P-hydroxybenzoic Acid Research Articles

Effect of conformational landscape on the polymorphism and monomorphism of tizanidine cocrystallization outcomes

Molecular conformational diversity plays a crucial role in both polymorphic nucleation and cocrystal formation during the cocrystallization process. However, the relationship between molecular conformation and cocrystallization polymorphism is not well-explored. Herein, the impact of molecular conformational landscapes on cocrystallization outcomes was investigated using tizanidine (TZND) as model compound. Four coformers, namely maleic acid (MA), salicylic acid (SA), p-hydroxybenzoic acid (pHBA), and heptanedioic acid (HDA), were employed and five salt forms were developed for the first time. Compared with TZND, all five salts showed significantly improved water solubility and dissolution rate. The cocrystallization behavior of TZND varied with each coformer: MA exhibited solvent-dependent polymorphism, while SA, pHBA, and HDA showed solvent-independent monomorphism. Crystal structure and conformational analyses revealed the conformational variation of TZND across different cocrystallization outcomes. Molecular dynamics simulations and quantum chemical calculations demonstrated that the interplay between solvent effects and coformer interactions determines the dominant conformations of TZND. The cocrystallization nucleation process was also examined, and the molecular mechanism that explains both polymorphism and monomorphism in the cocrystallization of TZND was proposed.

Single-atom cobalt enables efficient catalytic ozonation for advanced wastewater treatment: Mechanisms and application

Heterogeneous catalytic ozonation (HCO) triggered by single-atom catalysts (SACs) is an emerging and promising advanced wastewater treatment technology. The catalytic ozonation mechanisms involving single-atom sites and the application of SACs-based HCO require further exploration. Herein, a single-atom Co catalyst with Co-N4 active sites was synthesized for HCO. Oxalic acid (OA) and p-hydroxybenzoic acid (pHBA) with different structural and chemical properties were utilized as the model contaminants. Compared with ozonation and Co nanoparticle-based HCO, single-atom Co-based HCO exhibited superior removal for the two model pollutants, with the removal rate constants of 0.098 and 0.076 min−1 for OA and pHBA, respectively. In the single-atom Co-based HCO, ozone was decomposed and converted to nonradical ROS of surface-adsorbed atomic oxygen (*Oad) and singlet oxygen (1O2). OA was mainly removed on the catalyst surface, relying on the adsorption by the catalyst and the oxidation of *Oad, while electron-rich pHBA was oxidized by O3 and 1O2 in solution. Furthermore, using 3-5 mm Al2O3 pellets as the carrier, single-atom Co doped carbon-Al2O3 pellets were fabricated and applied for the advanced treatment of landfill leachate, and the COD decreased from 110 mg/L to 38 mg/L after treatment. This work provided new insights into the oxidation mechanisms and applications of SACs-based HCO.

Defense Molecules of the Invasive Plant Species Ageratum conyzoides

Ageratum conyzoides L. is native to Tropical America, and it has naturalized in many other tropical, subtropical, and temperate countries in South America, Central and Southern Africa, South and East Asia, Eastern Austria, and Europe. The population of the species has increased dramatically as an invasive alien species, and it causes significant problems in agriculture and natural ecosystems. The life history traits of Ageratum conyzoides, such as its short life cycle, early reproductive maturity, prolific seed production, and high adaptive ability to various environmental conditions, may contribute to its naturalization and increasing population. Possible evidence of the molecules involved in the defense of Ageratum conyzoides against its natural enemies, such as herbivore insects and fungal pathogens, and the allelochemicals involved in its competitive ability against neighboring plant species has been accumulated in the literature. The volatiles, essential oils, extracts, residues, and/or rhizosphere soil of Ageratum conyzoides show insecticidal, fungicidal, nematocidal, and allelopathic activity. The pyrrolizidine alkaloids lycopsamine and echinatine, found in the species, are highly toxic and show insecticidal activity. Benzopyran derivatives precocenes I and II show inhibitory activity against insect juvenile hormone biosynthesis and trichothecene mycotoxin biosynthesis. A mixture of volatiles emitted from Ageratum conyzoides, such as β-caryophyllene, β-bisabolene, and β-farnesene, may work as herbivore-induced plant volatiles, which are involved in the indirect defense function against herbivore insects. Flavonoids, such as nobiletin, eupalestin, 5′-methoxynobiletin, 5,6,7,3′,4′,5′-hexamethoxyflavone, and 5,6,8,3,4′,5′-hexamethoxyflavone, show inhibitory activity against the spore germination of pathogenic fungi. The benzoic acid and cinnamic acid derivatives found in the species, such as protocatechuic acid, gallic acid, p-coumaric acid, p-hydroxybenzoic acid, and ferulic acid, may act as allelopathic agents, causing the germination and growth inhibition of competitive plant species. These molecules produced by Ageratum conyzoides may act as defense molecules against its natural enemies and as allelochemicals against neighboring plant species, and they may contribute to the naturalization of the increasing population of Ageratum conyzoides in new habitats as an invasive plant species. This article presents the first review focusing on the defense function and allelopathy of Ageratum conyzoides.

Antimicrobial Properties of Fennel By-Product Extracts and Their Potential Applications in Meat Products.

Background: Beef burgers are perishable meat products, and to extend their shelf life, EU Regulation 1129/11 permits the use of certain additives. Objectives: However, given the concerns of health-conscious consumers and the potential toxicity of synthetic substances, this study aimed to explore the use of fennel waste extracts as natural preservatives. Methods: This study characterized the bioactive compounds (phenolic content), the antioxidant activity (ABTS+ and DPPH assay), and the antimicrobial properties (against Salmonella enterica serotype Enteritidis, Escherichia coli, Staphylococcus aureus, Bacillus cereusi, and Pseudomonas aeruginosa) of different fennel waste extracts (LF, liquid fraction; SF, solid fraction and PF, pellet fraction). Additionally, the potential use of the best fennel extract was evaluated for its impact on beef burger shelf life (up to 18 days at 4 ± 1 °C) in terms of microbiological profile, pH, and activity water (aw). Results: The PF extract, which was rich in flavones, hydroxybenzoic, and hydroxycinnamic acids, demonstrated the highest antioxidant and antimicrobial activities. Microbiological analyses on beef burgers with PF identified this extract as a potential antimicrobial substance. The aw and pH values did not appear to be affected. Conclusions: In conclusion, fennel extracts could be proposed as natural compounds exploitable in beef burgers to preserve their quality and extend their shelf-life.

Two new Cd(II)-based coordination polymers derived from flexible linker: Highly sensitive and selective “turn off-on” fluorescent sensors for ferric and dichromate ions

Coordination polymers (CPs) are peculiar multidimensional materials that find utility as luminescent sensors for ions and molecules existing in wastewater discharge. Herein, two new Cd(II)-based CPs with formula [Cd(L)(phen)]·0.5H2O (1) and [Cd(L)(2,2'-bipy)] (2) (H2L = 3,3'-((1,2-phenylenebis(methylene))bis(oxy))dibenzoic acid, phen = 1,10-phenanthroline and 2,2'-bipy = 2,2'-bipyridine) have been synthesized and characterized. The single crystal X-ray analysis for 1 reveals that, Cd(II)-based centre adopts an octahedral geometry and is coordinated to four carboxyl O atoms from three L2- ligands and two N atoms from phen molecules. While, in CP 2, the Cd(II) centre is seven coordinated, which is completed by five carboxylate O atoms from two distinct L2− ligands and two N atoms from the 2,2-bipy ligand. Both 1 and 2 have been used as turn-off fluorescence sensor for selective and sensitive detection of Fe3+ and Cr2O72-. The CP 1 exhibited superior selectivity and sensitivity than 2 with limit of detection (LOD) 1.732×10-5 M and 5.996×10-6 M against Fe3+ and Cr2O72- respectively. Interestingly, the emissive behaviour of 1 get restored on adding 2-hydroxybenzoic acid (2-hyd acid) (turn on) due to the competitive formation of 2-hyd acid @Fe3+ or 2-hyd acid@Cr2O72- and concomitant release of 1. The fluorescence recovery selectivity of 2-hyd acid over other antioxidants has been attributed to the synergistic effect of high EHOMO value and a small space steric hindrance. The sensing properties of the MOF have been addressed with the help of Hirshfeld surface and density functional theory analyses.

Exploring of Chemical Profile and Biological Activities of Three Ocimum Species From Comoros Islands: A Combination of In Vitro and In Silico Insights.

Ocimum species have a great interest in different traditional medicinal systems. This study examined the chemical composition, antioxidant properties, enzyme inhibitory effects, and antibacterial and antifungal activities of the aerial parts of Ocimum gratissimum, Ocimum americanum, and Ocimum basilicum from the Comoros Islands. The extracts were analyzed using high-performance liquid chromatography-mass spectrometry (HPLC-MS) to determine their chemical composition. Antioxidant activity was assessed using 2,2-Diphenyl-1-picrylhydrazyl (DPPH), 2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS), cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), chelating ability, and phosphomolybdenum radical scavenging assays. Enzyme inhibitory activities against acetylcholinesterase (AChE), butrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase were evaluated using spectrophotometric methods. Antibacterial and antifungal activities were tested using the broth microdilution method against selected pathogenic microorganisms. The selected enzymes and proteins were evaluated using in silico methods with biomolecules from these plants. In addition, 111 different metabolites were identified in the tested extracts using advanced HPLC/MS techniques. The most significant number of detected compounds were derivatives of hydroxycinnamic acids, followed by flavonoid glycosides and aglycones and derivatives of hydroxybenzoic acids. All three Ocimum species exhibited significant antioxidant activities, O. gratissimum exhibited the best-reducing abilities in CUPRAC and FRAP assays. In addition, enzyme inhibitory assays revealed that O. americanum had the most potent inhibitory effect on tyrosinase (48.01 ± 3.89 mg kojic acid equivalent [KAE]/g), and amylase (1.08 ± 0.02 mmol acarbose equivalent [ACAE]/g). Antibacterial and antifungal tests demonstrated that the extracts possess broad-spectrum activity. Molecular docking results showed that compounds exhibited remarkable binding energies with target enzymes and proteins. The molecular dynamics simulations identified chicoric acid with MurE of Staphylococcus aureus complex as the most promising drug candidate. These findings support their traditional medical and nutraceutical uses and suggest possibilities for natural functional applications.

Microbial community acclimation via polarity reversal supports extensive dechlorination and anaerobic mineralization of 2,4,6-trichlorophenol in biocathode

In the anaerobic biocathode, reductive dechlorination of 2,4,6-trichlorophenol (2,4,6-TCP) mainly proceeded to produce 4-monochlorophenol (4-MCP) and phenol, and anaerobic mineralization was challenging. In this study, biocathodes microbial communities were first acclimated via potentials repeatedly adjusted between −0.278 V and +0.200 V (T-200), −0.278 V and +0.400 V (T-400), and −0.278 V and +0.600 V (T-600). Subsequently, all biocathode potentials were stabilized at −0.278 V for the degradation of 2,4,6-TCP. The results revealed that the T-600 achieved the highest degradation rate of 2,4,6-TCP (0.43 d−1), outperforming T-200 (0.051 d −1), T-400 (0.020 d −1), and open-circuit bioreactor (OC, 0.038 d−1) groups. In T-600, pare-dechlorination was facilitated, allowing for the conversion of 2,4,6-TCP to 2-monochlorophenol (2-MCP). Additionally, the detection of 4-hydroxybenzoic acid, an anaerobic mineralization intermediate of 2,4,6-TCP, indicated that anaerobic mineralization was also occurring. Polarity reversal occurred only in T-600 during the acclimation period, resulting in alterations to the electrical properties of the biocathode and microbial community. The cyclic voltammetry (CV) and differential pulse voltammetry (DPV) results indicated that there were more electroactive sites in biocathode of T-600, and the bidirectional extracellular electron transfer (EET) might be related to cytochrome. Mycobacterium (24.33 % in slurry and 19.92 % in biofilm), Thiobacillus (2.47 % in slurry and 17.85 % in biofilm), and Arenimonas (4.23 % in slurries and 4.32 % in cathode biofilm) were identified as the dominant electroactive bacteria in T-600, with Mycobacterium also playing an important role in the degradation of chlorophenols. These findings suggested that polarity reversal may represent a viable strategy for constructing microbial communities capable of achieving simultaneous dechlorination and mineralization of 2,4,6-TCP.

Comparative Analysis of the Effects of Crude Metabolic Extracts of Three Biocontrol Bacteria on Microbial Community Structure Provides a New Strategy for the Biological Control of Apple Replant Disease

The crude metabolic extract from plant biocontrol bacteria plays a very important role in sustainable agricultural production. These extracts help maintain healthy plants and have very important application prospects in biotechnology related to alleviating apple replant disease (ARD). In this study, Bacillus velezensis XC1 (T1), Bacillus amyloliquefaciens QSB-6 (T2), and Lactobacillus reuteri LBR (T3) were examined to characterize the ability of their crude metabolic extracts to alleviate ARD. The high-throughput sequencing data of the soil microbial community structure were analyzed in relation to LBR crude metabolic extracts, and an extensive untargeted metabolomic analysis of UHPLC-Qex active components was performed. Active LC-MS/MS revealed that the main secondary metabolites involved in the biological control exerted by L. reuteri included 3-hydroxypropionaldehyde, extracellular polysaccharides (EPS), p-hydroxybenzoic acid, and azelaic acid. These crude metabolic extracts significantly inhibited the growth of soil pathogenic fungi, reduced the abundance of Fusarium, promoted the abundance of beneficial bacteria such as Pseudomonas, and optimized the soil microbial community structure. Improved modern extraction and purification technologies will be able to offer additional insights into the mechanism of action of these secondary metabolites and enable them to be used in biological preparations to prevent and control ARD in the future, as well as to allow harmful chemical fumigants to be discontinued.

Development of a model to study browning caused by tyrosinase in grape must

Enzymatic browning caused by polyphenol oxidases, tyrosinase and laccase, continues to be one of the main problems in winemaking. Therefore, wineries are very interested in studying the mechanisms of browning and procedures for decreasing the use sulphur dioxide. This research proposes a model to study tyrosinase activity from grape must using different substrates: one monophenol (p-hydroxybenzoic acid), two diphenols (caftaric acid and (−)-epicatechin) and one triphenol (gallic acid). The kinetic constants of tyrosinase, Vmax and KM, indicate that caftaric acid is the best substrate for tyrosinase, followed in decreasing order by (−)-epicatechin, gallic acid and p-hydroxybenzoic acid. This last acid does not appear to be susceptible to browning by the action of grape must tyrosinase. The influence of pH, temperature and ethanol on grape must tyrosinase were also determined and the results indicate that tyrosinase Vmax increases when pH and temperature are higher and that the presence of ethanol reduces it.

Chemical composition and potential pharmacological applications of Centaurea acaulis L.

Our study aimed to characterize the composition of the ethyl acetate extract obtained from Centaurea acaulis L. and assess its dermatoprotective and antioxidant properties. The secondary metabolite composition was established by high-performance liquid chromatography combined with mass spectrometry. The antioxidant activity was assessed using four different assays, including DPPH, β-carotene, CUPRAC, and reducing power assays. Furthermore, the in vitro photoprotective effect was evaluated by measuring sun protection. The HPLC-TOF/MS analysis identified the presence of 19 bioactive compounds in the ethyl acetate extract. Major components such as rosmarinic acid and 4-hydroxy benzoic acid were detected, along with other compounds including caffeic acid, cichoric acid, gentisic acid, p-coumaric acid, protocatechuic acid, ferulic acid, vanilic acid, gallic acid, apigenin-7-glucoside, catechin, kaempferol, and quercetin. The ethyl acetate extract of Centaurea acaulis L. exhibited strong antioxidant activity in DPPH, β-carotene, CUPRAC, and reducing power assays, outperforming standard antioxidants such as butylated hydroxytoluene (BHT) and butylated hydroxyanisole (BHA), tannic acid, and ascorbic acid. Additionally, the extract demonstrated a high ability to absorb UV radiation, with an average sun protection factor of 40.20 ± 0.11. These findings highlight the significant antioxidant and dermatoprotective potential of the ethyl acetate extract from Centaurea acaulis L., suggesting its potential use in cosmetic and dietary additive formulations.

Seasonal variation and size distribution of aromatic acids in urban aerosols in Beijing, China

Aromatic acids are an integral component of organic acids in the atmosphere, contributing to the formation of climate-altering brown carbon (BrC). To better understand the sources and formation processes of aromatic acids, we collected size-segregated particulate matter samples in urban Beijing from April 2017 to January 2018, which were analyzed using solvent-extraction followed by gas chromatography/mass spectrometry. Phthalic acid (o-PhA) had the greatest average annual concentration, followed by terephthalic acid (p-PhA), 4-hydroxybenzoic acid (4-OHBA), dehydroabietic acid (DA), syringic acid (SA), 3-hydroxybenzoic acid (3-OHBA), isophthalic acid (m-PhA), and vanillic acid (VA). We identified distinct seasonal variations in aromatic acids, with o-PhA peaking in summer due to photochemical activity, while p-PhA and 4-OHBA elevated in autumn and summer, respectively, influenced by open waste and biomass burning. Wintertime variations in all aromatic acids were driven by complex meteorology and increased anthropogenic emissions, including rural biomass burning for cooking and heating. Particle size distribution of aromatic acids was affected by seasonal agricultural activities and dust storms, multiple emission sources, and formation mechanisms. The o-PhA has predominantly bimodal distribution, with diverse sources and complex formation mechanisms including gas- and aqueous-phase chemistry. The applicability of o-PhA as a tracer for specific secondary organic aerosols has been questioned due to its potential primary sources. The 3-OHBA, 4-OHBA, VA, SA, and DA exhibited bimodal or trimodal patterns during haze and non-haze periods across different particle size ranges. The seasonal variation in VA/SA and VA/4-OHBA ratios demonstrated the complexity of biomass burning types, influenced by season, particle size, meteorological conditions, and combustion sources.

Phytochemical profiling of Ananas comosus fruit via UPLC-MS and its anti-inflammatory and anti-arthritic activities: In Silico, In Vitro and In Vivo Approach

Ananas comosus [L.] is one of the most appreciated sources of metabolites for nutraceuticals and therapeutics. Traditional use of A. comosus fruit as anti-inflammatory and anti-arthritic agents warrants scientific validation. A. comosus fruit is well-known for its polyphenolic content and antioxidant activity that pose it good candidate in alleviating arthritis. This study aims to investigate the potential of A. comosus fruit as anti-arthritic and anti-inflammatory agent using different approaches in an attempt to reveal the underlying mechanism of action in accordance to its phytoconstituents. Results revealed that total ethanol extract of A. comosus (TEA) has potent in vitro antioxidant, anti-inflammatory and anti-arthritic activities. Also, TEA (500 and 1000 mg/kg) manifested promising in vivo anti-arthritic activity by alleviating paw edema to only 20.2 and 16.4% increase, respectively. High dose of TEA showed significant reduction in inflammatory biomarkers reverting IL- 6 to near normal value (46.93 pg/mL). TEA reversed the induced histopathological damage caused by the adjuvant and inhibit inducible nitric oxide synthase expression. UPLC/QTOF-MS-MS was carried out for metabolite profiling with a total of 53 metabolites identified including hydroxycinnamic acids (HCA), their depsides, glycerides and glycosides derivatives together with hydroxybenzoic acid glycosides, and amino acids. In silico studies displayed inhibitory potential against TNF-α for most of studied HCA derivatives especially dicinnamoyl glycerides and methoxylated HCA. This study is considered the first pharmacological validation of pineapple fruit traditional use. These observed results are attributed to TEA metabolite profile that exhibited favorable pharmacokinetics and drug likeness properties, suggesting their potential as lead drugs.

Leveraging conventional and natural solvents: physical extraction of 4-hydroxybenzoic acid

Leveraging conventional and natural solvents: physical extraction of 4-hydroxybenzoic acid

Carvacrol-conjugated 3-Hydroxybenzoic Acids: Design, Synthesis, cardioprotective potential against doxorubicin-induced Cardiotoxicity, and ADMET study

Carvacrol (CA) is a phenolic monoterpene renowned for its diverse pharmacological benefits, particularly its cardioprotective effects. Concurrently, phenolic acids have also demonstrated promise in mitigating drug-induced cardiotoxicity. Focusing on combating doxorubicin-induced cardiotoxicity (DIC), the research aims to synthesize novel cardioprotective agents by combining CA with 3-hydroxybenzoic acid (3HA). Doxorubicin, an anticancer drug, poses cardiovascular risks as its adverse effect, prompting the exploration of hybrid compounds. Various linker molecules, including alkyl and acyl with different carbon lengths, were investigated to understand their impact on bioactivity. In vitro testing on the DOX-induced H9c2 cell death model revealed the effectiveness of a CA conjugate in preserving cardiomyocyte viability. In silico analysis highlighted favorable drug-like properties and low toxicity of the conjugate. This study sheds light on molecular hybridization’s potential in developing cardioprotective agents, emphasizing CA’s pivotal role in combating DIC.

Optimization of High-Pressure Processing for Microbial Inactivation in Pigmented Rice Grass Juice and Quality Impact Assessment during Refrigerated Storage.

Pigmented rice grass juice (RGJ) is a good source of bioactive compounds, but fresh juice has a relatively short shelf life of only 7 days at 4 °C. The objectives of this study were to determine the optimal growth stage of pigmented rice grass, investigate the optimal condition of high-pressure processing (HPP) for bacterial inactivation in inoculated RGJ using response surface methodology (RSM), and evaluate quality changes in uninoculated HPP-treated juice during storage at 4 °C compared with heat-treated (85 °C/10 min) and untreated samples. Results revealed that the optimal growth stage of rice grass was 9 days with the highest total anthocyanin content of 158.92 mg/L. The optimal condition of HPP was determined to be 612 MPa, 11 min, and 36 °C, and inactivated Escherichia coli K12 and Listeria innocua with 6.43 and 5.02 log reductions, respectively, meeting FDA regulations. The lethality of bacteria after HPP treatment can be explained by damage to the cell membrane and the leakage of intracellular constituents such as protein and nucleic acid. During 12 weeks of storage at 4 °C, total plate counts and yeast and mold counts in uninoculated HPP-treated juice were not detected. Moreover, HPP did not significantly change phytochemical properties (p < 0.05), caused a minor impact on physicochemical properties of RGJ, and maintained the durability of juice samples during storage. Analysis of the phytochemical profile revealed that HPP treatment could preserve most of the phenolic compounds in RGJ and especially increase the contents of protocatechuic acid, 4-hydroxybenzoic acid, syringic acid, transcinnamic acid, isorhamnetin-3-o-glucoside, quercetin, and cyanidin-3-glucoside (p < 0.05). Overall, HPP is a potential pasteurization technique for microbial inactivation and nutritional preservation for rice grass juice.

Lignin-derived compounds assisted with Kocuria marina H-2 and Pseudomonas putida B6-2 co-culture enhanced naphthalene biodegradation

The implementation of environmentally friendly and sustainable remediation strategies positively impacts solid waste management. In this study, the Kocuria marina H-2 and Pseudomonas putida B6-2 co-culture system demonstrated enhanced naphthalene biodegradation efficiency compared to single-strain cultures. Under optimal conditions of 35 °C, 200 rpm/min, and a 1:1 ratio of the co-culture system, the naphthalene biodegradation potential was further increased. Notably, the addition of both ethylenediamine-pretreated lignin and p-hydroxybenzoic acid significantly elevated naphthalene degradation rates to 68.5 %. In addition, the oil-liquid surface tension decreased, while cell surface hydrophobicity and colony-forming units increased with the addition of lignin-derived compounds. The modification of naphthalene bioavailability by ethylenediamine-pretreated lignin would accelerate the uptake and transport of hydrocarbons via ABC transporters and flagellar assembly. Importantly, genes related to bacterial chemotaxis and fatty acid biosynthesis were upregulated during the co-metabolism of naphthalene and p-hydroxybenzoic acid, further enhancing naphthalene bioconversion.

Phytochemical Characterization of Bilberries and Their Potential as a Functional Ingredient to Mitigate Ochratoxin A Toxicity in Cereal-Based Products.

Mycotoxin contamination of cereals and cereal-based products is a serious problem for food safety. Antioxidant-rich ingredients such as bilberries (Vaccinium myrtillus L., VM) may mitigate their harmful effects. Firstly, total phenolic content, antioxidant activity, and analytical phytochemical composition (hydroxycinnamic and hydroxybenzoic acids, flavanols, flavonols, and anthocyanins) were assessed in lyophilized wild bilberries from Romania. Secondly, this study evaluated bilberries' effects on reducing ochratoxin A (OTA) bioaccessibility and cytotoxicity. An in vitro digestion model was developed and applied to four different types of bread: Control, VM (2%), OTA (15.89 ± 0.13 mg/kg), and OTA (16.79 ± 0.55 mg/kg)-VM (2%). The results indicated that VM decreased OTA bioaccessibility by 15% at the intestinal level. OTA-VM digests showed improved Caco-2 cell viability in comparison to OTA digests across different exposure times. Regarding the alterations in Jurkat cell line cell cycle phases and apoptosis/necrosis, significant increases in cell death were observed using OTA digests (11%), while VM addition demonstrated a protective effect (1%). Reactive oxygen species (ROS) analysis confirmed these findings, with OTA-VM digests showing significantly lower ROS levels compared to OTA digests, resulting in a 3.7-fold decrease. Thus, bilberries exhibit high potential as a functional ingredient, demonstrating protection in OTA mitigation effects.

Acute toxicity assessment of bioactive constituents from Salvia algeriensis (Desf.) extracts: a promising natural agent against clinical bacterial isolates and pathogenic fungi

Salvia species are emerging as promising therapeutic agents due to their diverse bioactivity against various pathologies. This study was conducted to investigate the phytochemical profile, antimicrobial activity, and acute Toxicity of hydromethanolic extracts from Salvia algeriensis (Desf.) leaves, flowers, and roots. Chemical reaction tests and chromatographic analysis were employed to determine the chemical composition, while microdilution was used to determine the tested microorganisms' minimum inhibitory concentration (MIC). The acute Toxicity of the leaf extract was carried out following the rules and guidelines of OECD 425. Toxicity parameters in Swiss albino mice were evaluated after a single dose of 500 mg/kg and 2000 mg/kg. According to the preliminary phytochemical screening results, terpenoids and polyphenols (flavonoids and tannins) were found in all plant parts, but coumarins were only found in the root extract. The HPLC-DAD analysis revealed the presence of 16 phenolic compounds in varying amounts across the three extracts, of which rosmarinic acid, quercetin, caffeic acid, and 3-hydroxybenzoic acid were the most abundant. Selective antimicrobial activity was noticed, with the root extract demonstrating the most substantial effect against the two fungal strains tested. MIC values ranged from 0.3 to 10 mg/mL, and Gram-positive bacteria generally showedgreater susceptibility compared to Gram-negative bacteria. The LD50 was found to be greater than 2000 mg/kg. There were no overt clinical symptoms of Toxicity. Body weights, organ weights, and temperatures were not significantly altered, and hematological analysis showed no significant differences. Salvia algeriensis (Desf.) extracts emerge as potential candidates for natural, non-toxic antimicrobial agents. Keywords: Acute Toxicity; antimicrobial; HPLC-DAD; polyphenols; Salvia

Developing water quality and land use surrogates to predict endocrine-disrupting chemical profiles in a highly urbanized river basin

This study investigated geospatial distributions of endocrine-disrupting chemicals (EDCs) in the waters of the Dongjiang River and their associations with anthropogenic activities. Fifteen EDCs, with total concentrations in the river water of 149–2525 ng/L were detected, with bisphenol-A, 4-nonylphenol, 4-tert-octylphenol, p-hydroxybenzoic acid, and methylparaben being the five predominant EDCs. The total estrogen concentration was high downstream and significantly correlated with the spatial distribution of urban land use, wastewater discharge, population, and gross domestic product, indicating human activities have increased estrogen levels and threatened ecological health. The total risk quotient indicated a high ecological risk of estrogens to fish and a moderate to high ecological risk of personal care products to algae. Estrone, triclosan, bisphenol-A, 4-nonylphenol, and 4-tert-octylphenol were categorized as priority pollutants, which required special concern. Triclosan and triclocarban can serve as reliable chemical indicators for predicting EDC levels based on correlation analysis. The crucial factors affecting EDC levels were identified through the Mantel test and predictor importance was quantified using a multiple regression model, which can help predict occurrences and geospatial distributions of EDCs. Total phosphorus and electrical conductivity were the major predictors of EDC levels, providing promising indicators for monitoring EDCs in river water. Urban land proportion significantly affected phenolic environmental estrogens, natural estrogens, and disinfectants. In the main stream, urban population, urbanization rate, and gross domestic product influenced phenolic environmental estrogen levels. A mini-review of the global distribution of EDCs in river water revealed that income and population differences among countries affect their occurrence, suggesting socioeconomic factors should be considered to mitigate EDC pollution.

Synthesis and properties of low dielectric thermotropic liquid crystal polyarylates

In this study, a series of low dielectric liquid crystal polyarylates were designed and synthesized through the acetylation of hydroxyl-containing monomers followed by melt polycondensation with 4-hydroxybenzoic acid (HBA), 6-hydroxy-2-naphthoic acid (HNA), bisphenol A (BPA), bisphenol AF (BPAF), terephthalic acid (TA) acid and 2,3,5,6-tetrafluoroterephthalic acid (TFTA). The molar ratio of HBA to HNA was controlled at 7:3. The structures of the acetylated monomers and polyarylates were characterized using FTIR and NMR spectroscopy, while the elemental composition of the polyarylates was analysed via XPS. WAXD and POM analyses revealed that the prepared polyarylates exhibit a single crystalline form and are capable of forming liquid crystals. DSC and TGA analyses indicated that the incorporation of bisphenol-type monomers (BPA or BPAF) disrupted the regularity of the main chain, leading to a decrease in both the melting point and thermal stability. Finally, the incorporation of bulky monomers (BPA or BPAF) and fluorinated monomers (BPAF and TFTA) into polyarylates increases free volume and decreases polarization, leading to a significant reduction in the dielectric constant.