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There is growing evidence indicating the substantial contribution of man-made products to an increase in the risk of diseases of civilization. In this article, the Belgian Scientific Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) Committee gives a critical view on the working of REACH. The current regulatory framework needs to further evolve taking into account data generated using modern science and technology. There is a need for improved assessment process not only before but also after entering the market. Objectivity, transparency, and the follow-up after market access can be optimized. Additionally, no guidance documents exist for regulation of mixture effects. Further, the lengthiness before regulatory action is a big concern. Decision-making often takes several years leading to uncertainties for both producers and end users. A first proposed improvement is the implementation of independent toxicity testing, to assure objectivity, transparency, and check and improve compliance. A "no data, no market" principle could prevent access of hazardous chemicals to the market. Additionally, the introduction of novel testing could improve information on endpoints such as endocrine disrupting abilities, neurotoxicity, and immunotoxicity. An adapted regulatory framework that integrates data from different sources and comparing the outputs with estimates of exposure is required. Fast toxicology battery testing and toxicokinetic testing could improve speed of decision-making. Hereby, several improvements have been proposed that could improve the current REACH legislation. [ABSTRACT FROM AUTHOR]

In the industrial application of bacterial cellulose (BC), the yield becomes a crucial factor because it drives the selling price of BC. A Box–Behnken experimental design with three components and three levels was employed to create seventeen samples. A response surface method was then used to optimize the BC yield from the most relevant parameters, including incubation temperature, medium shaking intensity, and nitrogen supply pH. Fourier transform infrared (FTIR) analysis proved that BC was pure. By analyzing BC morphology using scanning electron microscopy (SEM), rod-like microfibrils with an average diameter of 6.5 were revealed. X-ray diffraction (XRD) tested the crystalline size and crystallinity and found 4.7 nm and 69%, respectively. Thermal transition and stability were assessed using a differential scanning calorimeter (DSC) and a thermogravimetric analyzer (TGA). For the manufacture of BC composite hydrogel, a chemical test method was used to determine the solubility of BC. This study aimed to identify the ideal circumstances for using leftover sweet lime pulp for biomedical applications to produce reasonably priced and effective BC. At 28.87 °C, 125.91 rpm shaking frequency, and 5.65 pH, a sweet lime pulp waste medium produced the highest yield of BC, three times greater than the yield in a Hestrin–Schramm medium under static circumstances. [ABSTRACT FROM AUTHOR]

The heterogeneous Fenton process is a promising technology for the removal of persistent pollutants in aqueous media. However, the development of solid catalysts that do not leach iron particles from the structure, that can be easily recovered and used in multiple reaction cycles is still a challenge. Therefore, the objective of this study was to propose the design of a new heterogeneous Fenton catalyst supported on pre-treated clinoptilolite nanoparticles with HNO3, with magnetic recovery. The zeolite was reduced to nanoparticles using a ball mill and then pre-treated with nitric acid in a reflux system. Iron particles were fixed on the support through the wet impregnation method, and the material was subjected to physicochemical characterization. The catalytic activity was tested in the degradation of the textile dye Reactive Blue (RB250) under batch conditions, and different effects were evaluated. The results showed that the modifications on the clinoptilolite support enhanced its specific surface area and pore volume, while Mössbauer results confirmed that the applied synthesis process resulted in excellent magnetic catalysts that can be easily recovered. The 15Fe/CPGT catalyst completely degraded the contaminant in 60 min, following pseudo-second-order kinetics (k = 1.14 L g−1.min−1). The reuse tests indicated the ease of removing the catalyst particles through magnetism and high catalytic performance even after eleven consecutive runs. Toxicological tests and chemical parameters such as TOC and COD confirmed the reduction of effluent toxicity. Finally, the developed magnetic Fenton catalyst is a material with high catalytic potential for application in the Fenton-like process. [ABSTRACT FROM AUTHOR]

The growing burden of expired medicines contributes to environmental contamination and landfill waste accumulation. Medicinal honey, with its non-toxic nature and potentially long shelf-life, represents a promising and underutilised therapeutic that avoids some of these issues. However, limited knowledge on how its antimicrobial properties change over time combined with a lack of reliable processes in the honey industry for measuring antimicrobial potential, hinder its clinical adoption. Using a diverse selection of 30 Australian honey samples collected between 2005 and 2007, we comprehensively evaluated their antibacterial and antifungal activity and pertinent physical and chemical properties with the aims of assessing the effect of long-term storage on activity, pinpointing factors associated with antimicrobial efficacy, and establishing robust assessment methods. Minimum inhibitory concentration (MIC) assays proved superior to the standard phenol equivalence assay in capturing the full range of antimicrobial activity present in honey. Correlations between activity and a range of physical and chemical properties uncovered significant associations, with hydrogen peroxide, antioxidant content, and water activity emerging as key indicators in non-Leptospermum honey. However, the complex nature and the diverse composition of honey samples precludes the use of high-throughput chemical tests for accurately assessing this activity, and direct assessment using live microorganisms remains the most economical and reliable method. We provide recommendations for different methods of assaying various honey properties, taking into account their accuracy along with technical difficulty and safety considerations. All Leptospermum and fourteen of seventeen non-Leptospermum honey samples retained at least some antimicrobial properties after 15–17 years of storage, suggesting that honey can remain active for extended periods. Overall, the results of this study will help industry meet the growing demand for high-quality, medicinally active honey while ensuring accurate assessment of its antimicrobial potential. [ABSTRACT FROM AUTHOR]

Background: Mortality related to opioid overdose in the U.S. has risen sharply in the past decade. In California, opioid overdose death rates more than tripled from 2018 to 2021, and deaths from synthetic opioids such as fentanyl increased more than seven times in those three years alone. Heightened attention to this crisis has attracted funding and programming opportunities for prevention and harm reduction interventions. Drug checking services offer people who use drugs the opportunity to test the chemical content of their own supply, but are not widely used in North America. We report on qualitative data from providers and clients of harm reduction and drug checking services, to explore how these services are used, experienced, and considered. Methods: We conducted in-depth semi-structured key informant interviews across two samples of drug checking stakeholders: "clients" (individuals who use drugs and receive harm reduction services) and "providers" (subject matter experts and those providing clinical and harm reduction services to people who use drugs). Provider interviews were conducted via Zoom from June-November, 2022. Client interviews were conducted in person in San Francisco over a one-week period in November 2022. Data were analyzed following the tenets of thematic analysis. Results: We found that the value of drug checking includes but extends well beyond overdose prevention. Participants discussed ways that drug checking can fill a regulatory vacuum, serve as a tool of informal market regulation at the community level, and empower public health surveillance systems and clinical response. We present our findings within three key themes: (1) the role of drug checking in overdose prevention; (2) benefits to the overall agency, health, and wellbeing of people who use drugs; and (3) impacts of drug checking services at the community and systems levels. Conclusion: This study contributes to growing evidence of the effectiveness of drug checking services in mitigating risks associated with substance use, including overdose, through enabling people who use and sell drugs to test their own supply. It further contributes to discussions around the utility of drug checking and harm reduction, in order to inform legislation and funding allocation. [ABSTRACT FROM AUTHOR]

Molecular rings of N carbon atoms (cyclo[N]carbons, or CN) are excellent benchmarking systems for testing quantum chemical theoretical methods and valuable precursors to other carbon-rich materials. Odd-N cyclocarbons, which have been elusive to date, are predicted to be even less stable than even-N cyclocarbons. We report the on-surface synthesis of cyclo[13]carbon, C13, by manipulation of decachlorofluorene with a scanning probemicroscope tip. We elucidated the properties of C13 by experiment and theoretical modeling. C13 adopts an open-shell configuration with a triplet ground state and a kinked geometry, which shows different extents of distortion and carbene localization depending on themolecular environment. Moreover, we prepared and characterized the C13 dimer, cyclo[26]carbon, demonstrating the potential of cyclocarbons and their precursors as building blocks for carbon allotropes. [ABSTRACT FROM AUTHOR]

Bio-fillers are intensively studied for advanced polymer composite circular design and production. In this context, the algal biomass may be considered an important and relatively low-cost resource, when harvested as a by-product from wastewater treatment plants. The biomass of the algal species Chlorella vulgaris is frequently used in this type of environmental process, and its macro constituents' composition ranges from around 15–25% carbohydrates, 10–20% lipids, and 50–60% proteins. Poly (styrene-butadiene-styrene) (SBS) copolymers have a matrix composed of glassy polystyrene domains connected by flexible polybutadiene segments. Although the physical-mechanical properties of SBS copolymers recommend them for many industrial applications, they have the drawback of low biodegradability. This study aimed to assess the aerobic biodegradability of polymer composites by integrating biomass from Chlorella vulgaris at varying mass percentages of 5, 10, and 20% into SBS copolymer composites. Biodegradation tests were conducted under industrial composting conditions (58 °C and 50% relative humidity) for 180 days. The biodegradability of materials was evaluated by measuring the CO2 produced in each vessel during the study period. Potential correlations between the amount of carbon dioxide released and the percentage of biomass added to the polymer matrix were examined. Structural and morphological changes were assessed using Fourier Transform infrared spectroscopy (FTIR), thermal analysis (DSC), and scanning electron microscopy (SEM). Physical and chemical testing revealed a decrease in sample density after the industrial composting test, along with noticeable changes in melt flow index (MFI). The observed physical and chemical changes, coupled with FTIR, SEM, and DSC data, indicate increased cross-linking and higher porosity in biodegraded polymer structures with higher biomass content. This behavior is likely due to the formation of cross-linked connections between polymer chains and polypeptide chains resulting from protein degradation, enhancing connections between polystyrene units facilitated by peptide bonds with the benzene units of the styrene blocks within the polymer matrix. [ABSTRACT FROM AUTHOR]

Carbonate reservoirs hold vast oil reserves, but their complex properties make traditional enhanced oil recovery (EOR) methods challenging. This study explores the application of low-salinity water flooding (LSWF) as a novel EOR method for India's largest offshore carbonate oil field. Conventional EOR techniques were deemed unsuitable due to reservoir heterogeneity, pressure decline, high temperature, and the offshore location. Favorable factors for LSWF included successful seawater flooding history, medium-weight crude oil, and existing infrastructure. Following core flooding experiments demonstrating a 6–16% increase in oil recovery, a multi-pronged evaluation process was implemented. Single-well chemical tracer tests (SWCTT) and reservoir simulations confirmed the potential of LSWF. A specific target area was chosen based on reservoir characteristics, production data, and available facilities. Simulations predicted a 1.5% incremental oil recovery using diluted seawater (25% salinity) at 30% pore volume injection. After a positive techno-economic analysis, the first offshore LSWF project in India was completed within 3 years. Initial monitoring results are encouraging. This study highlights the successful journey of LSWF from concept to field deployment in a challenging carbonate reservoir, showcasing its potential for revitalizing such fields. Furthermore, this work provides valuable data relevant to Indian offshore environments, where factors like salinity, mineralogy, and crude oil composition pose unique challenges compared to other LSWF applications. These detailed data fill a critical gap in the existing literature. [ABSTRACT FROM AUTHOR]

The oxidation of carbon in conventional gas diffusion electrodes is a limiting factor for the life of secondary metal-air batteries. Replacement of carbon with zeolite is a possible solution to avoid its oxidation in the gas-diffusion electrodes (GDE) and thus to increase the battery lifetime. Due to the fact that the technology provides the required number of charge/discharge cycles, it is applicable for solar energy storage. Zeolites are a large group of natural or synthetic porous aluminosilicate minerals. Their porous structure provides good gas permeability. The gas diffusion layer of the electrode must also have good hydrophobicity. To prevent leakage of electrolyte from the battery, the zeolite was mixed with an appropriate amount of polytetrafluoroethylene, and the electrode was subjected to hot pressing according to a specially developed procedure. The experiments were performed in a specially designed test cell. Its construction ensures measurements of the bifunctional gas-diffusion electrode in a half-cell configuration applying a reference hydrogen electrode. The stationary volt-ampere characteristics and impedance tests were performed on the zeolite electrodes at certain operating points. The cell was subjected to cycling at charge/discharge current ± 2 mA/cm2, respectively. The obtained experimental results show that zeolite is a suitable material for carbon substitution in secondary metal air batteries. The zeolite/polytetrafluoroethylene (PTFE) ratio needs to be optimised in order to improve the gas permeability of the gas diffusion layer without compromising hydrophobicity. [ABSTRACT FROM AUTHOR]

Objective: To investigate the clinical characteristics associated with measured gustatory dysfunction in patients with chemosensory (smell and taste) discomfort. Study design: Retrospective study. Design: Hospital‐based cohort. Setting: The clinical characteristics associated with the measured diagnosis of gustatory dysfunction were statistically analysed. Participants: Patients who underwent all the psychophysical olfactory and chemical gustatory function tests (YSK olfactory function test and chemical gustometry exam) and the subjective questionnaires between October 2021 and February 2023. Main outcome measures: YSK olfactory function test and chemical gustometry results, subjective questionnaire score about chemosensory (smell and taste) functions. The Medical records of patients who visited the smell and taste centre in a tertiary. Results: A total of 219 patients were enrolled; 180 were diagnosed as having normal gustatory function, and 39 were diagnosed as having gustatory dysfunction. Subjective recognition of gustatory function was not associated with the measured gustatory function. Age, sex, measured olfactory function and the threshold and discrimination scores for the olfactory function test were significant factors in the multivariate analysis. When the patients were further divided according to age, the threshold test scores rather than other subsets in the olfactory function test were significantly associated with measured gustatory dysfunction in patients 60 and older. Conclusion: In older adult male patients with olfactory dysfunction, gustatory function should be considered regardless of subjective gustatory dysfunction. [ABSTRACT FROM AUTHOR]

In the current work, the chemical etching process and hydrothermal method were used to create bio‐inspired superhydrophobic fluorine‐free tin oxide nanostructures on copper plates. Taguchi's experimental design was also used in investigating coating wettability characteristics based on fabrication parameters. Statistical analysis results demonstrated that the optimal superhydrophobic sample with a water contact angle of 163.40° ± 1.42° and contact angle hysteresis of 3.00° ± 0.80° could be fabricated under the following conditions: sodium hydroxide (2.00 M) as an etching solution, urea‐to‐tin chloride ratio 2.5:1, and 2.00 h reaction times. The effects of each synthesis parameter on the obtained sample's superhydrophobicity were evaluated through multiple one‐variable‐at‐a‐time experiments. Testing the chemical stability of the optimal sample revealed that it was more resistant to deterioration in an alkaline environment (8–10) than in an acidic environment (4–6). The resulting superhydrophobic sample was analyzed by a delay test for water droplets freezing on its surface to determine whether ice formed and accumulated. The created bio‐inspired honeycomb‐like nanocoating demonstrated exceptional mechanical robustness and good anti‐icing performance after 10 consecutive icing cycles. These results indicated that superhydrophobic coatings could be easily and economically produced without using fluoropolymers and silanes on aluminum substrates. [ABSTRACT FROM AUTHOR]

Background: 6-Bromo-7-[11C]methylpurine ([11C]BMP) is a radiotracer for positron emission tomography (PET) to measure multidrug resistance-associated protein 1 (MRP1) transport activity in different tissues. Previously reported radiosyntheses of [11C]BMP afforded a mixture of 7- and 9-[11C]methyl regioisomers. To prepare for clinical use, we here report an improved regioselective radiosynthesis of [11C]BMP, the results of a non-clinical toxicity study as well as human dosimetry estimates based on mouse PET data. Results: [11C]BMP was synthesised by regioselective N7-methylation of 6-bromo-7H-purine (prepared under good manufacturing practice) with [11C]methyl triflate in presence of 2,2,6,6-tetramethylpiperidine magnesium chloride in a TRACERlab™ FX2 C synthesis module. [11C]BMP was obtained within a total synthesis time of approximately 43 min in a decay-corrected radiochemical yield of 20.5 ± 5.2%, based on starting [11C]methyl iodide, with a radiochemical purity > 99% and a molar activity at end of synthesis of 197 ± 130 GBq/μmol (n = 28). An extended single-dose toxicity study conducted in male and female Wistar rats under good laboratory practice after single intravenous (i.v.) administration of unlabelled BMP (2 mg/kg body weight) revealed no test item related adverse effects. Human dosimetry estimates, based on dynamic whole-body PET data in female C57BL/6J mice, suggested that an i.v. injected activity amount of 400 MBq of [11C]BMP will deliver an effective dose in the typical range of 11C-labelled radiotracers. Conclusions: [11C]BMP can be produced in sufficient amounts and acceptable quality for clinical use. Data from the non-clinical safety evaluation showed no adverse effects and suggested that the administration of [11C]BMP will be safe and well tolerated in humans. [ABSTRACT FROM AUTHOR]

Stereolithography has emerged as a recent method in fabricating complex structures with high accuracy. Components using resin have poorer properties. The current study investigates the improvement in the properties of nano-graphite composites fabricated by the SLA technique. The properties are compared for plain resin and 0.2%, 0.5%, 1%, 3%, and 5% (w/v) of nano-graphite mixed with the UV-curable resin. Various analyses were conducted, including viscosity, UV spectroscopy, moisture content, water absorption, gel content, tensile, bending, hardness testing, and microscopic characterization. The results from the experiments showed a difference in the results of each percentage of the specimen tested, such as the specimen property, which shows that the greater the percentage of nano-graphite added (5%), the opaquer the specimen will appear and less light will be reflected. Viscosity testing shows that the greater the percentage of nano-graphite added to the resin, the greater the viscosity. UV spectroscopy testing produced information about the electronic structure and the structure of molecules, such as their composition, purity, and concentration. Observations from the moisture content analysis found that the moisture content in specimens with higher percentages of nano-graphite affected physical and mechanical properties, leading to easier warping, cracking, decreased strength, etc. Tensile and bending testing shows that the greater the percentage of nano-graphite added, the greater the effect on physical and mechanical properties, including fracture. However, certain tests did not consistently yield significant variations among specimens when different percentages of nano-graphite were added, as particularly evident in chemical resistance testing. This study offers valuable insights into the application of nano-graphite composites fabricated via the SLA method. [ABSTRACT FROM AUTHOR]

Colorectal cancer (CRC) screening reduces morbidity and mortality, but screening rates in the USA remain suboptimal. The Colorectal Cancer Control Program (CRCCP) was established in 2009 to increase screening among groups disproportionately affected. The CRCCP utilizes implementation science to support health system change as a strategy to reduce disparities in CRC screening by directing resources to primary care clinics to implement evidence-based interventions (EBIs) proven to increase CRC screening. As COVID-19 continues to impede in-person healthcare visits and compel the unpredictable redirection of clinic priorities, understanding clinics' adoption and implementation of EBIs into routine care is crucial. Mailed fecal testing is an evidence-based screening approach that offers an alternative to in-person screening tests and represents a promising approach to reduce CRC screening disparities. However, little is known about how mailed fecal testing is implemented in real-world settings. In this retrospective, cross-sectional analysis, we assessed practices around mailed fecal testing implementation in 185 clinics across 62 US health systems. We sought to (1) determine whether clinics that do and do not implement mailed fecal testing differ with respect to characteristics (e.g., type, location, and proportion of uninsured patients) and (2) identify implementation practices among clinics that offer mailed fecal testing. Our findings revealed that over half (58%) of clinics implemented mailed fecal testing. These clinics were more likely to have a CRC screening policy than clinics that did not implement mailed fecal testing (p = 0.007) and to serve a larger patient population (p = 0.004), but less likely to have a large proportion of uninsured patients (p = 0.01). Clinics that implemented mailed fecal testing offered it in combination with EBIs, including patient reminders (92%), provider reminders (94%), and other activities to reduce structural barriers (95%). However, fewer clinics reported having the leadership support (58%) or funding stability (29%) to sustain mailed fecal testing. Mailed fecal testing was widely implemented alongside other EBIs in primary care clinics participating in the CRCCP, but multiple opportunities for enhancing its implementation exist. These include increasing the proportion of community health centers/federally qualified health centers offering mailed screening; increasing the proportion that provide pre-paid return mail supplies with the screening kit; increasing the proportion of clinics monitoring both screening kit distribution and return; ensuring patients with abnormal tests can obtain colonoscopy; and increasing sustainability planning and support. [ABSTRACT FROM AUTHOR]

In a previous study, a novel human corneal-like epithelium model utilizing an immortalized human corneal epithelial cell line (iHCE-NY1) was developed as an alternative to animal models to identify chemicals not classified under the United Nations Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and was evaluated following the criteria of Test Guideline 492 of the Organization for Economic Co-operation and Development (OECD). In the present study, our aim was to establish an eye irritation test protocol using the iHCE-NY1 model to classify liquid chemicals under the GHS ocular hazard categories: no effect, no classification (No Cat.), Category 2 (Cat. 2) reversible effects, and Category 1 (Cat. 1) irreversible eye damage. The protocol involved exposing the iHCE-NY1 model to 31 liquid test chemicals for 5 min, followed by observation at post-incubation periods (PIPs) to assess recovery. Classification was based on cell viability, and histopathological findings on PIP days 7, 14, and 21. The outcomes were compared with an established database of classifications. All Cat. 1 liquid chemicals, 62.5% of No Cat., and 63.2% of Cat. 2 were correctly categorized. This study demonstrates that the iHCE-NY1 model can not only distinguish No Cat. test liquid chemicals but also differentiate between Cat. 2 and Cat. 1 liquid chemicals. [ABSTRACT FROM AUTHOR]

The present study sightsees the enhancement of photoelectrochemical (PEC) water splitting efficiency through the sensitization of ZnO nanorods (NRs) with bimetallic ZIFs, specifically Co@Zn-ZIFs metal-organic frameworks (MOFs). The incorporation of Co into Zn-ZIFs led to a stable and optically improved sensitizer for the said study. The sensitization of MOFs was carried out over different durations (6, 12, 18, and 24 h), to form the distinct ZnO/Co@Zn-ZIFs nanocomposites (NCs). The optimal NCs, obtained after 18 h of sensitization, i.e., ZnO/Co@Zn-ZIFs:18 hrs NCs exhibited a significant increase in current density of 0.62 mA/cm2 at 1.23 V vs. reversible hydrogen electrode (RHE) and a photoconversion efficiency (ABPE) of 0.071%, tripling the performance of bare ZnO NRs. This upgraded PEC performance of NCs is associated with enhanced optical properties, diminished charge transfer resistance (R CT : 44.27 Ω), high donor density (N D : 33.33 × 1026 cm−3), and active porous surface nature as verified using associated spectral/analytical tools. In addition, time series analysis (TSA) modeling was used to predict and forecast the stability associated with the optimized photoanode, which disclosed the decent stability of the photoanode over time. So present work reveals the amended PEC water splitting using an optimized ZnO/Co@Zn-ZIFs NCs having improved stability, optical characteristics, and active surface properties. [Display omitted] • Citrus limetta extract employed in ZnO NRs synthesis. • Exploring Co-doped Zn-ZIFs MOFs for enhanced composite performance. • Enhanced PEC efficiency in ZnO/Co@Zn-ZIFs:18 hrs NCs. • Time series analysis tool used to predict and forecast the stability of photoanodes. • Photoanode featuring robust surface energetics and superior optoelectrical behaviours. [ABSTRACT FROM AUTHOR]

Chemical safety testing plays a crucial role in product and pharmacological development, as well as chemoprevention; however, in vitro genotoxicity safety tests do not always accurately predict the chemicals that will be in vivo carcinogens. If chemicals test positive in vitro for genotoxicity but negative in vivo , this can contribute to unnecessary testing in animals used to confirm erroneous in vitro positive results. Current in vitro tests typically evaluate only genotoxicity endpoints, which limits their potential to detect non-genotoxic carcinogens. The frequency of misleading in vitro positive results can be high, leading to a requirement for more informative in vitro tests. It is now recognized that multiple-endpoint genotoxicity testing may aid more accurate detection of carcinogens and non-carcinogens. The objective of this review was to evaluate the utility of our novel, multiple-endpoint in vitro test, which uses multiple cancer-relevant endpoints to predict carcinogenic potential. The tool assessed micronucleus frequency, p53 expression, p21 expression, mitochondrial respiration, cell cycle abnormalities and, uniquely, cell morphology changes in human lymphoblastoid cell lines, TK6 and MCL-5. The endpoints were used to observe cellular responses to 18 chemicals within the following categories: genotoxic carcinogens, non-genotoxic carcinogens, toxic non-carcinogens, and misleading in vitro positive and negative agents. The number of endpoints significantly altered for each chemical was considered, alongside the holistic Integrated Signature of Carcinogenicity score, derived from the sum of fold changes for all endpoints. Following the calculation of an overall score from these measures, carcinogens exhibited greater potency than non-carcinogens. Genotoxic carcinogens were generally more potent than non-genotoxic carcinogens. This novel approach therefore demonstrated potential for correctly predicting whether chemicals with unknown mechanism may be considered carcinogens. Overall, while further validation is recommended, the test demonstrates potential for the identification of carcinogenic compounds. Adoption of the approach could enable reduced animal use in carcinogenicity testing. [ABSTRACT FROM AUTHOR]

The two-test in vitro battery for genotoxicity testing (Ames and micronucleus) has in the majority of cases replaced the three-test battery (as two-test plus mammalian cell gene mutation assay) for the routine testing of chemicals, pharmaceuticals, cosmetics, and agrochemical metabolites originating from food and feed as well as from water treatment. The guidance for testing agrochemical groundwater metabolites, however, still relies on the three-test battery. Data collated in this study from 18 plant protection and related materials highlights the disparity between the often negative Ames and in vitro chromosome aberration data and frequently positive in vitro mammalian cell gene mutation assays. Sixteen of the 18 collated materials with complete datasets were Ames negative, and overall had negative outcomes in in vitro chromosome damage tests (weight of evidence from multiple tests). Mammalian cell gene mutation assays (HPRT and/or mouse lymphoma assay (MLA)) were positive in at least one test for every material with this data. Where both MLA and HPRT tests were performed on the same material, the HPRT seemed to give fewer positive responses. In vivo follow-up tests included combinations of comet assays, unscheduled DNA synthesis, and transgenic rodent gene mutation assays, all gave negative outcomes. The inclusion of mammalian cell gene mutation assays in a three-test battery for groundwater metabolites is therefore not justified and leads to unnecessary in vivo follow-up testing. [ABSTRACT FROM AUTHOR]

While the spatial distribution pattern of fish is increasingly used for toxicological test of chemicals or wastewater, no ideal parameter is available for quantitative assessment of spatial distribution, especially uneven distribution with multiple hotspots. Here, to develop a quantitative assessment parameter for spatial distribution, the zebrafish were exposed to ethanol, pentylenetetrazole (PTZ), paraquat dichloride (paraquat) and wastewater, followed by a behavioral test in a narrow tank. Behavioral data was acquired and analyzed by idTracker and MATLAB. By comparing the effects of all treatments on behavior parameters, we confirmed that the spatial distribution was more easily altered rather than general locomotor parameters, e.g. 0.7–70 mg/L PTZ and 5–20 mg/L paraquat being effective for altering spatial distribution but having little effects on general locomotor parameters. Based on the heatmap, i.e., the cumulative proportion of grids and that of frequency in grids, we calculated the behavioral Gini coefficient (G b) for quantitative assessment of fish spatial distribution. The Gini coefficient ranged from zero to 1, with larger values meaning poorer evenness of spatial distribution. Of note, G b showed smaller coefficient of variations (CV) with 3%-19% between replicate tanks in all treatments than the highest frequency (4%-79%), displaying well robustness. Especially, G b addressed the challenge of the complicated heatmap with multiple hotspots. Overall, the behavioral Gini coefficient we established is an ideal parameter to quantitatively assess spatial distribution of fish shoal, which is expected to be applied in toxicity testing for chemicals and wastewater and automatic quality monitoring for surface water and aquaculture water. [Display omitted] [ABSTRACT FROM AUTHOR]

This article explores the synthesis and applications of C-2-formyl glycals, a type of sugar enol ether. The authors discuss different methods for synthesizing C-2-formyl glycals and highlight their potential applications in various fields, including catalysis, medicinal chemistry, and drug discovery. The compounds derived from C-2-formyl glycals have shown promise in treating diseases such as cancer, inflammation, and microbial infections. The authors also emphasize the importance of developing new chemical libraries and screening techniques to discover novel therapies for diseases like malaria and neurodegenerative disorders. Overall, C-2-formyl glycals offer a versatile and valuable tool in synthetic organic chemistry. [Extracted from the article]

The present work is a focus on getting selectivity of the products using intense heat and employing borax vacant orbitals for catalysis. A DC-arc-type reactor was used for the pyrolysis of waste polyethylene. The third point of its novelty is utilization of the solar energy as arc through photovoltaics and indoor use of solar energy for high-temperature heating. The combined action of high temperature, faster heating, and vacant orbital catalysis is intended for the product enhancement, selectivity of the process, and efficient management of the waste plastics. The process involves photovoltaic transformation of sunlight into electrical energy followed by storage in lead acid battery and discharge of heat in the form of arc. A graphite rod was used for the arc in the reactor. The high temperature and faster heating pyrolyzed the waste polyethylene into oil, fuel gas, and char. The reactor's efficiency was found to depend upon the rod length and time. The product gases were analyzed by chemical tests while the oil was analyzed using GC–MS. The gaseous product was highly combustible. The oil density (0.7 g/cm³ ) was found in gasoline range. The chemical tests indicated that the gas contains alkanes, alkenes, alkynes, and hydrogen gas. KEYWORDS borax-catalyzed pyrolysis, carbon filament, indoor solar heating, spark heated pyrolysis, waste polyethylene Highlights • The waste polyethylene has been transformed into oil, fuel gas and char where the pyrolysis process has been catalyzed by means of borax vacant orbitals for the formation of more selective products. • A DC arc type reactor was used for the pyrolysis process and solar energy has been utilized as arc through photovoltaics. • The product oil is comprised of very light hydrocarbons in the gasoline range [ABSTRACT FROM AUTHOR]

Integrating waste and industrial by-products into concrete is an alternative way to reduce global cement consumption, enhancing its eco-friendliness. In this context, residues with fly ash have been increasingly utilised. Considering the vulnerability of concrete with fly ash to carbonation and, at the same time, its high resistance to chlorides, it is important to investigate the behaviour of these concretes under their combined actions. For this purpose, an experimental investigation was conducted, studying mortar and concrete specimens with 40% replacement of cement with fly ash. These specimens were subjected to a combination of actions (Cl− and CO2) in two phases: initially through immersion and drying tests, and subsequently through a combination of accelerated tests. Concerning the chloride impact study, free and total chloride profiles were studied. Concerning the impact of carbonation, colourimetric and chemical tests were used. The results demonstrate a significant influence of combined action not only on chloride penetration in cement-based materials with fly ash but also on the development of a carbonation front. Exposure of cement-based materials with fly ash to environments with high Cl− and CO2 content sequentially may lead, on the one hand, to an increase in carbonation resistance. However, on the other hand, it may result in a substantial reduction in chloride penetration resistance. [ABSTRACT FROM AUTHOR]

Copper is one of the most toxic metals to fish and causes cytotoxic, mutagenic and carcinogenic effects. The accumulation of copper in an aquatic environment directly impacts man and the aquatic ecosystem. The present study aimed to determine the effect of copper sulphate (CuSO4) accumulation on the induction of micronuclei in blood and histological changes in kidney and liver of the fish Channa punctatus. The test chemical LC50 was determined after 96 hours during the first experiment. Later in the second experiment, the test animal was exposed to three sub-lethal concentrations of CuSO4 [0.1 mg/l (96 h-LC50/40), 0.2 mg/l (96 h-LC50/20) and 0.4 mg/l (96 h-LC50/10)]. Physico chemical parameters of the test medium, such as pH, temperature, hardness, alkalinity, and dissolved oxygen, were observed throughout the experiment, and all values were within the ranges necessary for the fish's survival. At intervals of 7, 14, 21, and 28 days, the control (without any test chemical) and copper sulphate exposed Groups' blood, liver, kidney, and gill tissues were taken to evaluate changes in genotoxic and histological parameters. Micronuclei (MN) induction and nuclear abnormalities (NAs) were observed at regular intervals. After 28 days, the MN frequency in Groups 1, 2, 3, and 4 was 0.78±0.006, 8.40±0.052, 10.37±0.098 and 10.90±0.024 respectively. A significant (P< 0.05) rise in MN frequencies and NAs indicated fish erythrocytes' DNA damage. Histological analysis of the liver, kidney, and gills revealed serious tissue injury such as necrosis, vacuolization, and degeneration after 28 days in the exposed Groups. The present study observed changes due to genotoxicity and histology, giving the most comprehensive understanding of CuSO4 stress on the fish C. punctatus and its risks to human health. [ABSTRACT FROM AUTHOR]

Structure-based grouping of chemicals for targeted testing and read-across is an efficient way to reduce resources and animal usage. For substances of unknown or variable composition, complex reaction products, or biological materials (UVCBs), structure-based grouping is virtually impossible. Biology-based approaches such as metabolomics could provide a solution. Here, 15 steam-cracked distillates, registered in the EU through the Lower Olefins Aromatics Reach Consortium (LOA), as well as six of the major substance constituents, were tested in a 14-day rat oral gavage study, in line with the fundamental elements of the OECD 407 guideline, in combination with plasma metabolomics. Beyond signs of clinical toxicity, reduced body weight (gain), and food consumption, pathological investigations demonstrated the liver, thyroid, kidneys (males only), and hematological system to be the target organs. These targets were confirmed by metabolome pattern recognition, with no additional targets being identified. While classical toxicological parameters did not allow for a clear distinction between the substances, univariate and multivariate statistical analysis of the respective metabolomes allowed for the identification of several subclusters of biologically most similar substances. These groups were partly associated with the dominant (> 50%) constituents of these UVCBs, i.e., indene and dicyclopentadiene. Despite minor differences in clustering results based on the two statistical analyses, a proposal can be made for the grouping of these UVCBs. Both analyses correctly clustered the chemically most similar compounds, increasing the confidence that this biological approach may provide a solution for the grouping of UVCBs. [ABSTRACT FROM AUTHOR]

Spiders may be adversely affected by pesticides, yet they are not included in regulatory risk assessment and a related standard guideline to test their sensitivity to chemicals is lacking. Different laboratory setups, including test temperature and relative humidity, have been shown to influence the sensitivity of spiders. The climate from which spiders originate and the rearing conditions in the laboratory prior to ecotoxicological testing may also alter their sensitivity to chemicals, potentially in interaction with test conditions. We investigated the influence of population origin, rearing and test temperature on the chemical sensitivity of the spider Pardosa amentata towards lambda‐cyhalothrin. We collected female P. amentata carrying egg sacs from two climates, i.e., boreal and cool temperate. Spiders were kept in the laboratory and their offspring were reared and tested at 15, 20 and 25°C. Hatching of egg sacs largely failed at 15°C, while a moderate spiderling mortality (40%) was recorded at 20°C. At 25°C, mortality increased (63%) and a faster developmental rate was observed. Rearing and test temperature had no significant effects on spider chemical sensitivity. However, spider chemical sensitivity differed between populations, with spiders from boreal climate being 38% more sensitive than spiders from cool temperate climate. A higher sensitivity towards lambda‐cyhalothrin increases the risk of population reduction in treated areas, with potential alterations of ecosystem functions such as biological control. Our results suggest that the climatic origin of test organisms deserves stronger attention in ecotoxicological research. [ABSTRACT FROM AUTHOR]

Aging of asphalt increases its hardness due to oxidation, which challenges the incorporation of higher recycled asphalt (RA) content. Waste cooking oil (WCO) is gaining attention as a rejuvenator to incorporate higher RA content in new pavements. The study evaluated the potential of WCO as a rejuvenator before and after transesterification. Rheological tests, such as frequency–temperature sweep and multiple stress creep recovery (MSCR) were conducted to assess the performance characteristics of different rejuvenated binders. Chemical tests, including asphaltene extraction, free fatty acids, transesterification, Fourier-transform infrared spectroscopy (FTIR), and nuclear magnetic resonance (NMR) were performed to corroborate the rheological findings. Based on the investigation, a new method is proposed to determine the optimum dose of WCO for binders incorporating RA, considering viscosity and rutting. The results indicated that the optimum WCO content before treatment was on average 7.03%, which was reduced to 5.73% after transesterification. This is credited to the reduction of free fatty acids by 81.7% in treated WCO after transesterification, resulting in enhanced diffusion characteristics between treated WCO and recycled asphalt pavement (RAP). The rejuvenated binder had a 49.33% lower carbonyl index (CI) than RAP and an 18.35% higher CI than unaged viscosity-graded (VG) 30, respectively, validating the potential of WCO as a rejuvenator. ANOVA analysis of asphaltene content showed no significant difference between the rejuvenated binders with their corresponding optimum WCO and unaged VG 30 contents. Overall, transesterification of WCO could be a potential solution to improve the diffusion characteristics for enhanced rejuvenation. Reclaimed asphalt can be processed and used as a component in the production of new hot-mix asphalt. It commonly is mixed with virgin asphalt binder, aggregates, and other additives to create a sustainable asphalt mixture. The inclusion of RA reduces the demand for virgin materials such as asphalt binder and aggregates, thus decreasing the environmental impact of asphalt production. The current practice permits a lower quantity of RA in asphalt mixtures due to its higher stiffness. The utilization of WCO as a rejuvenator can restore the properties of RA binder to a considerable extent. It also will result in higher RA incorporation and a sustainable solutions including, reduction in inappropriate disposal and multiple-time utilization of WCO. Hence, the utilization of RA with WCO as a rejuvenator is a novel solution for sustainability. [ABSTRACT FROM AUTHOR]

Ecotoxicological assays have traditionally focused on the effects of chemicals at the individual level by exploiting mortality and reproduction as endpoints. Although these two parameters are ecologically relevant, they rarely provide information regarding the elemental toxic mechanisms. Obviously, the number of xenobiotics used has been rapidly increased. Thus, any established measurement that shortens the actual outcome and, simultaneously provides information about toxic mechanisms is desirable. This research focused on the study of oxidative stress response as a biomarker in the eukaryotic model organism, Saccharomyces cerevisiae. For this, yeast cells were exposed to a set of selected environmentally relevant chemicals via different approaches, including cellular diagnostics, gene expression analysis and chemo-genetic screening. The results demonstrated that at the cellular level, model organisms reacted to different chemicals in distinct manner. For each xenobiotic, the correlation between toxic response of molecular and cellular levels are presented. Namely, the expression of target genes after chemical exposure affected the cellular alteration as evidenced by an elevated level of superoxide dismutase and a reduced amount of glutathione. Furthermore, the results derived from chemo-genetic screening, in which mutants lacking of gene of interest were employed, exhibited more susceptibility to test chemicals in comparison to the wildtype. The response of oxidative stress upon chemical exposure in budding yeast from this study is potentially useful for an establishment of a proper bio-test system which can eventually be linked to adverse effects at an individual level in higher eukaryotes. [Display omitted] • Six selected test chemicals induce oxidative stress in yeasts. • The concentration leading to the state of oxidative stress is lower than cytotoxic-induced concentration. • GSH content can be used as a potential oxidative stress biomarker. • Oxidative stress-based testing model is more sensitive than cytotoxicity testing. [ABSTRACT FROM AUTHOR]

Computational Medicine encompasses the application of Statistical Machine Learning and Artificial Intelligence methods on several traditional medical approaches, including biochemical testing which is extremely valuable both for early disease prognosis and long-term individual monitoring, as it can provide important information about a person's health status. However, using Statistical Machine Learning and Artificial Intelligence algorithms to analyze biochemical test data from Electronic Health Records requires several preparatory steps, such as data manipulation and standardization. This study presents a novel approach for utilizing Electronic Health Records from large, real-world databases to develop predictive precision medicine models by exploiting Artificial Intelligence. Furthermore, to demonstrate the effectiveness of this approach, we compare the performance of various traditional Statistical Machine Learning and Deep Learning algorithms in predicting individuals' future biochemical test outcomes. Specifically, using data from a large real-world database, we exploit a longitudinal format of the data in order to predict the future values of 15 biochemical tests and identify individuals at high risk. The proposed approach and the extensive model comparison contribute to the personalized approach that modern medicine aims to achieve. [ABSTRACT FROM AUTHOR]

Argentine ants Linepithema humile are one of the most damaging invasive alien species worldwide. Enhancing or disrupting cognitive abilities, such as learning, has the potential to improve management efforts, for example by increasing preference for a bait, or improving ants' ability to learn its characteristics or location. Nectar-feeding insects are often the victims of psychoactive manipulation, with plants lacing their nectar with secondary metabolites such as alkaloids and non-protein amino acids which often alter learning, foraging, or recruitment. However, the effect of neuroactive chemicals has seldomly been explored in ants. Here, we test the effects of seven potential neuroactive chemicals—two alkaloids: caffeine and nicotine; two biogenic amines: dopamine and octopamine, and three nonprotein amino acids: β-alanine, GABA and taurine—on the cognitive abilities of invasive L. humile using bifurcation mazes. Our results confirm that these ants are strong associative learners, requiring as little as one experience to develop an association. However, we show no short-term effect of any of the chemicals tested on spatial learning, and in addition no effect of caffeine on short-term olfactory learning. This lack of effect is surprising, given the extensive reports of the tested chemicals affecting learning and foraging in bees. This mismatch could be due to the heavy bias towards bees in the literature, a positive result publication bias, or differences in methodology. [ABSTRACT FROM AUTHOR]

Students attending ASM Materials Education Foundation camps are taught about and engage in various materials science and engineering concepts—including failure analysis. As part of the weeklong camp, high school students perform failure analysis on actual fractured components and present their results at the end of the camp. In this case, the students of one group were tasked with determining the failure of a commercial bed frame, which had developed visible cracks during use over 1 year. This paper will detail their results, obtained by performing optical and electron microscopy, as well as chemical and mechanical testing. Their analysis determined that poor welding design and weld practices led to fatigue cracking that would have caused a through fracture of the posts upon further use. [ABSTRACT FROM AUTHOR]

The nuchal glands are organs of chemical defense embedded under the skin of several species of Rhabdophis and contain toxins sequestered from consumed prey. Rhabdophis subminiatus possesses nuchal glands, but not much information is available on its toxin source and prey preference, particularly based on its chemosensory response. We hypothesized that the response of R. subminiatus toward toads would be higher than other potential prey because the snake needs to sequester toxins contained in toad skin. We also examined the snake preference toward several bufonid species to test a hypothesis that the preference toward Duttaphrynus melanostictus is higher than other toad species due to its high availability in the habitat of the snake. To test the hypotheses, we conducted chemical response tests and compared the tongue-flick attack score (TFAS) of the snake toward prey chemical stimuli. The first experiment used only one toad species (D. melanostictus) and various potential prey animals for the source of chemical stimuli. The second experiment used chemical stimuli from several species of frogs and toads. In the first experiment, snakes showed the highest response toward D. melanostictus. However, in the second experiment, snakes showed the highest response toward a toad, Ingerophrynus biporcatus, followed by D. melanostictus, and a lower response toward another toad, Phrynoidis asper. These results indicate that the snake has a high preference toward toads, but its preference varies among toad species. Taken together, this study suggests that R. subminiatus discriminates different potential prey chemical cues and probably consumes toads to sequester their toxins. [ABSTRACT FROM AUTHOR]

Aim: The aim of this work was to evaluate colorectal cancer (CRC) outcomes after 'low' (sub‐threshold) faecal immunochemical test (FIT) results in symptomatic patients tested in primary care. Method: This work comprised a retrospective audit of 35 289 patients with FIT results who had consulted their general practitioner with lower gastrointestinal symptoms and had subsequent CRC diagnoses. The Rapid Colorectal Cancer Diagnosis pathway was introduced in November 2017 to allow incorporation of FIT into clinical practice. The local '4F' protocol combined FIT results with blood tests and digital rectal examination (DRE): FIT, full blood count, ferritin and finger [DRE]. The outcome used was detection rates of CRC, missed CRC and time to diagnosis in local 4F protocols for patients with a subthreshold faecal haemoglobin (fHb) result compared with thresholds of 10 and 20 μg Hb/g faeces. Results: A single threshold of 10 μg Hb/g faeces identifies a population in whom the risk of CRC is 0.2%, but this would have missed 63 (10.5%) of 599 CRCs in this population. The Nottingham 4F protocol would have missed fewer CRCs [42 of 599 (7%)] despite using a threshold of 20 μg Hb/g faeces for patients with normal blood tests. Subthreshold FIT results in patients subsequently diagnosed with a palpable rectal tumour yielded the longest delays in diagnosis. Conclusion: A combination of FIT with blood results and DRE (the 4F protocol) reduced the risk of missed or delayed diagnosis. Further studies on the impact of such protocols on the diagnostic accuracy of FIT are expected. The value of adding blood tests to FIT may be restricted to specific parts of the fHb results spectrum. [ABSTRACT FROM AUTHOR]

[Display omitted] • By slow pyrolysis, pulper waste is converted into a stable, carbon-rich material. • Chemical leaching upgrades the carbon-rich solid to a fossil coal substitute. • The process enables to recover more than 90 % of Ca and Al from pulper waste. • By precipitation, a reusable Al-based flocculating agent is obtained. • Clean hydrogen is produced by the reaction between metallic Al and HCl. This work aims to investigate the potentials of integrating slow pyrolysis and chemical leaching to recycle pulper waste (PW), the waste generated by paper mills, and consists of plastics, metallic films, and biobased polymers. The concentration of chlorine and metals is a barrier against PW valorisation by combustion or high temperature thermochemical processes. In this study, PW was tested by slow pyrolysis at 400 °C and 500 °C. Chemical leaching tests were performed by processing both chars in a 1.4 M HCl solution, at 80 °C for 2 h, to remove inorganic compounds and upgrade the char to a coal-like material. Then, precipitation by NaOH was conducted on the leachate. Slow pyrolysis led to a char mass yield around 30 %. Due to the high inorganic matter concentration (almost 36 %, mainly including chlorine, calcium, and aluminium), the char retained only 25 % of the feedstock's chemical energy, while the remaining 75 % was recovered in the pyrogas. Leaching of the 500 °C pyrolysis char led to extract 93 % of aluminium, and almost 100 % of calcium and chlorine, resulting in an upgraded char containing 15.5 % ash, comparable to a fossil coal. By char leaching, the oxidation reaction of aluminium could produce 8 kg hydrogen per dry ton PW. The effectiveness of the precipitated compounds as flocculating agents was demonstrated, enabling a closed-loop recycling in the same paper mill. In conclusion, the proposed process demonstrated to be an effective solution to convert PW into high quality products. [ABSTRACT FROM AUTHOR]

This study aims to enhance the mechanical properties of additively manufactured polymer parts by incorporating ceramic particles (SiO2) into diluted urethane methacrylate (UDMA) photopolymer resin using digital light processing (DLP) technology. The resulting PUMA/SiO2 composites, featuring varying SiO2 contents (16.7, 28.5, and 37.5 wt%) and processed under different conditions, underwent a comprehensive series of mechanical, thermal, and chemical tests. Hardness tests showed that composites with 37.5 wt% SiO2 demonstrated superior hardness with low sensitivity to processing conditions. Bending tests indicated that elevated vat temperatures tended to degrade flexural properties, yet this degradation was mitigated in the case of the 37.5 wt% SiO2 composition. Tensile tests revealed a transition from viscoelastic to linear elastic behaviors with increasing SiO2 content, with high tensile strength sustained at low vat temperatures (<35 °C) when the SiO2 content exceeded 28.5 wt%. Thermogravimetric analysis supported these findings, indicating that increased SiO2 content ensured a more uniform dispersion, enhancing mechanical properties consequently. Thermal tests showed augmented thermal conductivity and diffusivity with reduced specific heat in SiO2-inclusive composites. This study provides guidelines for optimal PUMA/SiO2 composite utilization that emphasizes high SiO2 content and low vat temperature, offering comprehensive insights for high-performance ceramic composite fabrication in functional applications. [ABSTRACT FROM AUTHOR]

Extra virgin olive oil (EVOO) is a valuable product and is highly appreciated by consumers for its great nutritional value. However, to date, there has been a lack of uniform systems capable of ranking the nutritional value of EVOO based on its chemical composition in terms of macro- and micronutrients (including phenolic compounds and tocopherols). The aim of this study was to propose a scoring algorithm to rank the nutritional value of EVOO samples, considering their chemical composition in macro- and micronutrients and their sensitivity to oxidation phenomena. Data from more than 1000 EVOO samples were used to assess the variability of the data, considering the selected negative parameters (free acidity, peroxide value, spectrophotometric indices) and positive components (composition in tocopherols via HPLC-DAD, phenolic compounds via HPLC-DAD, and fatty acids via GC-MS) so as to ensure the universal validity of the scoring algorithm. The dataset included samples from the main producing countries worldwide, in addition to Australia, across several production years; data were selected to represent different production realities. A mathematical model was set up for each chemical component, resulting in six variable values. By combining these values with a dimensionless constant value, the algorithm for computing the nutritional value score (NVS) was defined. It allows the nutritional value of an oil to be ranked on a scale of 0 to 100 based on its chemical composition. The algorithm was then successfully tested using chemical data from about 300 EVOO samples obtained from laboratories from different Italian regions. The proposed NVS is a simple and objective tool for scoring the nutritional value of an EVOO, easy to understand for both producers and consumers. [ABSTRACT FROM AUTHOR]

[Display omitted] • CuFeS 2 -DMST nanocomposite was synthesized via hydrothermal method. • CuFeS 2 -based nanocomposites showed high photocatalytic activities. • Persulfate-based systems were most effective than photocatalytic systems. • O 2 ●- and h+ were the main ROSs for SMX degradation. Sulfamethoxazole (SMX) is a prevalent sulfonamide antibiotic found in the environment, and it has a variety of detrimental effects on environmental sustainability and water safety. Recently, the combination of photocatalysis and sulfate radical-based advanced oxidation processes (SR-AOPs) has attracted a lot of interest as a viable technique for degradation of refractory pollutants. In this study, a visible light active CuFeS 2 supported on dendritic mesoporous silica-titania (CuFeS 2 -DMST) photocatalyst was synthesized to improve the ability of TiO 2 to activate persulfate (PS) by introducing CuFeS 2 (Fe2+/Fe3+, Cu+/Cu2+ redox cycles). The CuFeS 2 -DMST/PS/Vis system demonstrated superior SMX degradation efficiency (88.9%, 0.0146 min−1) than TiO 2 because of reduced e-/h+ recombination, excellent charge separation and mobility, and a greater surface area than TiO 2. Furthermore, after four consecutive photocatalytic cycles, the system demonstrated moderate stability. From chemical quenching tests, O 2 ●-, h+, 1O 2 , SO 4 ●- and ●OH were found to be the main reactive oxidizing species. The formed intermediates during the degradation process were identified, and degradation mechanisms were proposed. This study proposes a viable technique for activating PS using a low-cost, stable, and high-surface-area TiO 2 -based photocatalyst, and this concept can be applied to design photocatalysts for water treatment. [ABSTRACT FROM AUTHOR]

Timolol (TIM) is a non-selective ß-adrenergic receptor antagonist used orally for the treatment of hypertension and heart attacks, and topically for treating glaucoma; lately, it has also been used in some specific dermatological problems. In the present study, its photodegradation and potential risk of phototoxicity were examined using chemical, in silico and in vitro methods. The UV/VIS irradiated solutions of TIM at pH 1–13 were subjected to LC-UV and UPLC-HRMS/MS analyses showing pseudo first-order kinetics of degradation and several degradation products. The structures of these photodegradants were elucidated by fragmentation path analysis based on high resolution (HR) fragmentation mass spectra, and then used for toxicity evaluation using OSIRIS Property Explorer and Toxtree. Potential risk of phototoxicity was also studied using chemical tests for detecting ROS under UV/VIS irradiation and in vitro tests on BALB/c 3T3 mouse fibroblasts (MTT, NRU and Live/Dead tests). TIM was shown to be potentially phototoxic because of its UV/VIS absorptive properties and generation ROS during irradiation. As was observed in the MTT and NRU tests, the co-treatment of fibroblasts with TIM and UV/VIS light inhibited cell viability, especially when concentrations of the drug were higher than 50 µg/mL. [ABSTRACT FROM AUTHOR]

Evernia prunastri is a lichen widely distributed in the Northern Hemisphere. Its biological properties still need to be discovered. Therefore, our paper focuses on studies of E. prunastri extracts, including its main metabolites evernic acid (EA) or atranorin (ATR). Phytochemical profiles using chromatographic analysis were confirmed. The antioxidant activity was evaluated using in vitro chemical tests and in vitro enzymatic cells-free tests, namely superoxide dismutase (SOD), glutathione peroxidase (GPx), glutathione reductase (GR), and catalase (CAT). The anti-inflammatory potential using cyclooxygenase-2 (COX-2) and hyaluronidase were determined. The neuroprotective potential using acetylcholinesterase, (AChE), butyrylcholinesterase (BChE), and tyrosinase (Tyr) was estimated. The hypoglycemic activity was also confirmed (α-glucosidase). Principal component analysis was performed to determine the relationship between the biological activity of extracts. The inhibitory effect of EA and ATR on COX-2 AChE, BChE, Tyr, and α-glucosidase was evaluated using molecular docking techniques and confirmed for EA and ATR (besides α-glucosidase). The penetration of EA and ATR from extracts through the blood–brain barrier was confirmed using the parallel artificial membrane permeability assay blood–brain barrier test. In conclusion, depending on chemical surroundings and the concentration, the E. prunastri extracts, EA or ATR, showed attractive pleiotropic properties, which should be further investigated. [ABSTRACT FROM AUTHOR]

A suite of in vitro assays and in silico models were evaluated to identify which best detected the endocrine-disrupting (ED) potential of 10 test chemicals according to their estrogenic, androgenic and steroidogenic (EAS) potential compared to the outcomes from ToxCast. In vitro methods included receptor-binding, CALUX transactivation, H295R steroidogenesis, aromatase activity inhibition and the Yeast oestrogen (YES) and Yeast androgen screen (YAS) assays. The impact of metabolism was also evaluated. The YES/YAS assays exhibited a high sensitivity for ER effects and, despite some challenges in predicting AR effects, is a good initial screening assay. Results from receptor-binding and CALUX assays generally correlated and were in accordance with classifications based on ToxCast assays. ER agonism and AR antagonism of benzyl butyl phthalate were abolished when CALUX assays included liver S9. In silico final calls were mostly in agreement with the in vitro assays, and predicted ER and AR effects well. The efficiency of the in silico models (reflecting applicability domains or inconclusive results) was 43–100%. The percentage of correct calls for ER (50–100%), AR (57–100%) and aromatase (33–100%) effects when compared to the final ToxCast call covered a wide range from highly reliable to less reliable models. In conclusion, Danish (Q)SAR, Opera, ADMET Lab LBD and ProToxII models demonstrated the best overall performance for ER and AR effects. These can be combined with the YES/YAS assays in an initial screen of chemicals in the early tiers of an NGRA to inform on the MoA and the design of mechanistic in vitro assays used later in the assessment. Inhibition of aromatase was best predicted by the Vega, AdmetLab and ProToxII models. Other mechanisms and exposure should be considered when making a conclusion with respect to ED effects. [ABSTRACT FROM AUTHOR]