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1.
Environ Sci Pollut Res Int ; 30(18): 54177-54192, 2023 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-36869959

RESUMO

The presence of Bisphenol A (BPA), Bisphenol A Diglycidyl Ether (BADGE), and their derivatives in seventy-nine samples of food products available in Turkish stores was determined using ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). Among Bisphenol A and its analogues, BPA was the most detected migrant with 56.97%. Fish products had the highest level of BPA with 0.102 mg/kg although only three fish samples exceeded the Specific Migration Limit (SML) for BPA of 0.05 mg/kg of food. The BPF, BPS, and BPB in all analyzed foods ranged between 0-0.021, 0-0.036, and 0.072 mg/kg, respectively. BADGE derivates, BADGE·2H2O and cyclo-di-BADGE (CdB) were present in 57 and 52 samples with concentrations ranging between 0-0.354, and 0-1.056 mg/kg, respectively. All the analyzed traditional Turkish ready-to-eat meals and fish products were contaminated with BADGE·2H2O and CdB. The overall levels of BADGE and the derivates were below the specific migration limit. CdB was found at higher concentrations in traditional Turkish ready-to-eat meals, up to 1.056 mg/kg. The CdB concentration in most of the samples was above the highest figure with 0.05 mg/kg authorized by the German Federal Institute for Risk Assessment. The predominant chlorinated derivative was BADGE·H2O·HCl which was found in thirty-seven samples in the range of 0.007-0.061 mg/kg.


Assuntos
Olea , Animais , Cromatografia Líquida , Cromatografia Líquida de Alta Pressão/métodos , Azeite de Oliva , Turquia , Fast Foods/análise , Espectrometria de Massas em Tandem/métodos , Compostos Benzidrílicos/química , Compostos de Epóxi , Bebidas Gaseificadas/análise , Medição de Risco
2.
Chemosphere ; 315: 137763, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36623601

RESUMO

Bisphenol A is classified as a high production volume chemical commonly used in the manufacture of polycarbonate plastics, epoxy resins and thermal paper. The endocrine disrupting properties of this xenobiotic have led to the restriction and prohibition of its use in many consumer products. To date, many chemical compounds with a chemical structure similar to bisphenol A have been used in consumer products as its replacement. The ubiquitous occurrence of bisphenol A and its substitutes in the environment and their endocrine activity as well as adverse effects on aquatic organisms is a global concern, especially because many available literature reports show that many substitutes (e.g. bisphenol AF, bisphenol AP, bisphenol B, bisphenol C, bisphenol F, bisphenol G, bisphenol FL, tetrabromobisphenol A) exert adverse effects on aquatic organisms, similar to, or even stronger than bisphenol A. Therefore, the objective of this paper is to provide a comprehensive overview of the production, sources, occurrence and associated toxicity, as well as the endocrine activity of bisphenol A and its substitutes on aquatic species. The environmental levels and ecotoxicological data presented in this review allowed for a preliminary assessment and prediction of the risk of bisphenol A and its substitutes for aquatic organisms. Furthermore, the data collected in this paper highlight that several compounds applied in bisphenol A-free products are not safe alternatives and regulations regarding their use should be introduced.


Assuntos
Compostos Benzidrílicos , Compostos Benzidrílicos/toxicidade , Compostos Benzidrílicos/química , Disruptores Endócrinos
3.
Environ Sci Pollut Res Int ; 30(6): 14497-14517, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36152093

RESUMO

This work investigates the efficacy of α-MnO2 nanorods for persulfate-mediated degradation of bisphenol A (BPA) and methylene blue (MB), in silent and ultrasonic-assisted systems. The conversion of α-MnO2 nanoparticle flakes to nanorods occurs upon calcination at a temperature of 400 °C for 3 h under the ramping conditions. The comparative characterization of nanomaterials pre- and post-calcination reveals better physical, chemical, and thermal properties of α-MnO2 nanorods. The impact of various operational parameters such as pH, dosage of nanorods, persulfate dose, selected contaminant concentration, ultrasound frequency and power, scavengers, and landfill leachate medium on the degradation of pollutants is also assessed. The ultrasonic assistance yields higher removal for both BPA and MB than the silent system. This may be attributed to the generation of more radicals as ultrasound activates persulfate. This can be due to acoustic cavitation, which leads to better solute dissociation and excited state. The results obtained through scavenger tests reveal that both OH• and SO4•- can contribute to degradation, but the role of SO4•- is found dominant. Significant removal of BPA and MB ((BPA)silent, 87.12%; (MB)silent, 96.54%; (BPA)ultrasonic, 88.75%; (MB)ultrasonic, 93.86%)) is observed in landfill leachate medium. The degradation pathway for pollutants is also proposed. The toxicity of pollutants and their degradation intermediates are evaluated using Ecological Structure Activity Relationships (ECOSAR) program. The results indicate reduced toxicity of BPA intermediates, while most MB degradation intermediates show higher toxicity. Therefore, it can be affirmed that removing pollutants does not ensure a completely non-toxic process. However, the study proposes a comprehensive toxicity evaluation and eliminating toxic intermediates for completely harmless wastewater treatment.


Assuntos
Nanotubos , Poluentes Químicos da Água , Oxirredução , Óxidos , Azul de Metileno/química , Ultrassom , Poluentes Químicos da Água/análise , Compostos de Manganês , Compostos Benzidrílicos/química
4.
Environ Int ; 170: 107578, 2022 12.
Artigo em Inglês | MEDLINE | ID: mdl-36244230

RESUMO

Despite the widespread use of bisphenol A diglycidyl ether (BADGE) and bisphenol F diglycidyl ether (BFDGE) in various consumer products as protective plasticizer, studies on human dietary exposure to these compounds are scare. In this study, nine bisphenol diglycidyl ethers (BDGEs) including BADGE, BFDGE, and seven of their derivatives were determined in the Chinese adult population based on composite dietary samples collected from the sixth (2016-2019) China total diet study (TDS). Contamination level of nine BDGEs was determined in 288 composite dietary samples from 24 provinces in China. BADGE·2H2O and BADGE are the most frequently detected and BADGE·2H2O presented the highest mean concentration (2.402 µg/kg). The most contaminated food composite is meats, with a mean ∑9BDGEs of 8.203 µg/kg, followed by aquatic products (4.255 µg/kg), eggs (4.045 µg/kg), and dairy products (3.256 µg/kg). The estimated daily intake (EDI) of ∑9BDGEs based on the mean and 95th percentile concentrations are 121.27 ng/kg bw/day and 249.71 ng/kg bw/day. Meats, eggs, and aquatic products are the main source of dietary exposure. Notably, beverages and water, alcohols were the main contributors of dietary exposure to BADGE and BADGE·2H2O, followed by animal-derived foods. Dietary exposure assessment demonstrated that human dietary BDGEs do not pose risks to general population based on the mean and 95th percentile hazard index with < 1. This is the first comprehensive national dietary exposure assessment of BDGEs in Chinese general population.


Assuntos
Compostos Benzidrílicos , Exposição Dietética , Compostos de Epóxi , Humanos , China , Dieta , Compostos Benzidrílicos/análise , Compostos Benzidrílicos/química , Compostos de Epóxi/análise , Compostos de Epóxi/química
5.
Drug Dev Ind Pharm ; 46(9): 1458-1467, 2020 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-32729728

RESUMO

The present study was designed to prepare dapagliflozin (DFG) loaded ternary solid dispersions (SDs) using the carrier blend polyethylene glycol 6000 (PEG 6000) and poloxamer 188 (PLX 188). The prepared DFG-SDs were evaluated for solubility study, physicochemical characterization and molecular simulation study. The prepared DFG-SDs showed significant higher solubility and dissolution vis-a-vis pure DFG and DFG physical mixture. The composition DFG:PEG:PLX (1:2.25:0.75 mM) showed the highest solubility (0.476 ± 0.016 mg/mL). The physicochemical characterization confirms the polymorphic transition of DFG from crystalline state to stable amorphous form. The prepared DFG-SDs showed a significantly higher dissolution (64.78 ± 2.34% to 78.41 ± 2.39%) than pure DFG (15.70 ± 3.54%). DFG-SD2 showed a significantly enhanced drug permeation (p<.05) (58.76 ± 4.65 µg/cm) as compared to pure DFG (14.97 ± 3.32 µg/cm). The molecular docking study result revealed a good hydrophobic interaction of DFG with the used carrier due to the lowest energy pose. The interaction occurs between the methylene bridges and the central hydrophobic chain of polyoxypropylene of the polymer. Therefore, DFG-SDs prepared by microwave irradiation method using hydrophilic carrier blend might be a promising strategy for improving the solubility and in vitro dissolution performance.


Assuntos
Compostos Benzidrílicos/química , Glucosídeos/química , Poloxâmero , Polietilenoglicóis , Portadores de Fármacos , Simulação de Acoplamento Molecular , Polietilenoglicóis/química , Solubilidade
6.
Acta Biochim Pol ; 67(3): 409-415, 2020 Jul 30.
Artigo em Inglês | MEDLINE | ID: mdl-32730702

RESUMO

Bisphenol A (BPA) is classified as an endocrine disruptor (ED) and it can interact with variety of hormone receptors leading to hormonal disruption and increased risk of various adverse health effects. Reducing human exposure to BPA is one of the main challenges of public health, as it is constantly present in daily life. A low-cost and commonly applied method to enable determination of BPA in the patient's body has yet to be developed. Currently available techniques are expensive, time-consuming, and require access to highly equipped analytical chemistry laboratories. Here we describe a fast and cheap engineered lateral flow assay of our design, to detect of BPA in urine samples. The technology not only provides an opportunity to perform rapid medical diagnostics without the need for an access to the central laboratory but also a means for self-diagnosis by the patient. The addition of ß-glucuronidase improves the sensitivity of detection as it releases the free BPA from glucuronide complexes in urine. This invention may become a demonstrated analytical means for lowering human exposure to BPA and probably also to other EDs and consequently, may be useful in decrease of the risk for several lifestyle diseases.


Assuntos
Anticorpos/química , Compostos Benzidrílicos/química , Compostos Benzidrílicos/urina , Disruptores Endócrinos/química , Disruptores Endócrinos/urina , Fenóis/química , Fenóis/urina , Adolescente , Adsorção , Adulto , Anticorpos/imunologia , Compostos Benzidrílicos/imunologia , Criança , Pré-Escolar , Cromatografia Líquida , Colódio/química , Disruptores Endócrinos/imunologia , Ensaio de Imunoadsorção Enzimática/economia , Ensaio de Imunoadsorção Enzimática/métodos , Feminino , Glucuronidase/química , Glucuronídeos/química , Voluntários Saudáveis , Humanos , Masculino , Membranas Artificiais , Fenóis/imunologia , Saúde Pública/métodos , Sensibilidade e Especificidade , Espectrometria de Massas em Tandem , Adulto Jovem
7.
Drug Dev Ind Pharm ; 46(2): 209-218, 2020 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-31933394

RESUMO

Empagliflozin (EGF) received USFDA approval in 2014 for oral use to control the glucose levels in adults with type 2 diabetes mellitus. Albeit, a systematic drug-excipient compatibility study of EGF has not been reported in the open literature. As physical and chemical interactions affect the performance of the formulation, this study intended to unveil the drug and excipients interactions which would later help in development of a robust solid dosage form. Differential scanning calorimetry (DSC) was applied as a screening tool for the assessment of compatibility between EGF and the list of excipients mentioned in the EMEA summary of product characteristics (SmPC)-section 6.1, along with mannitol and polyvinylpyrrolidone. Thermogravimetric analysis (TGA), Fourier Transform Infrared Spectroscopy (FTIR), X-ray Powder Diffraction (PXRD) and Hot Stage Microscopy (HSM) methods were utilized to appraise the interpretation of DSC results adequately. Isothermal stress testing (IST) studies of EGF were performed using the selected excipients to check the presence of interaction products (IPs) and the drug content by HPLC. Additional peaks were observed in the EGF-macrogol mixture than the drug peak in the HPLC analysis after two and half months, and those were separated and identified by the Ultra-High Performance Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry (UHPLC-QTOF-MS). Overall, EGF had shown compatibility with 13 selected excipients; however, initial observation of DSC and IST studies indicated plausible interaction of the EGF with macrogol.


Assuntos
Compostos Benzidrílicos/química , Excipientes/química , Glucosídeos/química , Varredura Diferencial de Calorimetria/métodos , Química Farmacêutica/métodos , Cromatografia Líquida de Alta Pressão/instrumentação , Formas de Dosagem , Manitol/química , Povidona/química , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Difração de Raios X/métodos
8.
Environ Pollut ; 244: 238-246, 2019 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-30342365

RESUMO

Bisphenol A (BPA), a well-known endocrine disruptor, is used as a color developer in thermal paper. More recently, some emerging structural analogues have been introduced to replace BPA due to the strengthened regulations concerning thermal paper. Nevertheless, very limited data are available regarding their occurrence and potential health risks. Here, thirteen potentially toxic compounds were investigated in paper products (120 thermal papers and 81 nonthermal papers) collected in Beijing, China. The results indicated that the replacement of BPA by alternatives such as Bisphenol S (BPS), Bis(2-chloroethyl)ether-4,4″-dihydroxydiphenyl sulfone copolymer (D-90), 4-hydroxyphenyl 4-isoprooxyphenylsulfone (D-8), Bis(4-hydroxyphenyl)sulfonylphenyl (BPS-MAE) and Bis-(3-allyl-4-hydroxyphenyl) sulfone (TGSA) has been significantly advanced in several types of thermal paper (i.e., market weight stickers, train tickets, express labels, air boarding passes and lottery tickets). The mean value for the total analyte concentrations in thermal paper was 6.06 mg/g, and the highest level found was 26.0 mg/g. In addition, the frequent detection of these chemicals in nonthermal paper (>80%, n = 81) demonstrated that the contamination in thermal paper can be spread into other recycled paper, such as corrugated boxes, newspapers, food contact papers, etc. The estimated daily intake of BPA and its alternatives through the handling of thermal paper was 0.025 µg/kg bw/day for the general population. This is the first report on the occurrence of various new BPA alternatives in paper products from China, which will be helpful for further risk assessment and making responsible replacement decisions.


Assuntos
Papel , Fenóis/análise , Fenóis/química , Pequim , Compostos Benzidrílicos/química , Disruptores Endócrinos/análise , Disruptores Endócrinos/química
9.
Sci Total Environ ; 655: 607-613, 2019 Mar 10.
Artigo em Inglês | MEDLINE | ID: mdl-30476841

RESUMO

Bisphenol analogues (BPs) are widely used in the production of epoxy resins and polycarbonate plastics. In recent years, the demand and production capacity of BPs are growing rapidly in China. However, knowledge on the occurrence of BPs other than bisphenol A (BPA) in the aquatic environment, especially in source and drinking water, is still limited. In this study, occurrence of 16 BPs, which have been used in various industrial applications, was investigated in source and drinking water from twenty drinking water treatment plants (DWTPs) across China. In source water, BPA, bisphenol AF (BPAF), bisphenol B (BPB), bisphenol E (BPE), bisphenol F (BPF), and bisphenol S (BPS) were detected at the following concentration ranges: BPA (n.d.-34.9 ng/L), BPAF (n.d.-10.8 ng/L), BPB (n.d.-14.3 ng/L), BPE (n.d.-6.2 ng/L), BPF (n.d.-12.6 ng/L), and BPS (n.d.-5.2 ng/L). In drinking water BPA, BPAF, BPB, BPE, BPF, and BPS were detected as follows: BPA (n.d. - 6.5 ng/L), BPAF (n.d.-4.7 ng/L), BPB (n.d.-3.2 ng/L), BPE (n.d.-0.6 ng/L), BPF (n.d.-0.9 ng/L), and BPS (n.d.-1.6 ng/L). In addition, to assess the exposure of BPs through drinking water consumption, the estimated daily intake of each detected BPs was calculated. The estimated daily intake (EDIs) was below 0.25 ng/kg bw/day for each detected BPs, much lower than the tentative oral reference dose (RfD) values for BPA (4 µg/kg bw/day) recommended by the European Food Safety Authority.


Assuntos
Compostos Benzidrílicos/análise , Exposição Dietética/análise , Água Potável/análise , Monitoramento Ambiental , Fenóis/análise , Poluentes Químicos da Água/análise , Compostos Benzidrílicos/química , China , Exposição Dietética/normas , Fenóis/química , Poluentes Químicos da Água/química
10.
Regul Toxicol Pharmacol ; 96: 64-75, 2018 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-29705401

RESUMO

4-Benzylphenol (CAS No. 101-53-1), a structural analog of bisphenol F, has estrogenic activity in vitro and in vivo, as is the case with bisphenol F. 4-Benzylphenol is used in plastics and during organic synthesis. Since its safety is largely unknown, we conducted toxicity tests as part of screening risk assessment in an existing chemical safety survey program. Based on results of the Ames test and the chromosomal aberration test using Chinese hamster lung cells (OECD TG 471 and 473), 4-benzylphenol was determined to be non-genotoxic in vitro. In a 28-day repeated-dose toxicity study, Crl:CD (SD) rats were administrated 4-benzylphenol by gavage at 0, 30, 150, or 750 mg/kg/day (OECD TG 407). Consequently, body weight was lower in males at 750 mg/kg/day. In the liver, relative organ weights were increased in both sexes at 750 mg/kg/day, and centrilobular hepatocellular hypertrophy was observed in males at 150 and 750 mg/kg/day. In the forestomach, hyperkeratosis and hyperplasia of squamous cells were observed in males at 150 and 750 mg/kg/day, and in females at 750 mg/kg/day. Based on these results, we identified the NOAEL for 4-benzylphenol as 30 mg/kg/day, with a hazard assessment value (D-value) of 0.05 mg/kg/day corresponding to hazard class 3.


Assuntos
Compostos Benzidrílicos/toxicidade , Aberrações Cromossômicas/efeitos dos fármacos , Mutagênicos/toxicidade , Administração Oral , Animais , Compostos Benzidrílicos/administração & dosagem , Compostos Benzidrílicos/química , Células CHO , Cricetulus , Relação Dose-Resposta a Droga , Feminino , Masculino , Estrutura Molecular , Mutagênicos/administração & dosagem , Mutagênicos/química , Tamanho do Órgão/efeitos dos fármacos , Ratos , Ratos Sprague-Dawley , Fatores de Tempo
11.
Mol Cell Endocrinol ; 475: 4-9, 2018 11 05.
Artigo em Inglês | MEDLINE | ID: mdl-29426018

RESUMO

BPA is one of the most investigated substances for its endocrine disruptor (ED) properties and it is at the same time in the center of many ED-related controversies. The analysis on how BPA fits to the regulatory identification as an ED is a challenge in terms of methodology. It is also a great opportunity to test the regulatory framework with a uniquely data-rich substance and learn valuable lessons for future cases. From this extensive database, it was considered important to engage in a detailed analysis so as to provide specific and strong evidences of ED while reflecting accurately the complexity of the response as well the multiplicity of adverse effects. An appropriate delineation of the scope of the analysis was therefore critical. Four effects namely, alterations of estrous cyclicity, mammary gland development, brain development and memory function, and metabolism, were considered to provide solid evidence of ED-mediated effects of BPA.


Assuntos
Compostos Benzidrílicos/toxicidade , Disruptores Endócrinos/toxicidade , Fenóis/toxicidade , Controle Social Formal , Animais , Compostos Benzidrílicos/química , Disruptores Endócrinos/química , Humanos , Fenóis/química
12.
Water Sci Technol ; 76(11-12): 3195-3204, 2017 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-29235998

RESUMO

Advanced oxidation of the aqueous Triton™ X-45 (TX-45), iopamidol (IOPA), ciprofloxacin (CIP) and bisphenol A (BPA) solutions via activation of persulfate (PS) with zero-valent aluminum (ZVA) was investigated. The study aimed at assessing the effectiveness of the PS/ZVA process in terms of target micropollutants (MPs) and toxicity abatements in raw surface water (RSW) and distilled water (DW). TX-45, CIP and BPA were completely degraded after 90-minute, 120-minute and 40-minute treatment, respectively, with PS/ZVA in DW, whereas 95% IOPA removal was achieved after 120-minute (MPs = 2 mg/L; ZVA = 1 g/L; PS = 0.25 mM for CIP and BPA; PS = 0.50 mM for TX-45 and IOPA; pH = 3). TX-45 (59%), IOPA (29%), CIP (73%) and BPA (46%) removal efficiencies decreased after 120-minute PS/ZVA treatment in RSW. In DW, Vibrio fischeri toxicities of original (untreated) MPs were found as: CIP (51%) > BPA (40%) > TX-45 (15%) > IOPA (1%), and as BPA (100%) > CIP (66%) > IOPA (62%) > TX-45 (35%) in RSW. Acute toxicities of MPs and their degradation products fluctuated during PS/ZVA treatment both in DW and RSW samples and resulted in different relative inhibition values after 120-minute. The original and PS/ZVA-treated TX-45, IOPA and BPA in DW exhibited neither cytotoxic nor genotoxic effects, whereas CIP oxidation ended up in degradation products with genotoxic effects.


Assuntos
Alumínio/química , Compostos Benzidrílicos/toxicidade , Ciprofloxacina/química , Fenóis/toxicidade , Poluentes Químicos da Água/química , Aliivibrio fischeri , Compostos Benzidrílicos/química , Oxirredução , Fenóis/química , Sulfatos , Eliminação de Resíduos Líquidos/métodos , Água , Purificação da Água/métodos
13.
Hum Reprod ; 32(7): 1465-1473, 2017 07 01.
Artigo em Inglês | MEDLINE | ID: mdl-28482050

RESUMO

STUDY QUESTION: Are bisphenol A (BPA) and BPA analogs (BPA-A) safe for male human reproductive function? SUMMARY ANSWER: The endocrine function of human testes explants [assessed by measuring testosterone and insulin-like factor 3 (INSL3)] was impacted by exposure of the human adult testis explants to BPA/BPA-A. WHAT IS KNOWN ALREADY: The few epidemiologic studies performed suggest that bisphenols have potential endocrine disruptive properties, but they did not identify clear and direct patterns of endocrine disruption. STUDY DESIGN, SIZE, DURATION: Adult human testis explants in culture were exposed to BPA and the analogs bisphenol F (BPF), bisphenol S (BPS), bisphenol E (BPE), bisphenol B (BPB) and bisphenol A diglycidyl ether (BADGE) at 10-9-10-5 M for 24 or 48 h. PARTICIPANTS/MATERIALS, SETTING, METHODS: Human adult testes were obtained from prostate cancer patients who had no hormone therapy, or from multiorgan donors. After ex vivo exposure to the investigated bisphenols, the measured outcomes were related to histopathology (gross morphology and germ cell viability determined by anti-caspase three immunohistochemistry), and the levels of testosterone, INSL3 and inhibin B were measured using immunoassays. The levels of mRNA encoding key enzymes of bisphenol biotransformation were investigated by quantitative PCR: UGT2B15 UDP (glucuronosyltransferase two family, polypeptide B15), GUSB (glucuronidase beta), SULT1A1 and 3 (sulfotransferase family 1 A member 1 and 3) and STS (steroid sulfatase). MAIN RESULTS AND THE ROLE OF CHANCE: A significant dose-dependent inhibition was found between testosterone levels measured in the culture medium and concentrations of BPA (P = 0.00778 at 24 h and P = 0.0291 at 48 h), BPE (P = 0.039) and BPF (P = 0.00663). The observed BPA and BPA-A-induced inhibition of testosterone production varied according to duration of exposure and BPA/BPA-A concentrations. BPA (10-9 M; P < 0.05), BPB (10-9 M; P < 0.05), BPS (10-9 and 10-8 M; P < 0.05) and BADGE (10-5 M; P < 0.05) increased Leydig cell INSL3 production. By contrast, BPE dose dependently inhibited INSL3 (P = 0.0372). Conversely, Sertoli cell function (inhibin B) and germ cell viability were not significantly affected by either bisphenols. LARGE SCALE DATA: N/A. LIMITATIONS, REASONS FOR CAUTION: Environmental compounds cannot be deliberately administered to men, justifying the use of an ex vivo approach. A relatively low number of testes samples were available for analysis (n = 3, except for testosterone secretion with n = 5). The active concentrations of BPA and BPA-A used in the study were higher than those found in human biological fluids. WIDER IMPLICATIONS OF THE FINDINGS: Under our experimental conditions, direct exposure to BPA or BPA-A can result in endocrine disturbance in the adult human testis. STUDY FUNDING/COMPETING INTEREST(S): This study was funded by Inserm (Institut National de la Santé et de la Recherche Médicale), EHESP-School of Public Health, University of Rennes1, by grants from the Agence Nationale de la Recherche (ANR; grant#ANR-13-CESA-0012-03 NEWPLAST) and Agence Nationale de Sécurité Sanitaire de l'Alimentation, de l'Environnement et du Travail (ANSES; grant#EST-2010/2/046 (BPATESTIS)). All authors declare they have no current or potential competing financial interests.


Assuntos
Compostos Benzidrílicos/toxicidade , Disruptores Endócrinos/toxicidade , Regulação Enzimológica da Expressão Gênica/efeitos dos fármacos , Insulina/agonistas , Drogas Antiandrogênicas não Esteroides/toxicidade , Fenóis/toxicidade , Proteínas/agonistas , Testículo/efeitos dos fármacos , Testosterona/antagonistas & inibidores , Adulto , Apoptose/efeitos dos fármacos , Arilsulfotransferase/genética , Arilsulfotransferase/metabolismo , Compostos Benzidrílicos/química , Disruptores Endócrinos/química , Compostos de Epóxi/toxicidade , Glucuronidase/genética , Glucuronidase/metabolismo , Glucuronosiltransferase/genética , Glucuronosiltransferase/metabolismo , Humanos , Insulina/metabolismo , Células Intersticiais do Testículo/citologia , Células Intersticiais do Testículo/efeitos dos fármacos , Células Intersticiais do Testículo/metabolismo , Masculino , Drogas Antiandrogênicas não Esteroides/química , Fenóis/química , Proteínas/antagonistas & inibidores , Proteínas/metabolismo , Reprodutibilidade dos Testes , Células de Sertoli/citologia , Células de Sertoli/efeitos dos fármacos , Células de Sertoli/metabolismo , Esteril-Sulfatase/genética , Esteril-Sulfatase/metabolismo , Sulfonas/toxicidade , Testículo/citologia , Testículo/metabolismo , Testosterona/metabolismo , Técnicas de Cultura de Tecidos
14.
Nucleic Acids Res ; 45(W1): W331-W336, 2017 07 03.
Artigo em Inglês | MEDLINE | ID: mdl-28444340

RESUMO

The accurate calculation of protein/nucleic acid-ligand interactions or condensed phase properties by force field-based methods require a precise description of the energetics of intermolecular interactions. Despite the progress made in force fields, small molecule parameterization remains an open problem due to the magnitude of the chemical space; the most critical issue is the estimation of a balanced set of atomic charges with the ability to reproduce experimental properties. The LigParGen web server provides an intuitive interface for generating OPLS-AA/1.14*CM1A(-LBCC) force field parameters for organic ligands, in the formats of commonly used molecular dynamics and Monte Carlo simulation packages. This server has high value for researchers interested in studying any phenomena based on intermolecular interactions with ligands via molecular mechanics simulations. It is free and open to all at jorgensenresearch.com/ligpargen, and has no login requirements.


Assuntos
Antraquinonas/química , Benzaldeídos/química , Compostos Benzidrílicos/química , Proteínas/química , Software , Água/química , Clorofenóis/química , Humanos , Internet , Ligantes , Modelos Químicos , Simulação de Dinâmica Molecular , Método de Monte Carlo , Teoria Quântica , Termodinâmica
15.
Water Sci Technol ; 74(6): 1283-1295, 2016 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-27685959

RESUMO

This study aimed to investigate the use of red mud (RM) - a byproduct of aluminum production, as a photocatalyst, which was characterized physical-chemically and used in the photodegradation of the target compound bisphenol A (BPA). Chemical processing was performed in the RM (acid treatment, chemical reduction and calcination) to verify the most active catalyst. From the results obtained, a complete degradation kinetics of BPA was carried out using a synthetic matrix (BPA in deionized water) and a real matrix (BPA in wastewater) using natural RM/calcined and TiO2 for comparison. The results indicated the potential use of the RM/calcined, which was able to degrade between 88 and 100% of the pollutant in a synthetic sample. Tests on a real effluent sample resulted in degradation rates that ranged from 59 to 100% with chemical oxygen demand reductions of up to 23% using natural RM/calcined in comparison to TiO2. The blank system (irradiation of the solution without the use of a photocatalyst) and the natural RM/calcined one, resulted in reductions of the toxicity in the effluent sample (measured by EC20 using the marine bacteria Vibrio fischeri) of about 12 times, whereas the same treatment using TiO2 resulted in a toxicity reduction of only seven times. Within these results, the RM/calcined showed potential to be used in wastewater treatment in polishing processes.


Assuntos
Compostos Benzidrílicos/química , Fenóis/química , Fotólise , Águas Residuárias/química , Poluentes Químicos da Água/química , Poluentes Químicos da Água/efeitos da radiação , Aliivibrio fischeri/efeitos dos fármacos , Análise da Demanda Biológica de Oxigênio , Catálise , Oxirredução , Titânio , Águas Residuárias/toxicidade
16.
Environ Sci Pollut Res Int ; 23(19): 19897-910, 2016 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-27424203

RESUMO

Environmental bisphenol A (BPA) exposure has been linked to a variety of adverse health effects such as developmental and reproductive issues. However, establishing a clear association between BPA and the likelihood of human health is complex yet fundamentally uncertain. The purpose of this study was to assess the potential exposure risks from environmental BPA among Chinese population based on five human health outcomes, namely immune response, uterotrophic assay, cardiovascular disease (CVD), diabetes, and behavior change. We addressed these health concerns by using a stochastic integrated risk assessment approach. The BPA dose-dependent likelihood of effects was reconstructed by a series of Hill models based on animal models or epidemiological data. We developed a physiologically based pharmacokinetic (PBPK) model that allows estimation of urinary BPA concentration from external exposures. Here we showed that the daily average exposure concentrations of BPA and urinary BPA estimates were consistent with the published data. We found that BPA exposures were less likely to pose significant risks for infants (0-1 year) and adults (male and female >20 years) with <10(-6)-fold increase in uterus weight and immune response outcomes, respectively. Moreover, our results indicated that there was 50 % risk probability that the response outcomes of CVD, diabetes, and behavior change with or without skin absorption would increase 10(-4)-10(-2)-fold. We conclude that our approach provides a powerful tool for tracking and managing human long-term BPA susceptibility in relation to multiple exposure pathways, and for informing the public of the negligible magnitude of environmental BPA pollution impacts on human health.


Assuntos
Compostos Benzidrílicos , Exposição Ambiental/análise , Poluentes Ambientais , Modelos Estatísticos , Fenóis , Medição de Risco , Adulto , Compostos Benzidrílicos/análise , Compostos Benzidrílicos/química , Compostos Benzidrílicos/urina , Poluentes Ambientais/análise , Poluentes Ambientais/química , Poluentes Ambientais/urina , Feminino , Humanos , Lactente , Recém-Nascido , Masculino , Fenóis/análise , Fenóis/química , Fenóis/urina , Adulto Jovem
17.
Colloids Surf B Biointerfaces ; 143: 440-446, 2016 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-27037781

RESUMO

Low cost paper based immunoassays are receiving interest due to their fast performance and small amounts of biomolecules needed for developing an immunoassay complex. In this work aggregation-induced emissive (AIE) nanoparticles, obtained from a diastereoisomeric mixture of 1,2-di-(4-hydroxyphenyl)-1,2-diphenylethene (TPEDH) in a one-step top-down method, are characterized through Dynamic Light Scattering (DLS), Scanning Electron Microscopy (SEM), and Zeta potential. By measuring the Zeta potential before and after labeling the nanoparticles with antibodies we demonstrate that the colloidal system is stable in a wide pH-range. The AIE-active nanoparticles are deposited on chitosan and glutaraldehyde modified paper pads overcoming the common aggregation-caused quenching (ACQ) effect. Analyte concentrations from 1000ng and below are applied in a model immunocomplex using Goat anti-Rabbit IgG and Rabbit IgG. In the range of 7.81ng-250ng, linear trends with a high R(2) are observed, which leads to a strong increase of the blue fluorescence from the TPEDH nanoparticles.


Assuntos
Anticorpos Anti-Idiotípicos/química , Compostos Benzidrílicos/química , Imunoensaio/métodos , Imunoglobulina G/análise , Nanopartículas/química , Animais , Quitosana/química , Técnicas Eletroquímicas , Corantes Fluorescentes/química , Glutaral/química , Cabras , Concentração de Íons de Hidrogênio , Imunoensaio/economia , Imunoensaio/instrumentação , Imunoglobulina G/química , Microscopia Eletrônica de Varredura , Papel , Coelhos , Sensibilidade e Especificidade , Estereoisomerismo
18.
J Hazard Mater ; 307: 154-62, 2016 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-26780702

RESUMO

Membrane concentrates of landfill leachates contain organic and inorganic contaminants that could be highly toxic and carcinogenic. In this paper, the genotoxicity of membrane concentrates before and after Fenton and UV-Fenton reagent was assessed. The cytotoxicity and genotoxicity was determined by using the methods of methyltetrazolium (MTT), cytokinesis-block micronucleus (CBMN) and comet assay in human hepatoma cells. MTT assay showed a cytotoxicity of 75% after 24h of exposure to the highest tested concentration of untreated concentrates, and no cytotoxocity for UV-Fenton and Fenton treated concentrates. Both CBMN and comet assays showed increased levels of genotoxicity in cells exposed to untreated concentrates, compared to those occurred in cells exposed to UV-Fenton and Fenton reagent treated concentrates. There was no significant difference between negative control and UV-Fenton treated concentrates for micronucleus and comet assay parameters. UV-Fenton and Fenton treatment, especially the former, were effective methods for degradation of bisphenol A and nonylphenol in concentrates. These findings showed UV-Fenton and Fenton reaction were effective methods for treatment of such complex concentrates, UV-Fenton reagent provided toxicological safety of the treated effluent, and the genotoxicity assays were found to be feasible tools for assessment of toxicity risks of complex concentrates.


Assuntos
Peróxido de Hidrogênio/química , Ferro/química , Raios Ultravioleta , Poluentes Químicos da Água , Compostos Benzidrílicos/química , Compostos Benzidrílicos/efeitos da radiação , Compostos Benzidrílicos/toxicidade , Carcinoma Hepatocelular , Sobrevivência Celular/efeitos dos fármacos , Ensaio Cometa , Dano ao DNA , Células Hep G2 , Humanos , Neoplasias Hepáticas , Membranas Artificiais , Testes para Micronúcleos , Fenóis/química , Fenóis/efeitos da radiação , Fenóis/toxicidade , Poluentes Químicos da Água/química , Poluentes Químicos da Água/efeitos da radiação , Poluentes Químicos da Água/toxicidade , Purificação da Água
19.
Nature ; 529(7585): 190-4, 2016 Jan 14.
Artigo em Inglês | MEDLINE | ID: mdl-26689365

RESUMO

The global occurrence in water resources of organic micropollutants, such as pesticides and pharmaceuticals, has raised concerns about potential negative effects on aquatic ecosystems and human health. Activated carbons are the most widespread adsorbent materials used to remove organic pollutants from water but they have several deficiencies, including slow pollutant uptake (of the order of hours) and poor removal of many relatively hydrophilic micropollutants. Furthermore, regenerating spent activated carbon is energy intensive (requiring heating to 500-900 degrees Celsius) and does not fully restore performance. Insoluble polymers of ß-cyclodextrin, an inexpensive, sustainably produced macrocycle of glucose, are likewise of interest for removing micropollutants from water by means of adsorption. ß-cyclodextrin is known to encapsulate pollutants to form well-defined host-guest complexes, but until now cross-linked ß-cyclodextrin polymers have had low surface areas and poor removal performance compared to conventional activated carbons. Here we crosslink ß-cyclodextrin with rigid aromatic groups, providing a high-surface-area, mesoporous polymer of ß-cyclodextrin. It rapidly sequesters a variety of organic micropollutants with adsorption rate constants 15 to 200 times greater than those of activated carbons and non-porous ß-cyclodextrin adsorbent materials. In addition, the polymer can be regenerated several times using a mild washing procedure with no loss in performance. Finally, the polymer outperformed a leading activated carbon for the rapid removal of a complex mixture of organic micropollutants at environmentally relevant concentrations. These findings demonstrate the promise of porous cyclodextrin-based polymers for rapid, flow-through water treatment.


Assuntos
Celulose/química , Ciclodextrinas/química , Poluentes Químicos da Água/isolamento & purificação , Purificação da Água/métodos , Água/química , Adsorção , Compostos Benzidrílicos/química , Compostos Benzidrílicos/isolamento & purificação , Celulose/síntese química , Carvão Vegetal/química , Ciclodextrinas/síntese química , Fenóis/química , Fenóis/isolamento & purificação , Porosidade , Reciclagem/economia , Reciclagem/métodos , Temperatura , Fatores de Tempo , Eliminação de Resíduos Líquidos/economia , Eliminação de Resíduos Líquidos/métodos , Poluentes Químicos da Água/química , Purificação da Água/economia
20.
J Food Prot ; 78(7): 1402-7, 2015 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-26197296

RESUMO

A sensitive and selective gas chromatography-mass spectrometry method was developed and validated for simultaneous analysis of bisphenol A (BPA) and three other bisphenols, bisphenol B (BPB), bisphenol E (BPE), and bisphenol F (BPF). This method was used to analyze samples of 52 canned fish products to follow up a previous study conducted 5 years ago to investigate any changes in BPA levels since then and levels of other bisphenols due to possible changes in can coating formulations. BPB and BPE were not detected in any of the 52 canned fish products, and BPF was detected in only four products at low levels from 1.8 to 5.7 ng/g, indicating that BPA is likely still the dominant bisphenol used in current can coating formulations. BPA was detected in all 52 canned fish products, but at much lower levels compared with a previous study; levels ranged from 0.96 to 265 ng/g (average, 28 ng/g). The few products with high BPA levels (>100 ng/g) are exclusively from a new brand that has become available on the market only recently. Further analysis of canned fish products is planned in the future to capture any changes in BPA levels in these products and to update the exposure assessment of BPA due to consumption of canned fish products.


Assuntos
Compostos Benzidrílicos/química , Produtos Pesqueiros/análise , Contaminação de Alimentos/análise , Alimentos em Conserva/análise , Fenóis/química , Animais , Canadá , Produtos Pesqueiros/economia , Peixes , Contaminação de Alimentos/economia , Alimentos em Conserva/economia , Cromatografia Gasosa-Espectrometria de Massas , Estrutura Molecular
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