. This study concluded that DESs, with their superior extraction efficiency and environmental benefits, are promising solvents for the extraction of high-value bioactive compounds from banana peels and offer significant potential for the food and pharmaceutical industries.