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1.
J Ethnopharmacol ; 329: 118178, 2024 Jul 15.
Artículo en Inglés | MEDLINE | ID: mdl-38604511

RESUMEN

ETHNOPHARMACOLOGICAL RELEVANCE: Licorice is widely used clinically as one of the most famous traditional Chinese herbs. Its herb roasted with honey is called honey-processed licorice (HPL). Modern studies have shown that HPL has a stronger cardioprotective ability compared to raw licorice (RL), however the material basis and mechanism of action of the potential cardioprotection have not been fully elucidated. AIM OF THE STUDY: To screen and validate the material basis of cardioprotection exerted by HPL and to preliminarily predict the potential mechanism of action. MATERIALS AND METHODS: UPLC-QTOF-MS/MS was used to analyze HPL samples with different processing levels, and differential compounds were screened out through principal component analysis. Network pharmacology and molecular docking were applied to explore the association between differential compounds and doxorubicin cardiomyopathy and their mechanisms of action were predicted. An in vitro model was established to verify the cardioprotective effects of differential compounds. RESULTS: Six differential compounds were screened as key components of HPL for potential cardioprotection. Based on network pharmacology, 113 potential important targets for the treatment of Dox-induced cardiotoxicity were screened. KEGG enrichment analysis predicted that the PI3K-Akt pathway was closely related to the mechanism of action of active ingredients. Molecular docking results showed that the six differential compounds all had good binding activity with Nrf2 protein. In addition, in vitro experiments had shown that five of the active ingredients (liquiritin, isoliquiritin, liquiritigenin, isoliquiritigenin, and licochalcone A) can significantly increase Dox-induced H9c2 cell viability, SOD activity, and mitochondrial membrane potential, significantly reduces MDA levels and inhibits ROS generation. CONCLUSION: Liquiritin, isoliquiritin, liquiritigenin, isoliquiritigenin and licochalcone A are key components of HPL with potential cardioprotective capabilities. Five active ingredients can alleviate Dox-induced cardiotoxicity by inhibiting oxidative stress and mitochondrial damage.


Asunto(s)
Doxorrubicina , Miel , Simulación del Acoplamiento Molecular , Miocitos Cardíacos , Farmacología en Red , Doxorrubicina/toxicidad , Animales , Miocitos Cardíacos/efectos de los fármacos , Miocitos Cardíacos/metabolismo , Ratas , Chalconas/farmacología , Chalconas/aislamiento & purificación , Glycyrrhiza uralensis/química , Cardiotónicos/farmacología , Cardiotónicos/aislamiento & purificación , Supervivencia Celular/efectos de los fármacos , Flavanonas/farmacología , Flavanonas/aislamiento & purificación , Factor 2 Relacionado con NF-E2/metabolismo , Línea Celular , Cardiotoxicidad/prevención & control , Estrés Oxidativo/efectos de los fármacos , Extractos Vegetales/farmacología , Extractos Vegetales/química , Espectrometría de Masas en Tándem , Transducción de Señal/efectos de los fármacos , Glucósidos
2.
J Appl Toxicol ; 43(12): 1806-1818, 2023 12.
Artículo en Inglés | MEDLINE | ID: mdl-37423901

RESUMEN

Bisphenol AF (BPAF) is one of the most commonly used alternatives of bisphenol A in the plastics industry. The effects of BPAF on nervous development are unclear. Curcumin (CUR) has been determined to be an anti-inflammatory and antioxidant agent. In this study, the effects of BPAF on neurotoxicity of zebrafish embryos/larvae and whether CUR could reverse effects induced by BPAF were investigated. The results showed that BPAF treatment induced deficits in locomotor behavior, altered the larval brain development, caused aberrant expression of neurogenesis related genes (elavl3, zn5, α-tubulin, syn2a, and gap43), decreased acetylcholinesterase (AChE) activity, and induced oxidative stress, cell apoptosis, and neuroinflammation in zebrafish larvae. CUR addition could block the adverse effects of BPAF on nervous development by attenuated oxidative stress and cell apoptosis induced by BPAF in zebrafish, enhanced the activity of AChE, and increased the expression of genes involved in the pro-inflammatory cytokines (IL-6, IL-1ß, TNF-α, and IL-8). The results of this study indicate that BPAF could induce aberrant development on nervous system. However, CUR exerts neuroprotective effects on BPAF-induced neurotoxicity in zebrafish larvae.


Asunto(s)
Curcumina , Pez Cebra , Animales , Pez Cebra/metabolismo , Curcumina/farmacología , Larva , Acetilcolinesterasa/genética , Acetilcolinesterasa/metabolismo
3.
Environ Technol ; : 1-16, 2023 Jul 24.
Artículo en Inglés | MEDLINE | ID: mdl-37487236

RESUMEN

The heterogeneous photo-Fenton system using Fe-Co/γ-Al2O3 as a catalyst was applied in the study of sulfamethoxazole(SMX) degradation. The morphology, structure, elemental composition and metal valence distribution of Fe-Co/γ-Al2O3 were found to be relatively stable before and after the reaction. The highest SMX degradation efficiency and mineralization (The ratio of organic matter being oxidized to carbon dioxide and water) were obtained under the conditions of 15% Fe-Co loading rate, 1:1 mass ratio of Fe and Co, 1 g/L catalyst dosage, 1.5 mL 30% H2O2 dosage, 18 W UV lamp power and 60 min reaction time, which were 98% and 66%, respectively. Radical quenching experiments and electronic paramagnetic resonance (EPR) characterization revealed that ·OH played an important role in the degradation and mineralization SMX in the Fe-Co/γ-Al2O3 heterogeneous photo-Fenton system. Combined with the analysis of N, S and intermediate products, there may be three degradation pathways of SMX in the heterogeneous photo-Fenton system. This work provides a technical reference for realizing the efficient degradation and mineralization of SMX in a heterogeneous photo-Fenton reaction system.

4.
J Environ Manage ; 342: 118351, 2023 Sep 15.
Artículo en Inglés | MEDLINE | ID: mdl-37320923

RESUMEN

Although microbial fuel cells (MFCs) have potential for high-salt wastewater treatment, their application is limited by poor salt tolerance, deactivation and unstable catalytic performance. This study designed Ce-C, N-C, and Ce-N modified activated carbon (Ce-N-C) based on the catalytic mechanism and salt tolerance performance of Ce and N elements to address these limitations. With activated carbon (AC) as the control, this study analyzed the stability of the four cathodes under different salinity environments using norfloxacin (NOR) as a probe to assess the effect of cathodes and salinity on MFC degradation performance. After three months, comparing with other three cathodes, the Ce-N-C cathode demonstrated superior and stable electrochemical and power generation performance. In particular, the advantages of Ce-N-C in high-salt (600 mM NaCl) environment is more significant than no-salt or low-salt. The potential of Ce-N-C-End at current density of 0 was 14.0% higher than AC-End, and the power density of the MFC with Ce-N-C cathode was 105.7 mW/m2, which was 3.1 times higher than AC. Also, the stability of NOR removal under the function of Ce-N-C improved with the increase of NaCl concentration or operation time. The CeO2(111) crystal form, N-Ce-O bond and pyridine N might be the key factors in improving the catalytic performance and salt tolerance of the Ce-N modified carbon-based cathode using XPS and XRD analysis.


Asunto(s)
Fuentes de Energía Bioeléctrica , Carbón Orgánico , Carbón Orgánico/química , Cloruro de Sodio , Electrodos , Estrés Salino , Electricidad
5.
J Ethnopharmacol ; 316: 116724, 2023 Nov 15.
Artículo en Inglés | MEDLINE | ID: mdl-37308027

RESUMEN

ETHNOPHARMACOLOGICAL RELEVANCE: Honey-processed licorice (HPL) is the roasted product of licorice. It is recorded in the "Shang Han Lun" that licorice has better protection on heart after honey-processed. However, researches regarding its protective effect on the heart and the distribution of HPL in vivo are still limited. AIM OF THE STUDY: To evaluate the cardio-protection of HPL and explore the law of ten main components distribution in vivo under physiological and pathological conditions for an attempt to clarify the pharmacological substance basis of HPL in treating arrhythmia. MATERIALS AND METHODS: The adult zebrafish arrhythmia model was established by doxorubicin (DOX). Electrocardiogram (ECG) was used to detect the heart rate changes of zebrafish. SOD and MDA assays were used to evaluate oxidative stress levels in the myocardium. HE staining was used to observe the morphological change of myocardial tissues after HPL treatment. The UPLC-MS/MS was adapted to detect the content of ten main components of HPL in heart, liver, intestine, and brain under normal and heart injury conditions. RESULTS: Heart rate of zebrafish was decreased, the SOD activity was attenuated and MDA content was increased in myocardium after administration of DOX. Moreover, tissue vacuolation and inflammatory infiltration were detected in zebrafish myocardium induced by DOX. HPL could ameliorate heart injury and bradycardia induced by DOX to a certain extent by increasing SOD activity and reducing MDA content. In addition, the study of tissue distribution revealed that the content of liquiritin, isoliquiritin, and isoliquiritigenin in the heart was higher in the presence of arrhythmias than those in the normal condition. Under pathological conditions, the heart highly exposed to these three components could elicit anti-arrhythmic effects by regulating immunity and oxidation. CONCLUSION: These findings indicate that the HPL is protective against heart injury induced by DOX, and its effect is associated with the alleviation of oxidative stress and tissue injury. And the cardioprotective effect of HPL under pathological conditions may be related to the high distribution of liquiritin, isoliquiritin, and isoliquiritigenin in heart tissue. This study provides an experimental basis for the cardioprotective effects and tissue distribution of HPL.


Asunto(s)
Glycyrrhiza , Lesiones Cardíacas , Miel , Animales , Pez Cebra , Antioxidantes/farmacología , Antiarrítmicos/farmacología , Miel/análisis , Distribución Tisular , Cromatografía Liquida , Espectrometría de Masas en Tándem , Doxorrubicina/farmacología , Estrés Oxidativo , Superóxido Dismutasa
6.
Nat Commun ; 14(1): 1833, 2023 04 01.
Artículo en Inglés | MEDLINE | ID: mdl-37005422

RESUMEN

The mucolytic human gut microbiota specialist Akkermansia muciniphila is proposed to boost mucin-secretion by the host, thereby being a key player in mucus turnover. Mucin glycan utilization requires the removal of protective caps, notably fucose and sialic acid, but the enzymatic details of this process remain largely unknown. Here, we describe the specificities of ten A. muciniphila glycoside hydrolases, which collectively remove all known sialyl and fucosyl mucin caps including those on double-sulfated epitopes. Structural analyses revealed an unprecedented fucosidase modular arrangement and explained the sialyl T-antigen specificity of a sialidase of a previously unknown family. Cell-attached sialidases and fucosidases displayed mucin-binding and their inhibition abolished growth of A. muciniphila on mucin. Remarkably, neither the sialic acid nor fucose contributed to A. muciniphila growth, but instead promoted butyrate production by co-cultured Clostridia. This study brings unprecedented mechanistic insight into the initiation of mucin O-glycan degradation by A. muciniphila and nutrient sharing between mucus-associated bacteria.


Asunto(s)
Mucinas , Neuraminidasa , Humanos , Mucinas/metabolismo , Neuraminidasa/metabolismo , alfa-L-Fucosidasa/metabolismo , Ácido N-Acetilneuramínico/metabolismo , Fucosa/metabolismo , Verrucomicrobia/metabolismo , Polisacáridos/metabolismo , Moco/metabolismo
8.
Artículo en Inglés | MEDLINE | ID: mdl-36410639

RESUMEN

Bisphenol A (BPA) is ubiquitous in the environment and poses a threat to wildlife and human health. It has been reported that BPA may cause the neurotoxicity during gestational and neonatal periods. Cyanidin-3-O-glucoside (C3G) is one of the most abundant anthocyanins that has shown multiple bio-functions. In this study, the protective effects and possible mechanism of C3G against BPA-induced neurodevelopment toxicity in zebrafish embryos/larvae were studied. The results showed that co-exposure of C3G (25 µg/mL) significantly attenuated BPA-induced deficit in locomotor behavior and restored the BPA-induced aberrant changes in brain morphology of zebrafish larvae. Further studies showed that the defects of central nervous development and the downregulated neurogenesis relative genes induced by BPA were significantly counteracted by co-exposure with 5 µg/mL of C3G. In addition, C3G (25 µg/mL) mitigated the decline of glutathione (GSH) content and enzymatic activities of superoxide dismutase (SOD), glutathione peroxidase (GPx) and catalase (CAT), attenuated oxidative stress and cell apoptosis induced by BPA in zebrafish. The enhancements of the expression of genes involved in the Nrf2-ARE pathway (Nrf2, HO-1, NQO1, GCLC, and GCLM) were also observed by co-exposure of C3G. The results indicate that C3G exerts protective effects on BPA-induced neurodevelopmental toxicity through improving transcription of neurogenesis related genes, enhancing antioxidative defense system and reducing cell apoptosis by regulation of apoptotic genes in zebrafish larvae. The results suggest that anthocyanins may play important role against the exogenous toxicity for vertebrates.


Asunto(s)
Antocianinas , Embrión no Mamífero , Pez Cebra , Animales , Antocianinas/farmacología , Glucósidos/farmacología , Glutatión/metabolismo , Factor 2 Relacionado con NF-E2/metabolismo , Estrés Oxidativo , Pez Cebra/metabolismo , Embrión no Mamífero/efectos de los fármacos , Sustancias Protectoras , Fenoles/toxicidad
9.
Mol Cell Proteomics ; 20: 100150, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-34555499

RESUMEN

Despite sulfated O-linked glycans being abundant on ovarian cancer (OC) glycoproteins, their regulation during cancer development and involvement in cancer pathogenesis remain unexplored. We characterized O-glycans carrying sulfation on galactose residues and compared their expression with defined sulfotransferases regulated during OC development. Desialylated sulfated oligosaccharides were released from acidic glycoproteins in the cyst fluid from one patient with a benign serous cyst and one patient with serous OC. Oligosaccharides characterized by LC-MSn were identified as core 1 and core 2 O-glycans up to the size of decamers and with 1 to 4 sulfates linked to GlcNAc residues and to C-3 and/or C-6 of Gal. To study the specificity of the potential ovarian sulfotransferases involved, Gal3ST2 (Gal-3S)-, Gal3ST4 (Gal-3S)-, and CHST1 (Gal-6S)-encoding expression plasmids were transfected individually into CHO cells also expressing the P-selectin glycoprotein ligand-1/mouse immunoglobulin G2b (PSGL-1/mIg G2b) fusion protein and the human core 2 transferase (GCNT1). Characterization of the PSGL-1/mIg G2b O-glycans showed that Gal3ST2 preferentially sulfated Gal on the C-6 branch of core 2 structures and Gal3ST4 preferred Gal on the C-3 branch independently if core-1 or -2. CHST1 sulfated Gal residues on both the C-3 (core 1/2) and C-6 branches of core 2 structures. Using serous ovarian tissue micro array, Gal3ST2 was found to be decreased in tissue classified as malignant compared with tissues classified as benign or borderline, with the lowest expression in poorly differentiated malignant tissue. Neither Gal3ST4 nor CHST1 was differentially expressed in benign, borderline, or malignant tissue, and there was no correlation between expression level and differentiation stage. The data displays a complex sulfation pattern of O-glycans on OC glycoproteins and that aggressiveness of the cancer is associated with a decreased expression of the Gal3ST2 transferase.


Asunto(s)
Adenoma/metabolismo , Cistadenocarcinoma Seroso/metabolismo , Neoplasias Ováricas/metabolismo , Polisacáridos/metabolismo , Sulfotransferasas/metabolismo , Animales , Células CHO , Cricetulus , Femenino , Humanos , Mucinas/metabolismo , Sulfatos/metabolismo , Sulfotransferasas/genética
10.
Huan Jing Ke Xue ; 42(9): 4222-4233, 2021 Sep 08.
Artículo en Chino | MEDLINE | ID: mdl-34414720

RESUMEN

Because Jiangsu is an important economic province of China, it is necessary to examine the pollution characteristics and assess the ecological risk of environmentally persistent pharmaceutical pollutants (EPPPs) in this region. In this study, surface water samples were obtained from grade 1-4 rivers and lakes (with an area of 50 km2 or more) in Jiangsu Province, and then analyzed to determine the pollution level of EPPPs. In total, 35 EPPPs were detected in the surface water of Jiangsu Province, with total concentrations in the samples ranging from 66.74 to 2189.83 ng·L-1. The 17 EPPPs with a detection rate of more than 25% are discussed in this study. The total concentrations of 35 EPPPs were 72.48-1142.79 ng·L-1, and the mean concentration was 345.20 ng·L-1. The total concentration of EPPPs was higher in the north and south than in the central part of Jiangsu. Yangzhou city had the highest concentration of EPPPs in the whole province, and the main sources of this pollution were domestic sewage, shipping sewage discharge, and drug use in fishery breeding. The total concentration of EPPPs decreased on both sides of the region, with the Beijing-Hangzhou Canal and waste from the Yellow River forming the middle line. An ecological risk assessment of 17 EPPPs showed that single target drugs posed a low risk to water ecology in Jiangsu Province. The combined risk quotient of 17 EPPPs in water of Jiangsu Province was 0.03-0.52, indicating that EPPPs posed a low to moderate risk.


Asunto(s)
Contaminantes Ambientales , Preparaciones Farmacéuticas , Monitoreo del Ambiente , Medición de Riesgo , Agua
11.
Chemosphere ; 285: 131396, 2021 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-34237498

RESUMEN

Endocrine-disrupting chemicals (EDCs) have attracted much concern because of the environmental and health risks they pose. Here we used liquid chromatography coupled with quadrupole-Orbitrap high-resolution mass spectrometry to quantify 10 types of EDCs at 118 sampling sites in Jiangsu Province, China, and then evaluated their respective environmental risk using a conservative risk quotient method. The results show that, in surface water, the targeted nonylphenol (NP), 4-tert-octylphenol (4-t-OP), and (2-ethylhexyl)phthalate (DEHP) were ranked highest, having mean concentrations above 300 ng/L. In comparison, both 4-t-OP and DEHP were also ranked highest, with mean concentrations above 100 ng/g, in the sediment samples. Moreover, the ∑10EDCs concentration in the Huai River Basin was similar to that in the Yangtze River Basin. Notably, Huai'an city had the maximum mean concentration for EDCs in the Huai River Basin, followed by Xuzhou city and Suqian city, while Yangzhou city ranked highest in the Yangtze River Basin. Furthermore, the corresponding risk distribution revealed that (1) NP, bisphenol A (BPA), and 4-t-OP are of medium to high risk in 70%, 100% and 95% of the surface water samples, and likewise in 45%, 88% and 100% of the sediment samples, respectively; the maximum RQ value for NP in surface water samples reached 74.9; (2) DEHP belongs to the high-risk category in all samples (100%), whose maximum RQ reached 54.7. To our best knowledge, this is the first study to report on the occurrence, spatial distribution, and risk assessment of EDCs of high concern in Jiangsu Province, China.


Asunto(s)
Disruptores Endocrinos , Contaminantes Químicos del Agua , Compuestos de Bencidrilo/análisis , China , Disruptores Endocrinos/análisis , Monitoreo del Ambiente , Medición de Riesgo , Ríos , Contaminantes Químicos del Agua/análisis
12.
Environ Sci Pollut Res Int ; 28(45): 64778-64792, 2021 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-34312761

RESUMEN

In this study, the manganese cobalt composite (Mn-Co)-loaded SiO2, MgO, TiO2, γ-Al2O3 and silicalite-1 were prepared by ultrasonic complexation method. The catalysts were characterized by XRD, BET, SEM, TEM, H2-TPR and XPS, and the activity of catalytic oxidation of toluene was evaluated. It was found that Mn-Co loaded γ-Al2O3 (Mn2CoOx/γ-Al2O3) exhibited excellent catalytic activity. When the gas hour space velocity (GHSV) was 45,000 h-1, the removal rate of toluene reached 91.2% within 5.5 h, and the selectivity of CO2 was 71.10% at ambient temperature. The operation of Mn2CoOx/γ-Al2O3 at different temperatures was investigated, and the better toluene removal efficiency more than 80% after reacting 9h was obtained at 50 °C. The characterization results showed that better catalytic activity is related to smaller grain size, higher Mn3+/Mn4+ values and the relative content of active oxygen species (OII + OIII). Increased amounts of low state species easily led to the imbalance of the catalyst surface charge and promoted the formation of more oxygen vacancies.


Asunto(s)
Ozono , Catálisis , Cobalto , Manganeso , Oxidación-Reducción , Dióxido de Silicio , Tolueno
13.
Biochem Pharmacol ; 188: 114539, 2021 06.
Artículo en Inglés | MEDLINE | ID: mdl-33819468

RESUMEN

The antitumor properties of cruciferous vegetables are mainly due to their high content of isothiocyanates, and sulforaphane (SFA) is the most well-known compound. The aim of this study was to determine the mechanism of SFA inhibiting gastric cancer (GC) progression. After verifying SFA suppressing GC growth in vivo, we utilized the GSE79973 and GSE118916 datasets to identify the GC development signatures that overlap with the RNA-seq analysis in SFA-treated AGS cells. GSEA of the RNA-seq data indicated that SFA regulation of GC progression was related to extracellular matrix and collagens; thus, we identified COL3A1 and COL5A1 as the targets of SFA, which functioned as oncogenes. We found positive correlations between COL3A1 and COL5A1 expression in GC cells, and confirmed that miR-29a-3p is the common regulator of their expression. RNA immunoprecipitation assays based on Ago2, Dicer, and exportin-5 showed that SFA could promote mature miR-29a-3p generation. We also proved that SFA inactivated the Wnt/ß-catenin pathway in GC cells in a miR-29a-3p-dependent manner. Overall, SFA boosts miR-29a-3p maturation to downregulate COL3A1 and COL5A1 and inactivate the Wnt/ ß -catenin pathway to suppress GC progression.


Asunto(s)
Anticarcinógenos/uso terapéutico , Colágeno Tipo III/biosíntesis , Colágeno Tipo V/biosíntesis , Isotiocianatos/uso terapéutico , MicroARNs/biosíntesis , Neoplasias Gástricas/metabolismo , Sulfóxidos/uso terapéutico , Animales , Anticarcinógenos/farmacología , Línea Celular Tumoral , Colágeno Tipo III/antagonistas & inhibidores , Colágeno Tipo III/genética , Colágeno Tipo V/antagonistas & inhibidores , Colágeno Tipo V/genética , Progresión de la Enfermedad , Relación Dosis-Respuesta a Droga , Femenino , Regulación Neoplásica de la Expresión Génica , Humanos , Isotiocianatos/farmacología , Ratones , Ratones Endogámicos BALB C , Ratones Desnudos , MicroARNs/genética , Neoplasias Gástricas/tratamiento farmacológico , Neoplasias Gástricas/genética , Sulfóxidos/farmacología , Ensayos Antitumor por Modelo de Xenoinjerto/métodos
14.
BMC Bioinformatics ; 22(1): 151, 2021 Mar 24.
Artículo en Inglés | MEDLINE | ID: mdl-33761866

RESUMEN

BACKGROUND: A number of predictive models for aquatic toxicity are available, however, the accuracy and extent of easy to use of these in silico tools in risk assessment still need further studied. This study evaluated the performance of seven in silico tools to daphnia and fish: ECOSAR, T.E.S.T., Danish QSAR Database, VEGA, KATE, Read Across and Trent Analysis. 37 Priority Controlled Chemicals in China (PCCs) and 92 New Chemicals (NCs) were used as validation dataset. RESULTS: In the quantitative evaluation to PCCs with the criteria of 10-fold difference between experimental value and estimated value, the accuracies of VEGA is the highest among all of the models, both in prediction of daphnia and fish acute toxicity, with accuracies of 100% and 90% after considering AD, respectively. The performance of KATE, ECOSAR and T.E.S.T. is similar, with accuracies are slightly lower than VEGA. The accuracy of Danish Q.D. is the lowest among the above tools with which QSAR is the main mechanism. The performance of Read Across and Trent Analysis is lowest among all of the tested in silico tools. The predictive ability of models to NCs was lower than that of PCCs possibly because never appeared in training set of the models, and ECOSAR perform best than other in silico tools. CONCLUSION: QSAR based in silico tools had the greater prediction accuracy than category approach (Read Across and Trent Analysis) in predicting the acute toxicity of daphnia and fish. Category approach (Read Across and Trent Analysis) requires expert knowledge to be utilized effectively. ECOSAR performs well in both PCCs and NCs, and the application shoud be promoted in both risk assessment and priority activities. We suggest that distribution of multiple data and water solubility should be considered when developing in silico models. Both more intelligent in silico tools and testing are necessary to identify hazards of Chemicals.


Asunto(s)
Daphnia , Relación Estructura-Actividad Cuantitativa , Contaminantes Químicos del Agua , Animales , China , Simulación por Computador , Contaminantes Químicos del Agua/toxicidad
15.
Front Bioeng Biotechnol ; 9: 649049, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-33681175

RESUMEN

Organophosphates (also known as organophosphate esters, OPEs) have in recent years been found to be significant pollutants in both aerobic and anaerobic activated sludge. Food waste, such as kitchen garbage and agricultural residues, can be used as co-substrates to treat the active sludge in sewage treatment plants (STPs). We investigated the biodegradability of nine OPEs derived from kitchen garbage biomass and agricultural residues under different conditions. Under anaerobic conditions, the rate of removal of triphenyl ester OPEs was significantly higher than that of chloride and alkyl OPEs. The addition of FeCl3 and Fe powder increased the rate of degradation of triphenyl ester OPEs, with a DT50 for triphenyl ester OPEs of 1.7-3.8 d for FeCl3 and 1.3-4.7 d for Fe powder, compared to a DT50 of 4.3-6.9 d for the blank control. Addition of an electron donor and a rhamnolipid increased the rate of removal of chlorinated OPEs, with DT50 values for tris(2-carboxyethyl)phosphine) (TCEP) and tris(1,3-dichloroisopropyl)phosphate (TDCPP) of 18.4 and 10.0 d, respectively, following addition of the electron donor, and 13.7 and 3.0 d, respectively, following addition of the rhamnolipid. However, addition of an electron donor, electron acceptor, surfactant, and Fe powder did not always increase the degradation of different kinds of OPEs, which was closely related to the structure of the OPEs. No treatment increased the removal of alkyl OPEs due to their low anaerobic degradability. Tween 80, a non-ionic surfactant, inhibited anaerobic degradation to some degree for all OPEs. Under aerobic conditions, alkyl OPEs were more easily degraded, chlorinated OPEs needed a long adaptation period to degrade and finally attain a 90% removal rate, while the rates of degradation of triphenyl ester OPEs were significantly affected by the concentration of sludge. Higher sludge concentrations help microorganisms to adapt and remove OPEs. This study provides new insights into methods for eliminating emerging pollutants using activated sludge cultured with kitchen garbage biomass and agricultural residues.

16.
Eur J Radiol ; 136: 109552, 2021 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-33497881

RESUMEN

PURPOSE: To investigate the efficacy of radiomics in diagnosing patients with coronavirus disease (COVID-19) and other types of viral pneumonia with clinical symptoms and CT signs similar to those of COVID-19. METHODS: Between 18 January 2020 and 20 May 2020, 110 SARS-CoV-2 positive and 108 SARS-CoV-2 negative patients were retrospectively recruited from three hospitals based on the inclusion criteria. Manual segmentation of pneumonia lesions on CT scans was performed by four radiologists. The latest version of Pyradiomics was used for feature extraction. Four classifiers (linear classifier, k-nearest neighbour, least absolute shrinkage and selection operator [LASSO], and random forest) were used to differentiate SARS-CoV-2 positive and SARS-CoV-2 negative patients. Comparison of the performance of the classifiers and radiologists was evaluated by ROC curve and Kappa score. RESULTS: We manually segmented 16,053 CT slices, comprising 32,625 pneumonia lesions, from the CT scans of all patients. Using Pyradiomics, 120 radiomic features were extracted from each image. The key radiomic features screened by different classifiers varied and lead to significant differences in classification accuracy. The LASSO achieved the best performance (sensitivity: 72.2%, specificity: 75.1%, and AUC: 0.81) on the external validation dataset and attained excellent agreement (Kappa score: 0.89) with radiologists (average sensitivity: 75.6%, specificity: 78.2%, and AUC: 0.81). All classifiers indicated that "Original_Firstorder_RootMeanSquared" and "Original_Firstorder_Uniformity" were significant features for this task. CONCLUSIONS: We identified radiomic features that were significantly associated with the classification of COVID-19 pneumonia using multiple classifiers. The quantifiable interpretation of the differences in features between the two groups extends our understanding of CT imaging characteristics of COVID-19 pneumonia.


Asunto(s)
COVID-19/diagnóstico por imagen , Tomografía Computarizada por Rayos X , Adulto , Anciano de 80 o más Años , Femenino , Humanos , Masculino , Persona de Mediana Edad , Curva ROC , Radiólogos/educación , Estudios Retrospectivos , SARS-CoV-2
17.
Chemosphere ; 271: 129580, 2021 May.
Artículo en Inglés | MEDLINE | ID: mdl-33460904

RESUMEN

In this paper, two level III fugacity models are developed and applied using an environmental system containing six compartments, including air, aerosols, soil, water, suspended particulate matters (SPMs), and sediments, as a "unit world". The first model, assumes equilibrium between air and aerosols and between water and SPMs. These assumptions lead to a four-fugacity model. The second model removes these two assumptions leading to a six-fugacity model. The two models, compared using four PBDE congeners, BDE-28, -99, -153, and -209, with a steady flux of gaseous congeners entering the air, lead to the following conclusions. 1. When the octanol-air partition coefficient (KOA) is less than 1011.4, the two models produce similar results; when KOA > 1011.4, and especially when KOA > 1012.5, the model results diverge significantly. 2. Chemicals are in an imposed equilibrium in the four-fugacity model, but in a steady state and not necessary an equilibrium in the six-fugacity model, between air and aerosols. 3. The results from the six-fugacity model indicate an internally consistent system with chemicals in steady state in all six compartments, whereas the four-fugacity model presents an internally inconsistent system where chemicals are in equilibrium but not a steady state between air and aerosols. 4. Chemicals are mass balanced in air and aerosols predicted by the six-fugacity model but not by the four-fugacity model. If the mass balance in air and aerosols is achieved in the four-fugacity model, the condition of equilibrium between air and aerosols will be no longer valid.


Asunto(s)
Contaminantes Atmosféricos , Aerosoles , Contaminantes Atmosféricos/análisis , Gases , Suelo
18.
J Hazard Mater ; 403: 124053, 2021 02 05.
Artículo en Inglés | MEDLINE | ID: mdl-33265058

RESUMEN

As a substitute for bisphenol A (BPA), bisphenol S (BPS) has a longer half-life, higher chemical inertness and better skin permeability than BPA, and it also has a strong endocrine disruption effect. Relatively few studies have focused on the main processing technology for BPS biodegradation, and the findings indicate that the biodegradation efficiency of BPS was relatively low. Therefore, this paper used an NZVI-HA composite-modified bio-anode to enhance the anaerobic degradation of BPS in a Bioelectrochemical Systems (BES). The results showed that the degradation efficiency of BPS was improved from 31.1% to 92.2% with the NZVI-HA modification compared with the control group (CC-BES). FTIR and XPS analyzes demonstrated that HA can accelerate the reduction rate of Fe3+ and increase the ratio of Fe2+/Fe3+. In addition, HA can form Fe-O-HA complexes with NZVI to promote electron transfer. An analysis of the NZVI-HA-BES intermediate metabolites revealed that complex modification properties altered the BPS degradation pathway. An analysis of microbial diversity indicated that the bacteria related to the degradation of BPS may be Terrimonas, Lysobacter, and Acidovorax.


Asunto(s)
Contaminantes Químicos del Agua , Anaerobiosis , Electrodos , Fenoles , Sulfonas , Contaminantes Químicos del Agua/análisis
19.
Integr Environ Assess Manag ; 17(3): 562-572, 2021 May.
Artículo en Inglés | MEDLINE | ID: mdl-32970353

RESUMEN

Ready biodegradability is a key property for studying the environmental and ecological risks posed by chemicals, and a reference substance is used to check the reliability of the test results. Traditional reference substances such as aniline, sodium benzoate, and ammonium acetate rapidly degrade even in test systems without inoculum. In this study, 4-isopropylphenol was investigated as a reference candidate. Aerobic biodegradation of 4-isopropylphenol was studied using different methods, and repeatability tests were performed in multiple laboratories. 4-Isopropylphenol met the ready biodegradability passing level in a closed bottle test (OECD 301D) and manometric respirometry test (OECD 301F). No obvious toxicity was found in activated sludge respiration inhibition and biodegradable toxicity control tests. The results of 301F tests performed in 15 Chinese laboratories were compared using statistical robustness analyses and Z-scores. The robust average 28-d biodegradability rate for 4-isopropylphenol was 80.3%, and the relative standard deviation was 9.20%. The data from the 15 laboratories consistently indicated that 4-isopropylphenol was readily biodegradable, except for an "unsatisfactory" outlier result from 1 laboratory. The degradation kinetics of 4-isopropylphenol were derived from a logistic model, which had a good fit for the degradation curve. The biodegradation lag phase was 2.3 d (range 2-5 d), and the pass level was attained at 6.5 d on average (range 2-9 d), which met the 10-d window requirement. The biodegradation rate at 28 d was 75.3% (range 64.0%-95.1%). The ready biodegradability of 4-isopropylphenol indicates that it will be more appropriate as a reference chemical than other reference compounds used for investigating the biodegradability of chemicals. Integr Environ Assess Manag 2021;17:562-572. © 2020 SETAC.


Asunto(s)
Laboratorios , Fenoles , Biodegradación Ambiental , Fenoles/toxicidad , Reproducibilidad de los Resultados
20.
Int J Mol Sci ; 22(1)2020 Dec 23.
Artículo en Inglés | MEDLINE | ID: mdl-33374641

RESUMEN

Understanding the mechanism by which sulforaphene (SFE) affects esophageal squamous cell carcinoma (ESCC) contributes to the application of this isothiocyanate as a chemotherapeutic agent. Thus, we attempted to investigate SFE regulation of ESCC characteristics more deeply. We performed gene set enrichment analysis (GSEA) on microarray data of SFE-treated ESCC cells and found that differentially expressed genes are enriched in TNFα_Signaling_via_the_NFκB_Pathway. Coupled with the expression profile data from the GSE20347 and GSE75241 datasets, we narrowed the set to 8 genes, 4 of which (C-X-C motif chemokine ligand 10 (CXCL10), TNF alpha induced protein 3 (TNFAIP3), inhibin subunit beta A (INHBA), and plasminogen activator, urokinase (PLAU)) were verified as the targets of SFE. RNA-sequence (RNA-seq) data of 182 ESCC samples from The Cancer Genome Atlas (TCGA) were grouped into two phenotypes for GSEA according to the expression of CXCL10, TNFAIP3, INHBA, and PLAU. The enrichment results proved that they were all involved in the NFκB pathway. ChIP-seq analyses obtained from the Cistrome database indicated that NFκB-p65 is likely to control the transcription of CXCL10, TNFAIP3, INHBA, and PLAU, and considering TNFAIP3 and PLAU are the most significantly differentially expressed genes, we used chromatin immunoprecipitation-polymerase chain reaction (ChIP-PCR) to verify the regulation of p65 on their expression. The results demonstrated that SFE suppresses ESCC progression by down-regulating TNFAIP3 and PLAU expression in a p65-dependent manner.


Asunto(s)
Biología Computacional , Carcinoma de Células Escamosas de Esófago/etiología , Carcinoma de Células Escamosas de Esófago/metabolismo , Perfilación de la Expresión Génica , Regulación Neoplásica de la Expresión Génica/efectos de los fármacos , Isotiocianatos/farmacología , Factor de Transcripción ReIA/metabolismo , Secuencia de Bases , Sitios de Unión , Biomarcadores de Tumor , Línea Celular Tumoral , Biología Computacional/métodos , Bases de Datos Genéticas , Progresión de la Enfermedad , Carcinoma de Células Escamosas de Esófago/patología , Humanos , Motivos de Nucleótidos , Unión Proteica , Transcriptoma
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