DEHP Research Articles

Environmental pollutant Di-(2-ethylhexyl) phthalate induces asthenozoospermia: new insights from network toxicology.

The global decline in sperm quality in men is closely associated with environmental exposure to the plasticizer Di-(2-ethylhexyl) phthalate (DEHP), but the molecular mechanisms underlying its induction of asthenozoospermia (AZS) remain incompletely understood. By integrating the toxicological targets of DEHP and differential genes in AZS patients, and combining machine learning, molecular docking, and dynamics simulations, this study successfully identified hub genes and signaling pathways induced by DEHP in AZS, aiming to provide new strategies for the prevention and treatment of this disease. A total of 26 toxicological targets were identified, with FGFR1, MMP7, and ST14 clearly defined as playing crucial regulatory roles in DEHP-induced AZS. This study also reveals that DEHP may induce reproductive system inflammation, affecting the proliferation and survival of reproductive cells, and subsequently impacting sperm vitality, possibly through regulating the mTORC1 pathway, TNF-α signaling via the NF-κB pathway, and MYC targets v1 pathway. Furthermore, changes in the immune microenvironment revealed the significant impact of immune status on testicular function. In conclusion, this study provides important scientific evidence for understanding the molecular mechanisms of AZS and developing prevention and treatment strategies based on toxicological targets.

Exposure to environmental doses of DEHP causes phenotypes of polycystic ovary syndrome

Globally, approximately 6–20 % of women who are of reproductive age suffer from polycystic ovary syndrome (PCOS), with environmental factors believed to be significant contributors. Di-2-ethylhexyl phthalate (DEHP) is known to be an endocrine disruptor, and is also suspected of being associated with the occurrence of PCOS, but in vivo studies to verify this association are lacking. In this study, female SD rats were exposed to DEHP at levels of 0.1, 1.0, and 10 mg/kg/d, which are comparable to daily human exposure, to explore its potential role in the development of PCOS. The findings indicated that DEHP exposure reduced ovarian and uterine coefficients, decreased accumulation of primordial follicles, increased the prevalence of atretic and cystic follicles and fibrosis in ovarian tissues, altered serum hormone levels, elevated blood glucose levels and insulin resistance, disrupted the endocrine system and resulted in significant oxidative damage in the ovarian tissues. These results imply that DEHP exposure may cause lesions resembling PCOS to develop. By analyzing the differential expression of the proteome, and using GO and KEGG enrichment analyses, we found they were mainly enriched in the metabolic pathway and in the PPAR signaling pathway. We confirmed that activation of the PPARγ signaling pathway caused by DEHP exposure, is related to the emergence of PCOS-like lesions. This research provides direct in vivo experimental evidence for the association between DEHP exposure and PCOS.

Discovering the anti-diabetic potential of pomegranate peel metabolites by examining molecular interplay with the thioredoxin-interacting protein.

Medicinal plants like Punica granatum (pomegranate) have traditional uses against diabetes, inflammation and other diseases. The study was initiated to get an insight into the interaction tendency of P. granatum derived compounds with diabetes associated human thioredoxin-interacting protein (TXNIP). High glucose in diabetes induces production of TXNIP resulting in β-cells apoptosis. Its inhibition might reduce the diabetes incidence. To elucidate the therapeutic potential of P. granatum peel against diabetes through GC-MS based identification of extracted compounds followed by application of computational algorithms. P. granatum peel extracts were screened for antioxidant, anti-inflammatory, anti-diabetic, antimicrobial and wound healing properties. Phytochemical and GC-MS based analysis were performed to identify the bioactive compounds. Molecular docking analysis was performed by Auto Dock Vina to predict the binding tendency of P. granatum derived compounds with TXNIP. The peel exhibited antioxidant, anti-inflammatory and anti-diabetic activities, which were attributed to phytochemicals like phenols, tannins and steroids. GC-MS analysis identified 3,5-octadien-2-one, 1H-pyrrole -2,5-dione, Beta-D-lyxofuranoside, 5-O-(beta-D-lyxofuranosyl)-decyl, diethyl phthalate, 9-octadecenoic acid (Z)-, methyl ester, hexadecanoic acid, methyl ester, n-hexadecanoic acid, tetradecane, 2,6,10-trimethyl, bis (2-ethylhexyl) phthalate, decane, 3,8-dimethyl, 9-octadecenoic acid (Z)-, methyl ester and bis (2-ethylhexyl) phthalate in P. granatum peel extracts. Docking analysis revealed high binding affinities of bis (2-ethylhexyl) phthalate and 9-octadecenoic acid with TXNIP i.e., -4.5 and -5.0 kcal/mol, respectively, reflecting these compounds as potent antidiabetic agents. This study validates the traditional uses of P. granatum peel and demonstrates how computational approaches can uncover pharmacologically active phytochemicals. The results suggest P. granatum peel is a promising source of novel therapeutics against diabetes, inflammation, and oxidation. Further studies on the optimization of identified ligands are warranted.

Identification and screening of priority pollutants in printing and dyeing industry wastewater and the importance of these pollutants in environmental management in China

At present, priority pollutants in printing and dyeing wastewater have attracted increasing attention, but their types and limits in the wastewater discharge standards for China's dyeing and finishing industry are still lacking. This study selected 9 printing and dyeing enterprises in a region of Zhejiang Province as the research objects. Through literature collection, field investigations, and chemical analysis, combined with industry priority pollutant screening technology, 103 and 21 characteristic pollutants were selected as preliminary and supplementary lists of priority pollutants, respectively. The results of the pollutant category analysis revealed that 55% of the pollutants on the preliminary list included carcinogens, and 29% of the pollutants on the supplementary list included alcohols. According to the four rules for in-depth screening, a total of 23 indicators (excluding those in GB 4287-2012 and its revised versions) were selected as the final list of priority pollutants, most of which were polycyclic aromatic hydrocarbons (PAHs) but also included a small number of lipid substances, such as bis (2-ethylhexyl) phthalate. The screening of these indicators not only provides data support for the expansion of water pollution control indicators and the determination of their limits in China's printing and dyeing industry, but also promotes the supplementation and improvement of the sewage discharge standard system in related industries.

Quantitative filter forensics for allergens and semivolatile organic compounds in residential buildings in Toronto, Canada

Quantitative filter forensics (QFF) is a method for estimating the time-averaged concentration of particle-bound containments using filter metadata and its extracted dust. In this study, QFF was applied to dust samples extracted from four types of HVAC filters deployed in 20 homes from December 2016 to December 2017 in Toronto, Canada. The analysis covered six allergens, eight phthalates, and 12 polycyclic aromatic hydrocarbons (PAHs). The allergen results from four homes showed elevated concentrations of cat and dog allergens (Fel d 1 and Can f 1) in homes with cats or dogs. All eight phthalates were detected, dominated by diisononyl phthalate (DiNP) and bis(2-ethylhexyl) phthalate (DEHP), with median concentrations of 4.27 ng/m³ and 4.20 ng/m³, respectively. All PAHs, except anthracene, were detected in over 50 % of the homes, with benzo[a]pyrene being the most abundant (median concentration of 0.067 ng/m³). Median concentrations of all semivolatile organic compounds (SVOCs) were lower in winter 2016 compared to spring 2017, potentially due to losses of more volatile SVOCs from filters because of higher filtration volumes in winter, in addition to differences in sources and ventilation rates. All phthalate and most PAH concentrations were one to two orders of magnitude lower compared to those found from QFF in apartments in Toronto social housing multi-unit residential buildings (MURB), indicating those with lower socio-economic status (SES) were exposed to higher SVOC concentrations. Occupant density was positively related to most phthalate and specific PAH concentrations, while environmental factors including room temperature, relative humidity, and supply air temperature were not.

Di(2-ethylhexyl) phthalate exposure aggravates hypoxia/reoxygenation injury in cerebral endothelial cells by downregulating epithelial cadherin expression.

Di-(2-ethylhexyl) phthalate (DEHP) is a widely used plasticizer that has adverse health effects. Most phthalates exhibit reproductive toxicity and are associated with diseases such as cardiovascular disorders. However, the effect of DEHP exposure on acute hypoxia/reperfusion injury remains unknown. Therefore, we assessed whether hypoxia/reperfusion injury is aggravated by exposure to DEHP and investigated plausible underlying mechanisms, including oxidative stress and expression of cyclooxygenase-2 (COX-2)/prostaglandin E2 (PGE2) and endothelial junctional proteins. bEnd.3 cells were exposed to DEHP and subsequently subjected to oxygen-glucose deprivation (OGD). Cell viability was analyzed using 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium (MTS) proliferation assay. The effect of DEHP/OGD/reoxygenation (R) was evaluated by assessing the levels of NO, reactive oxygen species (ROS), and PGE2. The expression of COX-2, cleaved caspase-3, cleaved PARP, inducible nitric oxide synthase (iNOS), and the endothelial tight junction proteins claudin-5 and ZO-1 was evaluated using quantitative polymerase chain reaction and western blotting. OGD/R decreased cell viability, and DEHP exposure before OGD/R further aggravated cell viability. DEHP/OGD/R significantly increased NO, PGE2, and ROS production following OGD/R. In the DEHP/OGD/R group, iNOS, COX-2, cleaved caspase-3, and cleaved PARP expression increased, and claudin-5 and ZO-1 levels decreased compared with those in the OGD/R group. E-Cadherin expression decreased significantly after DEHP/OGD/R exposure compared with that after OGD/R; this decrease in expression was recovered by treatment with the COX-2 inhibitor indomethacin and antioxidant N-acetylcysteine. Exposure to DEHP exacerbated hypoxia-reoxygenation injury. The enhanced damage upon DEHP exposure was associated with increased oxidative stress and COX-2 expression, leading to E-cadherin downregulation and increased apoptosis.

Effect of mixed metal oxide‐based catalysts for the removal of hydrophobic phthalates from water

AbstractContaminants of emerging concern (CECs) such as phthalic acid esters (PAEs) are ubiquitous, toxic and persistent in aquatic environments. Current study explored mixed metal oxide catalysts derived from magnesium aluminium (MAH), magnesium aluminium ruthenium (MAR‐H), magnesium aluminium nickel (MANH) hydroxides and copper aluminium hydroxides of ammonium (CAM‐Am) and sodium molybdate (CAM‐Na) to remove dibutyl phthalate (DBP) and di‐2‐ethyl hexyl phthalate (DEHP) from water. Powder X‐ray diffraction (XRD) studies of the catalysts before and after the treatment showed that their structures were stable and robust. During Fourier Transform Infrared (FTIR) studies, vibrational bands or peaks of ester and alkane functional groups of DBP and DEHP were observed at all the catalysts after treatment. Thermogravimetric analysis (TGA) confirmed phthalate adsorption at the five catalysts. Hydrolysis of DBP and DEHP was observed during treatment using CAM‐Am and CAM‐Na that was analysed and quantified using total organic carbon (TOC), high performance liquid chromatography (HPLC) and high‐resolution mass spectrometry (HRMS). From TOC analyses, optimal conditions of 500 mg L−1 catalyst dosage and 30 h treatment time were deduced for catalytic hydrolysis of DBP and DEHP. Present study illustrated that the catalysts MAH and MANH can adsorb PAEs while CAM‐Na can adsorb and hydrolyse them.

Whole-cell biocatalysis for phthalate esters biodegradation in wastewater by a saline soil bacteria SSB-consortium

Phthalic acid esters (PAE) are widely used as plasticizers and have been classified as ubiquitous environmental contaminants of primary concern. PAE have accumulated intensively in surface water, groundwater, and wastewaters; thus, PAE degradation is essential. In the present study, the ability of a saline soil bacteria (SSB)-consortium to degrade synthetic wastewater-phthalates with alkyl chains of different lengths, such as diethyl phthalate (DEP), di-n-butyl phthalate (DBP), benzyl butyl phthalate (BBP), and di (2-ethylhexyl) phthalate (DEHP) was characterized. A central composite design-response surface methodology was applied to optimize the degradation of each phthalate, where the independent variables were temperature (21–41 °C), pH (5.3–8.6) and PAE concentration (79.5–920.4 mg L−1), and Gas Chromatography-Mass Spectrometry was used to identify the metabolites generated during phthalate degradation. Optimal conditions were 31 °C, pH 7.0, and an initial PAE concentration of 500 mg L−1, where the SSB-consortium removed 84.9%, 98.47%, 99.09% and 98.25% of initial DEP, DBP, BBP, and DEHP, respectively, in 168h. A first-order kinetic model explained - the biodegradation progression, while the half-life of PAE degradation ranged from 12.8 to 29.8 h. Genera distribution of the SSB-consortium was determined by bacterial meta-taxonomic analysis. Serratia, Methylobacillus, Acrhomobacter, and Pseudomonas were the predominant genera; however, the type of phthalate directly affected their distribution. Scanning electron microscopy analysis showed that high concentrations (1000 mg L−1) of phthalates induced morphological alterations in the bacterial SSB-consortium. The metabolite profiling showed that DEP, DBP, BBP, and DEHP could be fully metabolized through the de-esterification and β-oxidation pathways. Therefore, the SSB-consortium can be considered a potential candidate for bioremediation of complex phthalate-contaminated water resources.

Occurrence, distribution and risk assessment of phthalate esters in dust deposited in the outdoor environment of Yazd industrial park using Monte Carlo simulation

In this study, the distribution of eight phthalate esters (PAEs), namely (dimethyl phthalate (DMP), diethyl phthalate (DEP), di-n-butyl phthalate (DBP), butyl benzyl phthalate (BBP), bis (2-ethylhexyl) phthalate (DEHP), and di-n-octyl phthalate (DnOP)) were examined across fifteen sampling stations in Yazd industrial Park. All the PAEs in dust deposited in the outdoor environment were analyzed using a Gas-mass chromatography (GC-MS/MS) device. Both probabilistic and deterministic approaches were utilized to assess the non-carcinogenic and carcinogenic health risks for adult occupational population groups. These risks were associated with three exposure pathways: inhalation, ingestion, and dermal exposure to six phthalates in the dust samples. The findings revealed, among the fifteen sampling stations, highest and lowest concentrations of the PAEs in dust deposited in the outdoor environment were observed in S8 and S6, with BEHP (326.21 ± 4.35) μg/g and DMP (0.00 ± 0.02) μg/g, respectively. The total hazard index (HI) values were below one in all samples, indicating that the combined non-carcinogenic health risk from exposure to phthalates via inhalation, ingestion, and dermal pathways is within acceptable levels in each studied area. The total cancer risk (CR) values for BBP across all exposure routes were consistently low, with magnitudes ranging from 10- x 10−15to 10 x 10−11. The order of cancer risk from phthalate exposure in outdoor environments was ingestion > dermal > inhalation. The sensitivity analysis (SA) results indicated that the influential parameters in the carcinogenic risk in adult occupational population groups were concentration for inhalation and dermal pathways, as well as ingestion rate for the ingestion pathway. The result of this study provides new insight in to PAEs pollution and risk assessments related to the dust deposited in the outdoor environment of industrial Park. Furthermore, this finding is beneficial to the controlling the exposure and promoting steps to reduce PAEs contamination and manage health in the industrial area.

Root-associated bacterial communities of vegetable Brassica parachinensis enrich pollutant-degrading taxa and functions for enhancing phthalate dissipation

Soil pollution by organic contaminants like phthalates (PAEs) significantly impacts root-associated microbial community and soil health. However, the rhizosphere effects of different vegetable cultivars on root-associated bacterial communities and their effects on PAE degradation in rhizosphere are not well uncovered. Here, two cultivars (i.e., Huaguan and Lvbao) of vegetable Brassica parachinensis significantly enhanced the dissipation of di-(2-ethylhexyl) phthalate (DEHP) in rhizosphere (higher by 23.9 % - 86.8 % compared with bulk soil). PERMANOVA tests demonstrated that the bacterial community structure was significantly impacted by niche variation and DEHP pollution, but not by vegetable genotypes, with significant gradient divergences along bulk soil to (far-) rhizosphere to rhizoplane. Niche variation and DEHP pollution also remarkably influenced the ecological networks of bacterial communities in soil-root continuum with high proportions of positive microbial interaction. Furthermore, rhizosphere and DEHP pollution significantly enriched PAE-degrading functions and bacteria (e.g., Aeromicrobium and TM7a, as keystone taxa), which is beneficial for enhancing DEHP degradation. Meanwhile, metagenomic binning identified various bacterial families such as Chitinophagaceae and Nocardioidaceae capable of degrading PAEs in rhizosphere, which may play important roles in PAE biodegradation through cooperation and co-metabolism. This study advances our understandings on the promotion of vegetables for PAE removal in rhizosphere and its related mechanisms.

Associations between Urinary Phthalate Metabolites with BDNF and Behavioral Function among European Children from Five HBM4EU Aligned Studies.

Based on toxicological evidence, children's exposure to phthalates may contribute to altered neurodevelopment and abnormal regulation of brain-derived neurotrophic factor (BDNF). We analyzed data from five aligned studies of the Human Biomonitoring for Europe (HBM4EU) project. Ten phthalate metabolites and protein BDNF levels were measured in the urine samples of 1148 children aged 6-12 years from Italy (NACII-IT cohort), Slovakia (PCB-SK cohort), Hungary (InAirQ-HU cohort) and Norway (NEBII-NO). Serum BDNF was also available in 124 Slovenian children (CRP-SLO cohort). Children's total, externalizing and internalizing behavioral problems were assessed using the Child Behavior Checklist at 7 years of age (only available in the NACII-IT cohort). Adjusted linear and negative binomial regression models were fitted, together with weighted quantile sum (WQS) regression models to assess phthalate mixture associations. Results showed that, in boys but not girls of the NACII-IT cohort, each natural-log-unit increase in mono-n-butyl phthalate (MnBP) and Mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) was cross-sectionally associated with higher externalizing problems [incidence rate ratio (IRR): 1.20; 95% CI: 1.02, 1.42 and 1.26; 95% CI: 1.03, 1.55, respectively]. A suggestive mixture association with externalizing problems was also observed per each tertile mixture increase in the whole population (WQS-IRR = 1.15; 95% CI: 0.97, 1.36) and boys (IRR = 1.20; 95% CI: 0.96, 1.49). In NACII-IT, PCB-SK, InAirQ-HU and NEBII-NO cohorts together, urinary phthalate metabolites were strongly associated with higher urinary BDNF levels, with WQS regression confirming a mixture association in the whole population (percent change (PC) = 25.9%; 95% CI: 17.6, 34.7), in girls (PC = 18.6%; 95% CI: 7.92, 30.5) and mainly among boys (PC = 36.0%; 95% CI: 24.3, 48.9). Among CRP-SLO boys, each natural-log-unit increase in ∑DINCH concentration was associated with lower serum BDNF levels (PC: -8.8%; 95% CI: -16.7, -0.3). In the NACII-IT cohort, each natural-log-unit increase in urinary BDNF levels predicted worse internalizing scores among all children (IRR: 1.15; 95% CI: 1.00, 1.32). Results suggest that (1) children's exposure to di-n-butyl phthalate (DnBP) and di(2-ethylhexyl) phthalate (DEHP) metabolites is associated with more externalizing problems in boys, (2) higher exposure to DINCH may associate with lower systemic BDNF levels in boys, (3) higher phthalate exposure is associated with higher urinary BDNF concentrations (although caution is needed since the possibility of a "urine concentration bias" that could also explain these associations in noncausal terms was identified) and (4) higher urinary BDNF concentrations may predict internalizing problems. Given this is the first study to examine the relationship between phthalate metabolite exposure and BDNF biomarkers, future studies are needed to validate the observed associations.

Contamination of Phthalic Acid Esters (PAEs) in Surface Sediment Samples Collected from Rao Cai River in Ha Tinh, Vietnam

In this report, the solid phase extraction technique combined with the gas chromatography-mass spectrometry method (GC-MS) was optimized to determine the contamination of nine phthalic acid esters (PAEs) in the surface sediment samples collected from Rao Cai River in Ha Tinh, Vietnam. The method detection limits (MDLs) were from 2.0 to 6.0 ng/g-dry weight (ng/g-dw). The recoveries of surrogate standards (PAE-d4) in both blank and real samples ranged from 79.6 to 94.3% (RSD < 8.7%). The total concentration of PAEs in the surface sediment samples was in the range of 72.4-1390 ng/g-dw (mean/median: 561/552 ng/g-dw). Among PAEs, di-(2-ethyl)hexyl phthalate (DEHP) was detected at the highest level in all samples. In contrast, dimethyl phthalate (DMP), diethyl phthalate (DEP), and dipropyl phthalate (DPP) were found at low frequency and concentration. Moreover, the risk quotient of PAEs in sediments was estimated based on the measured concentrations. Diisobutyl phthalate (DiBP) posed a medium risk for fish.

Toxicological effects of di(2-ethylhexyl)phthalate on dandelions: Insights into physiological, metabolic, and molecular docking perspectives

Di(2-ethylhexyl)phthalate (DEHP) is one of the most widely used plasticizers in plastic manufacturing. However, the toxicological effects of DEHP on dandelions remain poorly understood. This study comprehensively analyzed and explored the response mechanisms of dandelions to 1, 10, 50, and 100 mg L−1 DEHP influencing the morphophysiological growth, metabolomics, and molecular docking. DEHP reduced chlorophyll synthesis, inhibited plant growth, and induced oxidative-state-associated stress, which was manifested by the excessive production of reactive oxygen species, an increase in antioxidant enzyme activities, and enhanced synthesis of some osmoregulatory compounds, including proline and soluble protein. An analysis of the integrated biological response index showed that the toxicity was dose-dependent. Molecular docking demonstrated that DEHP could bind stably to three enzymes, and the binding energy was peroxidase (POD) > catalase (CAT) > superoxide dismutase (SOD). Metabolomics revealed that metabolite abundance and metabolic pathways were altered by DEHP, with 88 and 72 primary metabolites identified in shoots and roots, respectively. Amino acid, sugar, and organic acid metabolism were severely disturbed, with the most significant effects being on carbohydrate metabolism, valine, leucine, and isoleucine biosynthesis. Our study elucidated the influence of DEHP exposure on dandelions, providing new insights into the toxicity mechanisms and toxicological risk assessment.

Preparation and performance control of ultra-low near-infrared reflectivity coatings with super-hydrophobic and outstanding mechanical properties

The development of ultra-low near-infrared reflectivity coatings with outstanding engineering properties remains a challenge in laser stealth materials research. Herein, we reported a laser stealth coating with outstanding mechanical properties, super-hydrophobicity, and an ultra-low near-infrared reflectivity for 1.06 μm wavelength. The effects of the mass ratio of graphene to nano-SiO2, the proportion of total filler, the addition of KH560, the mass ratio of Polydimethylsiloxane (PDMS) to acrylic-modified polyurethane (APU), and the addition of dioctyl phthalate (DOP) on the coating properties were thoroughly discussed. The coating can achieve a low reflectivity of 9.3% at 1.06 μm and a high water contact angle of 152° at a mass ratio of 7:3 for PDMS to APU and 6:4 for graphene to nano-SiO2 with a total filler amount of 40 wt%. KH560 can play a bridging role between the blended resin matrix and nano-SiO2, which can significantly improve the impact strength of the coating. The DOP, which contains a polar ester group and a non-polar carbon chain structure, can be inserted between the molecular chains of the resin to weaken the intermolecular force of the resin, so that the flexibility of the coating can be significantly improved. Adding KH560 at 4 wt% and DOP at 1 wt%, resulted in a coating with ultra-low near-infrared reflectivity of 1.06 μm (9.3%), super-hydrophobic properties, outstanding adhesion strength (grade 2), flexibility (2 mm), and impact strength (50 kg cm). The above super-hydrophobic ultra-low near-infrared reflectivity coating has significant potential for use in the field of laser stealth equipment, and it can serve as a useful reference for optimizing the mechanical properties of super-hydrophobic functional coatings.

Isolation and Partial Characterization of 11-Octadecenoic Acid Methyl Ester and Bis (2-ethylhexyl) Phthalate from Celtis integrifolia Lam

Introduction: Celtis integrifolia Lam is a traditional medicinal plant used as a remedy for the cure of diarrhea, measles, bleeding, ecbolic, sore throat and as an antinociceptive agent. Aim: The study was aimed at the isolation and partial characterization of phytocompounds from Celtis integrifolia crude extract. Methodology: The stembark sample was powdered and extracted using maceration technique with methanol. The extract was filtered using cotton wool and clarified using Whatmann No.1 filter paper. The filtrate was concentrated on a rotavapor at 45oC. The crude extract was then reconstituted in water and partitioned successively with n-hexane, ethyl acetate, and n-butanol. The ethyl acetate and the n-hexane fractions were concentrated and subjected to purification on column chromatography. Results: Gradient elution of extract fractions on open-column chromatography yielded two compounds coded CiL1 and CiL2 from the n-hexane and ethyl acetate fractions respectively. The isolated compounds were characterized using spectroscopic data from Fourier transform infrared (FT-IR) spectroscopy, proton nuclear magnetic resonance (1H NMR) spectroscopy, gas chromatography-mass spectrometry (GC-MS) and literature database. Compound CiL1 with Rf = 0.43 in hexane: Ethyl acetate (9:1) was identified as 11-Octadecenoic acid methyl ester while Compound CiL2 isolated from ethyl acetate fraction as a yellow substance with Rf = 0.38 in hexane: ethyl acetate (8:2) was identified as bis (2-ethylhexyl) phthalate. Conclusion: The study showed the presence of 11-octadecenoic acid methyl ester and bis (2-ethylhexyl) phthalate in the stembark extract of Celtis integrifolia Lam. These two phytocompounds are reported for the first time from Celtis integrifolia Lam based on available literature. Since the presence of phytochemical substances is believed to be the basis of any observed pharmacological activity, the study therefore lends credence to the traditional medicinal uses of Celtis integrifolia Lam.

Recycling PVC with scCO2: From Soft to Rigid PVC.

This study explores using extraction with supercritical carbon dioxide to remove plasticizers from poly(vinyl chloride) (PVC), with the aim to enhance recycling processes. Experiments were performed at 100 to 500 bar with temperatures varying from 75 to 110 °C. The results show that continuous supercritical carbon dioxide efficiently removes bis(2-ethylhexyl) phthalate (DOP) from PVC with extraction efficiencies of more than 98% which resulted in PVC samples with over 99.5% purity. A process model based on the Sovová model accurately describes the extraction process. The impact of the extraction process on polymer properties and associated molecular structures like viscosity, morphology, and mechanical properties was also evaluated using gel permeation chromatography, rheology, tensile test, and scanning electron microscopy.

Exploring the anticandidal potential: Evaluating leaf extract efficacy and GC–MS metabolite profiling of Chenopodium album var. album L.

IntroductionChenopodium album var. album L., renowned as lamb's quarters, is a versatile medicinal plant, revealing its efficacy in treating various ailments. This study evaluated the in vitro antifungal activity of ethyl acetate extract of C. album var. album L. MethodsChenopodium album leaf extract demonstrated antifungal potential via the Agar well-diffusion and Broth-dilution method. Active fractions, obtained through column chromatography, were rigorously tested against Candida spp. The most potent fraction underwent detailed analysis with High-Performance Thin-Layer Chromatography (HPTLC), Gas Chromatography Mass Spectrometry (GC–MS), and Fourier-Transform Infrared Spectroscopy (FT-IR), for comprehensive characterization. ResultsThe ethyl acetate extract (EAE) exhibited significant antifungal activity, with Candida albicans being the most susceptible (inhibition zone of 14.67 ± 0.58a). Fractionation of the EAE yielded a highly active F2 fraction, which showed a remarkable zone of inhibition against C. albicans (17.50 ± 1.00a). Comprehensive examinations, including HPTLC, GC–MS, and FT-IR, identified 12 compounds in the F2 fraction, and the major compounds were Furo [2,3-c] pyridine, 2,3-dihydro-2,7-dimethyl, Bis (2-ethylhexyl) phthalate, and 2,3,4,4-Tretrapropyl-1-(trimethylsilyl)-1-(trimethylsilyloxy)-1,3-diaza-2,4-diborabutane. This study marks the first report of these 12 compounds identified from the F2 fraction of C. album. ConclusionThe present study highlights the antifungal activity of EAE and its fractions from C. album var. album that could be further explored for the selection of leads that may contribute to novel drug development.

Elucidating the mechanism of plasticizers inducing breast cancer through network toxicology and molecular docking analysis

ObjectiveThe objective of this study was to elucidate the molecular mechanisms underlying the potential contribution of commonly utilized plasticizers, including Diethyl phthalate (DEP), Dimethyl phthalate (DMP), and Dioctyl phthalate (DOP), to the pathogenesis of breast cancer. This study aimed to highlight the complex interactions between these environmental chemicals and key molecular pathways implicated in tumorigenesis. MethodsWe employed network toxicology and molecular docking techniques to analyze the interactions between plasticizers and key proteins implicated in breast cancer. Utilizing databases such as the TCGA, we performed an expression analysis of selected key genes in breast cancer tissue compared to normal controls. Enrichment analysis was conducted to identify the biological pathways associated with these genes. ResultsEnrichment analysis highlighted the association of these plasticizer-targeted genes with pathways integral to adenocarcinoma development, suggesting a broad impact of plasticizers on hormone-dependent and other forms of cancers. Subsequent expression analysis using data from the TCGA breast cancer database indicated significant upregulation or downregulation of these genes in breast cancer tissues compared to normal controls, confirming their pivotal roles in tumor biology. Furthermore, the molecular docking analysis revealed that plasticizers, including DEP, DMP, and DOP, exhibit specific binding interactions with key proteins such as MAPK1, AKT1, SRC, ESR1, and ALB, which are crucial in the regulation of breast cancer pathogenesis. ConclusionThe study provides evidence that exposure to plasticizers may influence breast cancer pathogenesis through interactions with critical proteins and signaling pathways. By employing network pharmacology, protein interactions, and molecular docking, our findings highlight the potential risks posed by plasticizers. These results underscore the need for further epidemiological and clinical research to fully understand the implications of plasticizer exposure on breast cancer risk, thus informing future preventive and therapeutic strategies.

Mechanistic Insights into Di-2-ethylhexyl Phthalate (DEHP)-Induced Metabolic Disruption: Integrating Gut Hormone Secretion and Metabolomics in Colonic Organoids

Mechanistic Insights into Di-2-ethylhexyl Phthalate (DEHP)-Induced Metabolic Disruption: Integrating Gut Hormone Secretion and Metabolomics in Colonic Organoids

Novel selection of recycled PET surrogates based on non-targeted screening of non-intentionally added substances and chemometrics

Waste PET is utilized to produce recycled PET (rPET) through bottle-to-bottle recycling in order to reduce environmental pollution. However, non-intentionally added substances (NIAS) may be generated during rPET production, potentially posing a threat to food safety. In this study, a non-target screening of 13 batches with a total of 39 rPET samples was performed using GC-QTOF-MS and 240 compounds were tentatively identified. It was worth noting that the detection of phthalate esters in rPET from China, such as bis(2-ethylhexyl) phthalate, exhibits a higher diversity (17 different types) and frequency (7.8 %–100 %) in comparison with related studies. Subsequently, based on the principles for selection of surrogates used in challenge test, seven molecular descriptors were selected as variables for compound characterization, followed by principal component analysis (PCA) for representation. Based on this analysis and referencing the EFSA and FDA surrogate suggestion lists, eight surrogates were proposed for China, namely chlorobenzene, toluene, benzophenone, bis(2-ethylhexyl) terephthalate, methyl salicylate, methyl stearate, 1-phenyldecane and phenylcyclohexane. High-throughput detection methods were developed for each surrogate with the regression correlation coefficients over 0.999, spiked recoveries ranging from 99.3-107.5 %, LODs of 0.003–2.192 ng/mL, LOQs of 0.009–7.306 ng/mL, RSD of 0.71–4.23 %, respectively. This research provides foundational data and methodological support for the evaluation of rPET challenge testing in China, offering technical support for subsequent safety assessments of rPET.