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The exposure of organic UV filters has been increasingly confirmed to induce adverse effects on humans. However, the critical exposure pathway and the vulnerable population of organic UV filters are not clearly identified. This paper attempts to evaluate the health risk of commonly used organic UV filters from various exposure routes based on comprehensive analysis strategy. The estimated daily intakes (EDI) and hazard quotient (HQ) values of organic UV filters through four pathways (dermal exposure, indoor dust, indoor air, and drinking water) for various age groups were determined. Although the total HQ values (0.01-0.4) from comprehensive exposure of organic UV filters were below risk threshold (1.0), infants were identified as the most vulnerable population, with EDI (75.71â¯ng/kg-bw/day) of 2-3â¯times higher than that of adults. Additionally, the total EDI values of individual exposure pathways were estimated and ranked as follows: indoor air (138.44â¯ng/kg-bw/day) > sunscreen application (37.2â¯ng/kg-bw/day) > drinking water (21.87â¯ng/kg-bw/day) > indoor dust (9.24â¯ng/kg-bw/day). Moreover, we successfully tailored the Sankey diagram to depict the EDI proportion of individual organic UV filters from four exposure pathways. It was noted that EHMC (ethylhexyl methoxycinnamate) and EHS (ethylhexyl salicylate) dominated the contribution of EDI (72â¯%) via indoor air exposure routes. This study serves as a crucial reference for enhancing public health risk awareness concerning organic UV filters, with a special focus on the vulnerable populations such as infants and children.
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Due to the diverse controlling factors and their uneven spatial distribution, especially atmospheric deposition from smelters, assessing and predicting the accumulation of heavy metals (HM) in crops across smelting-affected areas becomes challenging. In this study, integrating HM influx from atmospheric deposition, a boosted regression tree model with an average R2â¯>â¯0.8 was obtained to predict accumulation of Pb, As, and Cd in wheat grain across a smelting region. The atmospheric deposition serves as the dominant factor influencing the accumulation of Pb (28.2â¯%) and As (31.2â¯%) in wheat grain, but shows a weak influence on Cd accumulation (12.1â¯%). The contents of available HM in soil affect HM accumulation in wheat grain more significantly than their total contents in soil with relative importance rates of Pb (14.4â¯%â¯>â¯8.2â¯%), As (30.9â¯%â¯>â¯4.0â¯%), and Cd (55.0â¯%â¯>â¯16.9â¯%), respectively. Marginal effect analysis illustrates that HM accumulation in wheat grain begins to intensify when Pb content in atmospheric dust reaches 5140â¯mg/kg and available Cd content in soil exceeds 1.15â¯mg/kg. The path analysis rationalizes the cascading effects of distances from study sites to smelting factories on HM accumulation in wheat grain via negatively influencing atmospheric HM deposition. The study provides data support and a theoretical basis for the sustainable development of non-ferrous metal smelting industry, as well as for the restoration and risk management of HM-contaminated soils.
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Soil pollution around Pb-Zn smelters has attracted widespread attention around the world. In this study, we compiled a database of eight potentially toxic elements (PTEs) Pb, Zn, Cd, As, Cr, Ni, Cu, and Mn in the soil of Pb-Zn smelting areas by screening the published research papers from 2000 to 2023. The pollution assessment and risk screening of eight PTEs were carried out by geo-accumulation index (Igeo), potential ecological risk index (PERI) and health risk assessment model, and Monte Carlo simulation employed to further evaluate the probabilistic health risks. The results suggested that the mean values of the eight PTEs all exceeded the corresponding values in the upper crust, and more than 60% of the study sites had serious Pb and Cd pollution (Igeo > 4), with Brazil, Belgium, China, France and Slovenia having higher levels of pollution than other regions. Besides, PTEs in smelting area caused serious ecological risk (PERI = 10912.12), in which Cd was the main contributor to PREI (86.02%). The average hazard index (HI) of the eight PTEs for adults and children was 7.19 and 9.73, respectively, and the average value of total carcinogenic risk (TCR) was 4.20 × 10-3 and 8.05 × 10-4, respectively. Pb and As are the main contributors to non-carcinogenic risk, while Cu and As are the main contributors to carcinogenic risk. The probability of non-carcinogenic risk in adults and children was 84.05% and 97.57%, while carcinogenic risk was 92.56% and 79.73%, respectively. In summary, there are high ecological and health risks of PTEs in the soil of Pb-Zn smelting areas, and Pb, Cd, As and Cu are the key elements that cause contamination and risk, which need to be paid attention to and controlled. This study is expected to provide guidance for soil remediation in Pb-Zn smelting areas.
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Cadmio , Plomo , Adulto , Niño , Humanos , Plomo/toxicidad , Carcinogénesis , Carcinógenos , Contaminación Ambiental , Probabilidad , Medición de Riesgo , Suelo , ZincRESUMEN
This study attempts to bridge the current research gaps related to the environmental burdens of low-rank coal (LRC) and sewage sludge (SS) co-pyrolysis potentially. The life cycle assessment (LCA), energy recovery and sensitivity analysis were investigated for different proportions of LRC and SS (co-)pyrolysis. The results showed that the LRC/SS pyrolysis mitigated the environmental burden with an average improvement of 43 % across 18 impact categories compared with SS pyrolysis. The best net values of energy and carbon credits were identified in SL-4 with -3.36 kWh/kg biochar and -1.10 CO2-eq/kg biochar, respectively. This study firstly proposed an optimal LRC/SS co-feed proportion at 3 to 7, which achieves the acceptable environmental burden and satisfactory energy recovery. Moreover, sensitivity analysis demonstrated this proportion is robust and adaptable. LRC/SS co-pyrolysis is a promising and sustainable alternative for SS disposal, which could meet the imperative of carbon emission mitigation and resource recycling.
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Poly(butylene diglycolate-co-furandicarboxylate) (PBDF) is a newly developed biodegradable copolyester. Candida antarctica lipase B (CALB) has been identified as an effective catalyst for PBDF degradation. The mechanism is elucidated using a combination of molecular dynamics simulations and quantum chemistry approaches. The findings unveil a four-step catalytic reaction pathway. Furthermore, bond analysis, charge and interaction analysis are conducted to gain a more comprehensive understanding of the PBDF degradation process. Additionally, through the introduction of single-point mutations to crucial residues in CALB's active sites, two mutants, T138I and D134I, are discovered to exhibit improved catalytic efficiency. These significant findings contribute to the advancement of our comprehension concerning the molecular mechanism of underlying copolyesters degradation, while also presenting a novel approach for expediting the degradation rate by the CALB enzyme modification.
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Proteínas Fúngicas , Lipasa , Lipasa/química , Proteínas Fúngicas/química , Simulación de Dinámica Molecular , Dominio CatalíticoRESUMEN
About 200 million tons of coal fly ash (CFA) is not effectively used in China every year. To enhance the utilization of biomass waste quinoa husk (QH) and solid waste CFA and reduce the preparation cost of superabsorbent resin (SAR), a low-cost, biodegradable modified quinoa husk-g-poly (acrylic acid)/coal fly ash superabsorbent resin (MQH-g-PAA/CFA SAR) was synthesized using modified quinoa husk (MQH), acrylic acid and CFA and used to improve the drought resistance and fertilizer conservation ability of soil. The surface morphology and performance of SAR were characterized by Fourier transform infrared (FTIR) spectrometry, scanning electron microscopy (SEM), and thermogravimetric analysis (TGA), which provided evidence for improving the properties of SAR by grafting MQH and adding CFA. In addition, the synthesis conditions were studied and optimized, together with the contents of initiator, crosslinker, MQH, and CFA to acrylic acid as well as the neutralization degree of acrylic acid. After optimization, the optimum water absorbency of SAR in deionized water, tap water, and physiological saline was 1302, 356, and 91 g/g respectively. The swelling and water-retention mechanisms of SARs were analyzed by a dynamic model and the results were in good agreement with the experimental data. In the soil experiment, the addition of SAR improved the drought resistance ability of soil, and reduced the leaching loss of fertilizer in the soil (from 49.5 % to 36.7 %). Therefore, this material exhibits significant potential in the field of agriculture and offers a novel approach with economic benefit for the utilization of MQH and CFA.
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Perfluoroalkyl and polyfluoroalkyl substances (PFAS) are refractory organic pollutants, which are characterized by ubiquity, bioaccumulation, and biological toxicity. To explore the biotoxic effects of PFAS on fish, this study reviewed 64 publications. The toxicity of PFAS on functional traits of fish exposed to PFAS was analyzed based on Meta-analysis combined with effect sizes, which provided reference for the toxicity assessment of PFAS and was conducive to the priority control and management of PFAS pollution. The results showed that:â of the 12 functional traits studied, seven were found to be vulnerable in fish; the order of toxicity response was malformation (lnRR=-2.5599), development (lnRR=-0.4103), cell damage (lnRR=-0.3962), reproduction (lnRR=-0.3724), thyroid response (lnRR=-0.2492), growth (lnRR=-0.2194), and survival (lnRR=-0.2192). â¡ The aquatic toxicity of PFAS was significantly affected by the sex and developmental stage of fish. PFAS tended to have adverse effects on female fish (lnRR=-0.1628), and the physiological function of embryos was most significantly affected by PFAS (lnRR=-0.3553). ⢠A total of 13 PFAS were involved in the study, among which PFAS with sulfonate groups and long-chains were more likely to have significant toxicity to the functional traits of fish (P<0.05).⣠Existing data revealed that PFAS tended to produce acute toxicity to fish at medium and low concentrations (0.01-10 mg·L-1, P<0.05).
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Contaminantes Ambientales , Fluorocarburos , Animales , Femenino , Alcanosulfonatos , Contaminantes Ambientales/toxicidad , Contaminación Ambiental , Peces , Fluorocarburos/toxicidad , MasculinoRESUMEN
It has been globally recognized that obesity has become a major public health concern, especially childhood obesity. There is limited information, however, regarding the exposure risk of organic ultraviolet (UV) filters, a kind of emerging contaminant, on childhood obesity. This study would be made on 284 obese and 220 non-obese Chinese children with eight organic UV filters at urinary levels. The eight organic UV filters, including 2-Ethylhexyl 4-aminobenzoate (PABA-E), octisalate (EHS), homosalate (HMS), 2-Ethylhexyl-p-methoxycinnamate (EHMC), benzophenone-3 (BP-3), amiloxate (IAMC), octocrylene (OC) and 4-Methylbenzylidene camphor (4-MBC) were identified in urine samples with detection rates ranged from 35.32% to 100%, among which PABA-E, HMS, IAMC and OC were firstly detected in children' s urine. And the urinary UV filters concentration was associated with genders, living sites, guardian education levels, household income, and dietary factors. Urinary EHMC concentrations and childhood obesity were positively associated for girls [Adjusted OR = 2.642 (95% CI: 1.019, 6.853)], while OC concentrations and childhood obesity were negatively associated for girls [Adjusted OR = 0.022 (95% CI: 0.001, 0.817)]. The results suggest that EHMC exposure may be an environmental obesogen for girls. Moreover, two statistical models were used separately to evaluate the impact of UV filter mixtures on childhood obesity, including the Bayesian kernel machine regression (BKMR) model and the quantile g-computation (qgcomp) model. The negative association between UV filter mixtures and childhood obesity was proposed from both BKMR and qgcomp models. Further experimental and epidemiological studies are called upon to discern the individual and mixture impacts of organic UV filters on childhood obesity.
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Obesidad Infantil , Niño , Masculino , Humanos , Femenino , Estudios de Casos y Controles , Ácido 4-Aminobenzoico , Teorema de BayesRESUMEN
BACKGROUND & AIMS: Remodeling the tumor microenvironment is a critical strategy for treating advanced hepatocellular carcinoma (HCC). Yet, how distinct cell populations in the microenvironment mediate tumor resistance to immunotherapies, such as anti-PD-1, remains poorly understood. METHODS: We analyzed the transcriptomic profile, at a single-cell resolution, of tumor tissues from patients with HCC scheduled to receive anti-PD-1-based immunotherapy. Our comparative analysis and experimental validation using flow cytometry and histopathological analysis uncovered a discrete subpopulation of cells associated with resistance to anti-PD-1 treatment in patients and a rat model. A TurboID-based proximity labeling approach was deployed to gain mechanistic insights into the reprogramming of the HCC microenvironment. RESULTS: We identified CD10+ALPL+ neutrophils as being associated with resistance to anti-PD-1 treatment. These neutrophils exhibited a strong immunosuppressive activity by inducing an apparent "irreversible" exhaustion of T cells in terms of cell number, frequency, and gene profile. Mechanistically, CD10+ALPL+ neutrophils were induced by tumor cells, i.e., tumor-secreted NAMPT reprogrammed CD10+ALPL+ neutrophils through NTRK1, maintaining them in an immature state and inhibiting their maturation and activation. CONCLUSIONS: Collectively, our results reveal a fundamental mechanism by which CD10+ALPL+ neutrophils contribute to tumor immune escape from durable anti-PD-1 treatment. These data also provide further insights into novel immunotherapy targets and possible synergistic treatment regimens. IMPACT AND IMPLICATIONS: Herein, we discovered that tumor cells reprogrammed CD10+ALPL+ neutrophils to induce the "irreversible" exhaustion of T cells and hence allow tumors to escape from the intended effects of anti-PD-1 treatment. Our data provided a new theoretical basis for the elucidation of special cell populations and revealed a molecular mechanism underpinning resistance to immunotherapy. Targeting these cells alongside existing immunotherapy could be looked at as a potentially more effective therapeutic approach.
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Carcinoma Hepatocelular , Neoplasias Hepáticas , Humanos , Ratas , Animales , Carcinoma Hepatocelular/tratamiento farmacológico , Carcinoma Hepatocelular/genética , Linfocitos T , Neoplasias Hepáticas/tratamiento farmacológico , Neoplasias Hepáticas/genética , Neutrófilos , Inmunoterapia/métodos , Microambiente Tumoral , Linfocitos T CD8-positivos , Fosfatasa AlcalinaRESUMEN
To explore the pollution characteristics and sources of heavy metals in atmospheric deposition in a typical lead-zinc smelting city, 511 effective atmospheric deposition samples from 22 points in different functional areas of a city in Henan Province were collected monthly during 2021. The concentrations and spatial-temporal distribution of heavy metals were analyzed. The geo-accumulation index method and health risk assessment model were utilized to evaluate the heavy metal pollution degree. The sources of heavy metals were quantitatively analyzed using a positive matrix factorization (PMF) model. The results showed that the average concentrations of ω(Pb), ω(Cd), ω(As), ω(Cr), ω(Cu), ω(Mn), ω(Ni), and ω(Zn) in atmospheric deposition samples were 3185.77, 78.18, 273.67, 149.50, 453.60, 810.37, 54.38, and 2397.38 mg·kg-1, respectively, which were all higher than the soil background values of Henan Province. All heavy metals except Mn had significant seasonal variation characteristics. The concentrations of Pb, Cd, As, and Cu in the industrial area with lead-zinc smelting were significantly higher than those in other functional areas, and the concentration of Zn was the highest in the residential mixed area. The results of the geo-accumulation index showed that the pollution of Cd and Pb were the most serious, followed by that of Zn, Cu, and As, which belonged to the serious-extreme pollution category. The main exposure route of non-carcinogenic risk was hand-mouth intake. Pb and As posed the greatest non-carcinogenic risk to children in all functional areas. The carcinogenic risks of Cr, As, Cd, and Ni through the respiratory system to humans were all below the threshold values. The analysis of the PMF model showed that the main sources of heavy metals in atmospheric deposition were industrial pollution sources (39.7%), transportation sources (28.9%), secondary dust sources (14.4%), incineration and coal combustion sources (9.3%), and natural sources (7.8%).
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Hemoglobin is essential for carrying oxygen (O2) in the blood. However, its ability to bind excessively to carbon monoxide (CO) makes it susceptible to CO poisoning. To reduce the risk of CO poisoning, Cr-based heme and Ru-based heme were selected from among many transition metal-based hemes based on their characteristics of adsorption conformation, binding intensity, spin multiplicity, and electronic properties. The results showed that hemoglobin modified by Cr-based heme and Ru-based heme had strong anti-CO poisoning abilities. The Cr-based heme and Ru-based heme exhibited much stronger affinity for O2 (-190.67 kJ/mol and -143.18 kJ/mol, respectively) than Fe-based heme (-44.60 kJ/mol). Moreover, Cr-based heme and Ru-based heme exhibited much weaker affinity for CO (-121.50 kJ/mol and -120.88 kJ/mol, respectively) than their affinity for O2, suggesting that they were less likely to cause CO poisoning. The electronic structure analysis also supported this conclusion. Additionally, molecular dynamics analysis showed that hemoglobin modified by Cr-based heme and Ru-based heme was stable. Our findings offer a novel and effective strategy for enhancing the reconstructed hemoglobin's ability to bind O2 and reduce its potential for CO poisoning.
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Antitoxinas , Rutenio , Cromo/toxicidad , Hemoglobinas , Oxígeno/química , Hemo/química , Monóxido de Carbono/química , Monóxido de Carbono/metabolismoRESUMEN
Halogenated methanesulfonic acids (HMSAs) are an important new class of organic compounds as they were universal in the water cycle and drinking water sources. However, no study has investigated the presence of HMSAs in surface water and sediment from China. The present study reports the occurrence and spatiotemporal distribution of seven HMSAs in water and sediment samples from Hangzhou Bay, China. Trifluoromethanesulfonic acid (TFMSA) was the main contributor to the concentrations of HMSAs in water and sediment samples from spring, summer, autumn and winter which were 30.8-541 ng/L, n. d.-86.6 ng/L, 4.22-70.9 ng/L and 8.86-192 ng/L, separately, while in sediment samples were n. d.-11.1 ng/g, n. d.-12.9 ng/g, n. d.-22.5 ng/g, n. d.-4.60 ng/g, respectively. The levels of HMSAs in water from winter and spring were higher than those in summer and autumn, and the concentrations of the target HMSAs in water presents a seasonal pattern affected by the temperature, the precipitation and river flow variations. Nevertheless, the levels of HMSAs in sediment were highest in the area near the industrial area and the confluences of rivers. Correlation analysis revealed that the concentrations of TFMSA were significantly positively correlated with total organic carbon (TOC) in water samples. Although TFMSA is regarded as low toxic based on the EC50 value of acute toxicity, the potential risks to aquatic ecology should be paid more attention due to its high concentrations in the aquatic system and the environmental persistency.
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Agua Potable , Contaminantes Químicos del Agua , Contaminantes Químicos del Agua/análisis , Bahías , Monitoreo del Ambiente , Agua Potable/análisis , China , Ríos , Sedimentos Geológicos/análisisRESUMEN
The diverse and large-scale application of disinfectants posed potential health risks and caused ecological damage during the 2019-nCoV pandemic, thereby increasing the demands for the development of disinfectants based on natural products, with low health risks and low aquatic toxicity. In the present study, a few natural naphthoquinones and their derivatives bearing the 1,4-naphthoquinone skeleton were synthesized, and their antibacterial activity against selected bacterial strains was evaluated. In vitro antibacterial activities of the compounds were investigated against Escherichia coli and Staphylococcus aureus. Under the minimum inhibitory concentration (MIC) of ⩽ 0.125 µmol/L for juglone (1a), 5,8-dimethoxy-1,4-naphthoquinone (1f), and 7-methyl-5-acetoxy-1,4-naphthoquinone (3c), a strong antibacterial activity against S. aureus was observed. All 1,4-naphthoquinone derivatives exhibited a strong antibacterial activity, with MIC values ranging between 15.625 and 500 µmol/L and EC50 values ranging between 10.56 and 248.42 µmol/L. Most of the synthesized compounds exhibited strong antibacterial activities against S. aureus. Among these compounds, juglone (1a) showed the strongest antibacterial activity. The results from mechanistic investigations indicated that juglone, a natural naphthoquinone, caused cell death by inducing reactive oxygen species production in bacterial cells, leading to DNA damage. In addition, juglone could reduce the self-repair ability of bacterial DNA by inhibiting RecA expression. In addition to having a potent antibacterial activity, juglone exhibited low cytotoxicity in cell-based investigations. In conclusion, juglone is a strong antibacterial agent with low toxicity, indicating that its application as a bactericidal agent may be associated with low health risks and aquatic toxicity. Electronic Supplementary Material: Supplementary material is available in the online version of this article at 10.1007/s11783-023-1631-2 and is accessible for authorized users.
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Coagulation is an effective preliminary treatment process for textile wastewater. In order to evaluate the effectiveness of the coagulation process, we performed quantitative structure activity relationship (QSAR) analyses with total organic carbon (TOC) removal rates (Rexp) as an index by three different coagulants (AlCl3, FeCl3, and MgCl2). The experimental results showed that the average Rexp of the three coagulants was 39.12% ± 2.60%, 51.60% ± 2.88%, and 49.95% ± 3.17%. Subsequently, 42 molecular descriptors of dye molecules were calculated by quantitative calculation softwares Gaussian 09, Material Studio 7.0, and Multiwfn 3.7, and then QSAR models were constructed by a multiple linear regression (MLR) method for the three coagulation systems. The developed QSAR models demonstrated excellent stability, robustness, and predictability with values of R2 = 0.7677, 0.8015, and 0.7035, Q2INT = 0.6067, 0.7026, and 0.5898, Q2EXT = 0.5505, 0.5076, and 0.5697, respectively. Based on the analysis of quantum parameters, the coagulation mechanism for AlCl3, FeCl3 is primarily electrostatic adsorption as well as hydrogen bonding, while MgCl2 coagulates dyes mainly by electrostatic adsorption. This study provides an assessment of the removal rules and a feasible method for predicting dye removal rates in AlCl3, FeCl3, and MgCl2 coagulation process.
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Relación Estructura-Actividad Cuantitativa , Aguas Residuales , Carbono , Colorantes/química , Textiles , Aguas Residuales/químicaRESUMEN
Personal care products (PCPs) have shown adverse health effects on humans. However, their health risk associated with fish consumption and relevant water quality criteria are still not well documented. This study investigated the occurrence and health risk of six PCPs (triclosan, bisphenol-A, and four commonly used organic ultraviolet (UV) filters, i.e., homosalate (HMS), 4-methylbenzylidene camphor (4-MBC), oxybenzone (BP-3), and octocrylene (OC)). River water and three trophic levels of fish species were collected from Huangpu River in Shanghai. The concentration range of the six PCPs were 1.48-89.76 ng/L in water and 0.40-10.75 ng/g dry weight in fish. Estimated daily intake (EDI) and target hazard quotient (THQ) of the PCPs indicated that consuming these fish would not pose non-carcinogenic risks. The maximum allowable fish consumption rates ranged from 85 to 1760 and 155 to 3230 meals per month for children and adults, respectively. As to the four organic UV filters, it is the first time to report the fish consumption advisories. Finally, the human health ambient water quality criteria (AWQC) values of HMS, 4-MBC, BP-3, OC, TCS, and BPA (i.e., 0.1218, 0.7311, 0.3494, 0.0477, 235.8, and 154.7 µg/L, respectively) were proposed, and they can serve as a valuable technical reference for global development and revision of aquatic environmental quality standards for these emerging contaminants.
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Cosméticos , Contaminantes Químicos del Agua , Adulto , Animales , Niño , China , Cosméticos/análisis , Monitoreo del Ambiente , Peces , Humanos , Medición de Riesgo , Ríos , Contaminantes Químicos del Agua/análisis , Calidad del AguaRESUMEN
QSAR modeling could be a promising tool for guiding the development of novel and cost-effective environmental technologies. As an example, it could be widely used to analyze the degradation rules of organic pollutants in various decomposition methods. However, a lack of systematic research on a particular removal method is significant in revealing the decomposition rule of pollutants more accurately and guiding industrial applications. In this study, six coagulation systems (MnO2/Fe(OH)3/AlCl3/FeCl3/CaCl2/MgCl2) were used as examples to remove 38 dyes under three pH conditions, and the characteristics and differences of these systems were explored by QSAR modeling. The results showed that the removal effect by MnO2 under acidic and neutral conditions and Fe(OH)3 under acidic conditions were quantitatively described mainly by bond order (BO) and Fukui index (f (+) and f (0)), which reflected that oxidative degradation dominated. In contrast, most of the critical parameters of other systems were molecular descriptors represented by ∑q(O) (the total charge of all the oxygen atoms in the molecule) and SAA (surface area of a molecule), which reflected that electrostatic adsorption and hydrogen-bond adsorption processes dominated.
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Contaminantes Ambientales , Contaminantes Químicos del Agua , Colorantes/química , Compuestos de Manganeso , Óxidos , Relación Estructura-Actividad Cuantitativa , Contaminantes Químicos del Agua/químicaRESUMEN
Coagulation is the most widely used method in the treatment of printing and dying wastewater. To better understand the relationship between the coagulation effect and dye molecular structures, quantitative structure activity relationship (QSAR) analyses were performed to elucidate the factors affecting the coagulation in ferric chloride (FeCl3) coagulation process. First, the coagulation experiments on 38 dye molecules were conducted to determine their color removal rates (Rexp) by FeCl3 under different pH conditions (i.e., pH = 4 and 10). The results showed that the average Rexp of dyes were 41.36% ± 2.40% at pH value of 4 and 55.70% ± 2.83% at pH value of 10. Subsequently, a multiple linear regression (MLR) method was used to construct QSAR models based on Rexp and 42 molecular parameters calculated by Gaussian 09, Materials Studio 7.0 and Multiwfn. The developed QSAR models exhibited excellent stability, reliability, and robustness with values of R2 = 0.7950, 0.8170, Q2INT = 0.6401, 0.7382, Q2EXT = 0.5168, 0.5441, at pH values of 4 and 10, respectively. Through analysis of quantum parameter values, electrostatic adsorption and hydrogen bonding adsorption were primarily responsible for the coagulation process. Therefore, this study could be useful in providing critical information for evaluating the removal efficiency and a feasible way to predict the removal rate of dyes by FeCl3 when no coagulation experiments were conducted.
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Relación Estructura-Actividad Cuantitativa , Aguas Residuales , Adsorción , Colorantes , Reproducibilidad de los Resultados , Aguas Residuales/químicaRESUMEN
BACKGROUND: Although the use of antibiotics during early life has been associated with increased risk of adipogenesis, effect of antibiotic exposure from various sources, including food or drinking water, on adiposity in children is largely unknown. OBJECTIVE: To investigate associations between urinary biomarkers of multiple antibiotics and risk of adipogenesis in school children. METHODS: This case-control study recruited 410 overweight/obese school children aged 6-9 years and 410 controls from Shandong and Guangdong Province, China, matched on sex, age and school. Diagnosis of overweight and obesity was based on body mass index-based criteria derived from national data. Urinary concentrations of 45 antibiotics from 8 categories (macrolides, ß-lactams, tetracyclines, fluoroquinolones, sulfonamides, phenicols, lincosamides, and quinoxalines), including 6 human antibiotics (HAs), 6 antibiotics preferred as HAs (PHAs), 16 veterinary antibiotics (VAs), and 17 antibiotics preferred as VA (PVAs), were measured by ultra-performance liquid chromatography coupled to triple-quadrupole tandem mass spectrometry. Conditional logistic regression analyses were used to assess odds ratios (ORs) of childhood overweight/obesity in relation to urinary antibiotic concentrations. RESULTS: A total of 32 antibiotics were found in urine samples with an overall detection frequency of 92.93 %. Children with overweight/obesity have higher veterinary antibiotic levels than those with normal weight. Compared with undetected levels of antibiotics, the multivariable-adjusted ORs (95 % confidence interval) of overweight/obesity for high levels of antibiotics divided according to median values were 1.63 (1.02, 2.62) for florfenicol, 1.62 (1.04, 2.54) for phenicols, and 1.41 (0.97, 2.04) for sum of VAs and PVAs. These associations predominantly existed in boys and remained significant in florfenicol after FDR multiple testing correction (FDR adjusted p < 0.05). CONCLUSION: Exposure to certain antibiotic for veterinary use mainly from food or drinking water was associated with an increased risk of adipogenesis in children. Further studies are needed to confirm our findings and clarify the underlying mechanisms.
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Agua Potable , Obesidad Infantil , Antibacterianos/análisis , Estudios de Casos y Controles , Niño , China/epidemiología , Agua Potable/análisis , Femenino , Humanos , Masculino , Sobrepeso/inducido químicamente , Sobrepeso/epidemiología , Obesidad Infantil/inducido químicamente , Obesidad Infantil/epidemiologíaRESUMEN
Foods and water can be contaminated with antibiotics in China, which may affect children's health, but evidence on antibiotic exposure with precocious puberty (PP) is limited. This study explored the association of antibiotic exposure with PP in a school-based setting. A cross-sectional study with multistage stratified cluster random sampling was conducted in Zhongshan City, Guangdong Province and Qufu City, Shandong Province in China from October 11 to December 5, 2019. A first-morning urine sample was collected to detect antibiotic exposure. We detected 33 of 45 types of antibiotics from eight categories in 928 primary school children aged 6-12 years using HPLS-MS/MS. Detection rate of antibiotics was stratified by sex, study site, and BMI. The Tanner stages were assessed by professional pediatricians from local hospitals. PP is defined as the onset of secondary characters before 8-year-old or menarche before 10-year-old for girls and before 9-year-old for boys. Multivariable logistic regression was performed to examine the association between antibiotic exposure and PP after adjusting potential confounders. The overall detection rate of antibiotics was 93.0% in 928 children. We found the detection rate of tetracyclines and fluoroquinolones in children with PP was significantly higher than that of children with normal puberty (41.4% vs 29.9%, 56.8% vs 50.6%, respectively, all p < 0.05). Both fluoroquinolones (odds ratio (OR): 1.835, 95% confidence interval (CI): 1.066-3.158) and tetracyclines (OR: 2.120, 95% CI: 1.175-3.825) were associated with increased OR of PP after adjusting sex, age, BMI, study site, and family income. Specifically, compared to the values less than the limits of detection, low concentration of ofloxacin from fluoroquinolones (OR: 2.056, 95% CI: 1.091-3.875) and high concentration of chlortetracycline (OR: 3.027, 95% CI: 1.126-8.140) and tetracycline from tetracyclines (OR: 2.756, 95% CI: 1.167-6.506) were associated with increased OR of PP. Exposure to antibiotics, especially fluoroquinolones and tetracyclines was positively associated with precocious puberty.
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Pubertad Precoz , Antibacterianos , Niño , China/epidemiología , Estudios Transversales , Femenino , Fluoroquinolonas , Humanos , Masculino , Pubertad , Pubertad Precoz/inducido químicamente , Pubertad Precoz/diagnóstico , Pubertad Precoz/epidemiología , Instituciones Académicas , Espectrometría de Masas en Tándem , TetraciclinasRESUMEN
Many studies suggest that immune checkpoint molecules play a vital role in tumor progression and immune responses. However, the impact of the comprehensive regulation pattern of immune checkpoint molecules on immune responses, tumor microenvironment (TME) formation, and patient prognosis is poorly understood. In this study, we evaluated immune checkpoint regulation patterns in 1,174 gastric cancer (GC) samples based on 31 immune checkpoint genes (ICGs). Three distinct immune checkpoint regulation patterns with significant prognostic differences were ultimately identified. Moreover, GC patients were divided into two subgroups according to immune checkpoint score (ICscore). Patients with lower ICscore were characterized by a favorable prognosis and enhanced immune infiltration as well as an increased tumor mutation burden, non-recurrence, and microsatellite instability-high. Collectively, this study indicated that immune checkpoint regulation patterns were essential to forming the diversity of TME and a better understanding of that will contribute to assessing the characteristics of TME in GC, which intends to improve the development of immunotherapy.