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  1 / 20304 MEDLINE  
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[PMID]:29367489
[Au] Autor:Ogura T; Sato T; Abe M; Okano T
[Ad] Endereço:Research & Development Headquarters, LION Corporation.
[Ti] Título:Small Angle X-ray Scattering and Electron Spin Resonance Spectroscopy Study on Fragrance Infused Cationic Vesicles Modeling Scent-Releasing Fabric Softeners.
[So] Source:J Oleo Sci;67(2):177-186, 2018 Feb 01.
[Is] ISSN:1347-3352
[Cp] País de publicação:Japan
[La] Idioma:eng
[Ab] Resumo:Industrially relevant systems for household and personal-care products often involve a large number of components. Such multiple component formulations are indispensable and effective for functionalization of the products, but may simultaneously provide more complex structural features compared to those in ideal systems comprising a smaller number of highly pure substances. Using cryogenic transmission electron microscopy (cryo-TEM), small angle X-ray scattering (SAXS), and electron spin resonance (ESR) spectroscopy, we have investigated effects of fragrance-incorporation into cationic vesicles on their bilayer structures and membrane-membrane interactions. Cationic vesicles were prepared from TEQ surfactant, whose major component was di(alkyl fatty ester) quaternary ammonium methosulfate, and fragrance components, l-menthol, linalool, and d-limonene, were infused into the vesicle membranes to model scent-releasing fabric softeners. The cryo-TEM images confirm formation of multilamellar vesicles (MLVs). Generalized indirect Fourier transformation (GIFT) analysis of the SAXS intensities based on the modified Caillé structure factor model reveals that incorporation of a more hydrophobic fragrance component leads to a more pronounced increase of the surface separation (water layer thickness). Furthermore, the fragrance-infused systems show longer-range order of the bilayer correlations and enhanced undulation fluctuation of the membranes than those in the TEQ alone system. The spin-label ESR results indicate different restricted molecular motions in the TEQ bilayers depending on the labeled position and their marked changes upon addition of the fragrance components, suggesting different mixing schemes and solubilization positions of the fragrance molecules in the TEQ bilayers. The present data have demonstrated how the infused fragrance molecules having different hydrophobicity and molecular architectures into the cationic vesicles affect the membrane structures and the intermembrane interactions, which may provide useful information for precisely controlling a fragrance-releasing property.
[Mh] Termos MeSH primário: Cicloexenos/química
Espectroscopia de Ressonância de Spin Eletrônica
Mentol/química
Monoterpenos/química
Odorantes
Espalhamento a Baixo Ângulo
Terpenos/química
Difração de Raios X
[Mh] Termos MeSH secundário: Cátions
Interações Hidrofóbicas e Hidrofílicas
Bicamadas Lipídicas
Membranas Artificiais
Microscopia Eletrônica de Transmissão
Compostos Orgânicos/química
Compostos de Amônio Quaternário/química
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Cations); 0 (Cyclohexenes); 0 (Lipid Bilayers); 0 (Membranes, Artificial); 0 (Monoterpenes); 0 (Organic Chemicals); 0 (Quaternary Ammonium Compounds); 0 (Terpenes); 0 (fabric softeners); 1490-04-6 (Menthol); 9MC3I34447 (limonene); D81QY6I88E (linalool)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180309
[Lr] Data última revisão:
180309
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180126
[St] Status:MEDLINE
[do] DOI:10.5650/jos.ess17186


  2 / 20304 MEDLINE  
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[PMID]:28869886
[Au] Autor:Kakimoto K; Akutsu K; Nagayoshi H; Konishi Y; Kajimura K; Tsukue N; Yoshino T; Matsumoto F; Nakano T; Tang N; Hayakawa K; Toriba A
[Ad] Endereço:Osaka Institute of Public Health, 1-3-69, Nakamichi, Higashinari-ku, Osaka 537-0025, Japan. Electronic address: knkakimoto@iph.osaka.jp.
[Ti] Título:Persistent organic pollutants in red-crowned cranes (Grus japonensis) from Hokkaido, Japan.
[So] Source:Ecotoxicol Environ Saf;147:367-372, 2018 Jan.
[Is] ISSN:1090-2414
[Cp] País de publicação:Netherlands
[La] Idioma:eng
[Ab] Resumo:The red-crowned crane (Grus japonensis) from eastern Hokkaido is classified as a Special Natural Monument in Japan. In this study, we determined the concentrations of persistent organic pollutants (POPs) in red-crowned crane muscle tissues (n = 47). Polychlorinated biphenyls (PCBs) had the highest median concentration (240ng/g lipid weight), followed by dichlorodiphenyltrichloroethane and its metabolites (DDTs) (150ng/g lipid weight), chlordane-related compounds (CHLs) (36ng/g lipid weight), hexachlorobenzene (HCB) (16ng/g lipid weight), hexachlorocyclohexanes (HCHs) (4.4ng/g lipid weight), polybrominated diphenyl ethers (PBDEs) (1.8ng/g lipid weight), and finally, Mirex (1.5ng/g lipid weight). Additionally, a positive correlation was found among POP concentrations. No sex differences beyond body parameters were observed. Additionally, red-crowned cranes exhibited a high enantiomeric excess of (+)-alpha-HCH, with enantiomer fractions varying from 0.51 to 0.87 (average: 0.69).
[Mh] Termos MeSH primário: Aves/metabolismo
Disruptores Endócrinos/análise
Monitoramento Ambiental/métodos
Poluentes Ambientais/análise
Compostos Orgânicos/análise
[Mh] Termos MeSH secundário: Animais
Aves/crescimento & desenvolvimento
Peso Corporal/efeitos dos fármacos
Disruptores Endócrinos/metabolismo
Poluentes Ambientais/metabolismo
Japão
Músculo Esquelético/química
Músculo Esquelético/metabolismo
Compostos Orgânicos/metabolismo
Distribuição Tecidual
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Endocrine Disruptors); 0 (Environmental Pollutants); 0 (Organic Chemicals)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180309
[Lr] Data última revisão:
180309
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170905
[St] Status:MEDLINE


  3 / 20304 MEDLINE  
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[PMID]:28455844
[Au] Autor:Keshet U; Alon T; Fialkov AB; Amirav A
[Ad] Endereço:School of Chemistry, Tel Aviv University, Tel Aviv, 69978, Israel.
[Ti] Título:Open Probe fast GC-MS - combining ambient sampling ultra-fast separation and in-vacuum ionization for real-time analysis.
[So] Source:J Mass Spectrom;52(7):417-426, 2017 Jul.
[Is] ISSN:1096-9888
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:An Open Probe inlet was combined with a low thermal mass ultra-fast gas chromatograph (GC), in-vacuum electron ionization ion source and a mass spectrometer (MS) of GC-MS for obtaining real-time analysis with separation. The Open Probe enables ambient sampling via sample vaporization in an oven that is open to room air, and the ultra-fast GC provides ~30-s separation, while if no separation is required, it can act as a transfer line with 2 to 3-s sample transfer time. Sample analysis is as simple as touching the sample, pushing the sample holder into the Open Probe oven and obtaining the results in 30 s. The Open Probe fast GC was mounted on a standard Agilent 7890 GC that was coupled with an Agilent 5977A MS. Open Probe fast GC-MS provides real-time analysis combined with GC separation and library identification, and it uses the low-cost MS of GC-MS. The operation of Open Probe fast GC-MS is demonstrated in the 30-s separation and 50-s full analysis cycle time of tetrahydrocannabinol and cannabinol in Cannabis flower, sub 1-min analysis of trace trinitrotoluene transferred from a finger onto a glass surface, vitamin E in canola oil, sterols in olive oil, polybrominated flame retardants in plastics, alprazolam in Xanax drug pill and free fatty acids and cholesterol in human blood. The extrapolated limit of detection for pyrene is <1 fg, but the concentration is too high and the software noise calculation is untrustworthy. The broad range of compounds amenable for analysis is demonstrated in the analysis of reserpine. The possible use with alternate standard GC-MS and Open Probe fast GC-MS is demonstrated in the analysis of heroin in its street drug powder. The use of Open Probe with the fast GC acting as a transfer line is demonstrated in <10-s analysis without separation of ibuprofen and estradiol. Copyright © 2017 John Wiley & Sons, Ltd.
[Mh] Termos MeSH primário: Cromatografia Gasosa-Espectrometria de Massas/instrumentação
Cromatografia Gasosa-Espectrometria de Massas/métodos
Compostos Orgânicos/análise
[Mh] Termos MeSH secundário: Ionização do Ar
Seres Humanos
Limite de Detecção
Preparações Farmacêuticas/análise
Preparações Farmacêuticas/química
Drogas Ilícitas/análise
Drogas Ilícitas/química
Vácuo
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Organic Chemicals); 0 (Pharmaceutical Preparations); 0 (Street Drugs)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180309
[Lr] Data última revisão:
180309
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170430
[St] Status:MEDLINE
[do] DOI:10.1002/jms.3941


  4 / 20304 MEDLINE  
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[PMID]:28987402
[Au] Autor:Wang J; Chen S; Quan X; Yu H
[Ad] Endereço:Key Laboratory of Industrial Ecology and Environmental Engineering, Ministry of Education, School of Environmental Science and Technology, Dalian University of Technology, Dalian, 116024, China.
[Ti] Título:Fluorine-doped carbon nanotubes as an efficient metal-free catalyst for destruction of organic pollutants in catalytic ozonation.
[So] Source:Chemosphere;190:135-143, 2018 Jan.
[Is] ISSN:1879-1298
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Metal-free carbon materials have been presented to be potential alternatives to metal-based catalysts for heterogeneous catalytic ozonation, yet the catalytic performance still needs to be enhanced. Doping carbon with non-metallic heteroatoms (e.g., N, B, and F) could alter the electronic structure and electrochemical properties of original carbon materials, has been considered to be an effective method for improving the catalytic activity of carbon materials. Herein, fluorine-doped carbon nanotubes (F-CNTs) were synthesized via a facile method and characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. The as-synthesized F-CNTs exhibited notably enhanced catalytic activity towards catalytic ozonation for the degradation of organic pollutants. The oxalic acid removal efficiency of optimized F-CNTs was approximately two times as much as that of pristine CNTs, and even exceeded those of four conventional metal-based catalysts (ZnO, Al O , Fe O , and MnO ). The XPS and Raman studies confirmed that the covalent CF bonds were formed at the sp C sites instead of sp C sites on CNTs, not only resulting in high positive charge density of C atoms adjacent to F atoms, but remaining the delocalized π-system with intact carbon structure of F-CNTs, which then favored the conversion of ozone molecules (O ) into reactive oxygen species (ROS) and contributed to the high oxalic acid removal efficiency. Furthermore, electron spin resonance (ESR) studies revealed that superoxide radicals (O ) and singlet oxygen ( O ) might be the dominant ROS that responsible for the degradation of oxalic acid in these catalytic systems.
[Mh] Termos MeSH primário: Poluentes Ambientais/química
Flúor/química
Nanotubos de Carbono/química
Ozônio/química
[Mh] Termos MeSH secundário: Catálise
Fluoretos
Compostos Orgânicos/química
Ácido Oxálico/química
Análise Espectral
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Environmental Pollutants); 0 (Nanotubes, Carbon); 0 (Organic Chemicals); 284SYP0193 (Fluorine); 66H7ZZK23N (Ozone); 9E7R5L6H31 (Oxalic Acid); Q80VPU408O (Fluorides)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180308
[Lr] Data última revisão:
180308
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:171009
[St] Status:MEDLINE


  5 / 20304 MEDLINE  
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[PMID]:28826031
[Au] Autor:Tran HN; Viet PV; Chao HP
[Ad] Endereço:Department of Environmental Engineering, Chung Yuan Christian University, Chungli 32023, Taiwan.
[Ti] Título:Surfactant modified zeolite as amphiphilic and dual-electronic adsorbent for removal of cationic and oxyanionic metal ions and organic compounds.
[So] Source:Ecotoxicol Environ Saf;147:55-63, 2018 Jan.
[Is] ISSN:1090-2414
[Cp] País de publicação:Netherlands
[La] Idioma:eng
[Ab] Resumo:A hydrophilic Y zeolite was primarily treated with sodium hydroxide to enhance its cation exchange capacity (Na-zeolite). The organo-zeolite (Na-H-zeolite) was prepared by a modification process of the external surface of Na-zeolite with a cationic surfactant (hexadecyltrimethylammonium; HDTMA). Three adsorbents (i.e., pristine zeolite, Na-zeolite, and Na-H-zeolite) were characterized with nitrogen adsorption/desorption isotherms, scanning electron microscopy coupled with energy dispersive X-ray spectroscopy, cation exchange capacities, and zeta potential. Results demonstrated that HDTMA can be adsorbed on the surface of Na-zeolite to form patchy bilayers. The adsorption capacity of several hazardous pollutants (i.e., Pb , Cu , Ni , Cr O , propylbenzene, ethylbenzene, toluene, benzene, and phenol) onto Na-H-zeolite was investigated in a single system and multiple-components. Adsorption isotherm was measured to further understand the effects of the modification process on the adsorption behaviors of Na-H-zeolite. Adsorption performances indicated that Na-H-zeolite can simultaneously adsorb the metal cations (on the surface not covered by HDTMA), oxyanions (on the surface covered by HDTMA). Na-H-zeolite also exhibited both hydrophilic and hydrophobic surfaces to uptake organic compounds with various water solubilities (from 55 to 75,000mg/L). It was experimentally concluded that Na-H-zeolite is a potential dual-electronic and amphiphilic adsorbent for efficiently removing a wide range of potentially toxic pollutants from aquatic environments.
[Mh] Termos MeSH primário: Metais Pesados/análise
Compostos Orgânicos/análise
Tensoativos/química
Poluentes Químicos da Água/análise
Purificação da Água/métodos
Zeolitas/química
[Mh] Termos MeSH secundário: Adsorção
Ânions
Cátions
Interações Hidrofóbicas e Hidrofílicas
Metais Pesados/química
Modelos Teóricos
Compostos Orgânicos/química
Óxidos
Solubilidade
Propriedades de Superfície
Poluentes Químicos da Água/química
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Anions); 0 (Cations); 0 (Metals, Heavy); 0 (Organic Chemicals); 0 (Oxides); 0 (Surface-Active Agents); 0 (Water Pollutants, Chemical); 1318-02-1 (Zeolites)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180308
[Lr] Data última revisão:
180308
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170822
[St] Status:MEDLINE


  6 / 20304 MEDLINE  
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[PMID]:29184403
[Au] Autor:Zou Y; Celli A; Zhu H; Elmahdy A; Cao Y; Hui X; Maibach H
[Ad] Endereço:Skin & Cosmetic Research Department, Shanghai Skin Disease Hospital, Shanghai, People's Republic of China.
[Ti] Título:Confocal laser scanning microscopy to estimate nanoparticles' human skin penetration in vitro.
[So] Source:Int J Nanomedicine;12:8035-8041, 2017.
[Is] ISSN:1178-2013
[Cp] País de publicação:New Zealand
[La] Idioma:eng
[Ab] Resumo:Objective: With rapid development of nanotechnology, there is increasing interest in nanoparticle (NP) application and its safety and efficacy on human skin. In this study, we utilized confocal laser scanning microscopy to estimate NP skin penetration. Methods: Three different-sized polystyrene NPs marked with red fluorescence were applied to human skin, and Calcium Green 5N was used as a counterstain. Dimethyl sulfoxide (DMSO) and ethanol were used as alternative vehicles for NPs. Tape stripping was utilized as a barrier-damaged skin model. Skin biopsies dosed with NPs were incubated at 4°C or 37°C for 24 hours and imaged using confocal laser scanning microscopy. Results: NPs were localized in the stratum corneum (SC) and hair follicles without penetrating the epidermis/dermis. Barrier alteration with tape stripping and change in incubation temperature did not induce deeper penetration. DMSO enhanced NP SC penetration but ethanol did not. Conclusion: Except with DMSO vehicle, these hydrolyzed polystyrene NPs did not penetrate intact or barrier-damaged human "viable" epidermis. For further clinical relevance, in vivo human skin studies and more sensitive analytic chemical methodology are suggested.
[Mh] Termos MeSH primário: Microscopia Confocal/métodos
Nanopartículas
Absorção Cutânea/efeitos dos fármacos
[Mh] Termos MeSH secundário: Epiderme/efeitos dos fármacos
Seres Humanos
Nanopartículas/administração & dosagem
Nanopartículas/química
Compostos Orgânicos/administração & dosagem
Compostos Orgânicos/farmacocinética
Tamanho da Partícula
Pele/efeitos dos fármacos
Temperatura Ambiente
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Organic Chemicals); 138067-55-7 (calcium green)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180305
[Lr] Data última revisão:
180305
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:171130
[St] Status:MEDLINE
[do] DOI:10.2147/IJN.S139139


  7 / 20304 MEDLINE  
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[PMID]:29478644
[Au] Autor:Chi Y; Zhang H; Huang Q; Lin Y; Ye G; Zhu H; Dong S
[Ad] Endereço:Key Lab of Urban Environment and Health, Institute of Urban Environment, Chinese Academy of Sciences, Xiamen 361021, China; College of Resources and Environment, University of Chinese Academy of Sciences, Beijing 100049, China.
[Ti] Título:Environmental risk assessment of selected organic chemicals based on TOC test and QSAR estimation models.
[So] Source:J Environ Sci (China);64:23-31, 2018 Feb.
[Is] ISSN:1001-0742
[Cp] País de publicação:Netherlands
[La] Idioma:eng
[Ab] Resumo:Environmental risks of organic chemicals have been greatly determined by their persistence, bioaccumulation, and toxicity (PBT) and physicochemical properties. Major regulations in different countries and regions identify chemicals according to their bioconcentration factor (BCF) and octanol-water partition coefficient (Kow), which frequently displays a substantial correlation with the sediment sorption coefficient (Koc). Half-life or degradability is crucial for the persistence evaluation of chemicals. Quantitative structure activity relationship (QSAR) estimation models are indispensable for predicting environmental fate and health effects in the absence of field- or laboratory-based data. In this study, 39 chemicals of high concern were chosen for half-life testing based on total organic carbon (TOC) degradation, and two widely accepted and highly used QSAR estimation models (i.e., EPI Suite and PBT Profiler) were adopted for environmental risk evaluation. The experimental results and estimated data, as well as the two model-based results were compared, based on the water solubility, Kow, Koc, BCF and half-life. Environmental risk assessment of the selected compounds was achieved by combining experimental data and estimation models. It was concluded that both EPI Suite and PBT Profiler were fairly accurate in measuring the physicochemical properties and degradation half-lives for water, soil, and sediment. However, the half-lives between the experimental and the estimated results were still not absolutely consistent. This suggests deficiencies of the prediction models in some ways, and the necessity to combine the experimental data and predicted results for the evaluation of environmental fate and risks of pollutants.
[Mh] Termos MeSH primário: Monitoramento Ambiental/métodos
Poluentes Ambientais/toxicidade
Compostos Orgânicos/toxicidade
Relação Quantitativa Estrutura-Atividade
[Mh] Termos MeSH secundário: Monitoramento Ambiental/normas
Poluentes Ambientais/química
Modelos Químicos
Compostos Orgânicos/química
Medição de Risco/métodos
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Environmental Pollutants); 0 (Organic Chemicals)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180301
[Lr] Data última revisão:
180301
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180227
[St] Status:MEDLINE


  8 / 20304 MEDLINE  
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[PMID]:29424213
[Au] Autor:Malysheva AG; Rakhmanin YA; Rastyannikov EG; Kozlova NY; Artyushina IY; Shokhin VA
[Ti] Título:[Gas chromatography-mass spectrometric studies of volatile emissions from plants for the assessment of the effectiveness and chemical safety of the implementation of environment improving phytotechnologies].
[So] Source:Gig Sanit;95(6):501-7, 2016.
[Is] ISSN:0016-9900
[Cp] País de publicação:Russia (Federation)
[La] Idioma:rus
[Ab] Resumo:The chromato-mass-spectrometric studies of volatile emissions of fresh-cut roses have revealed the persistence of wide range of organic compounds. The most large content was consist of terpene hydrocarbons. The contribution of oxygen-containing components (alcohols, ethers, aldehydes and ketones) varied in wide ranges in dependence on the content of the feeding solution. The significant part of plants ' volatiles has no hygienic norm. Among the substances released into the air space ofpremises with volatile emissions ofplants, a significant part has not hygienic standards. Purposeful change in composition of the mixture of volatile organic compounds released by the plants, in the combination with chemical-analytical control of the content of these substances by gas chromatography-mass spectrometry in terms of ecological and hygienic aspects may be useful in the development, use and determination of the optimal conditions of the implementation of environment improving phytotechnologies and evaluation of the efficacy and safety of their impact on public health.
[Mh] Termos MeSH primário: Agroquímicos
Exposição Ambiental
Cromatografia Gasosa-Espectrometria de Massas/métodos
Rosa
Compostos Orgânicos Voláteis
[Mh] Termos MeSH secundário: Agroquímicos/efeitos adversos
Agroquímicos/análise
Exposição Ambiental/análise
Exposição Ambiental/prevenção & controle
Monitoramento Ambiental/métodos
Fertilizantes/efeitos adversos
Fertilizantes/análise
Seres Humanos
Compostos Orgânicos/efeitos adversos
Compostos Orgânicos/análise
Federação Russa/epidemiologia
Compostos Orgânicos Voláteis/efeitos adversos
Compostos Orgânicos Voláteis/análise
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Agrochemicals); 0 (Fertilizers); 0 (Organic Chemicals); 0 (Volatile Organic Compounds)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180301
[Lr] Data última revisão:
180301
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180210
[St] Status:MEDLINE


  9 / 20304 MEDLINE  
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[PMID]:29028601
[Au] Autor:Bakire S; Yang X; Ma G; Wei X; Yu H; Chen J; Lin H
[Ad] Endereço:College of Geography and Environmental Sciences, Zhejiang Normal University, Yingbin Avenue 688, 321004, Jinhua, PR China.
[Ti] Título:Developing predictive models for toxicity of organic chemicals to green algae based on mode of action.
[So] Source:Chemosphere;190:463-470, 2018 Jan.
[Is] ISSN:1879-1298
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Organic chemicals in the aquatic ecosystem may inhibit algae growth and subsequently lead to the decline of primary productivity. Growth inhibition tests are required for ecotoxicological assessments for regulatory purposes. In silico study is playing an important role in replacing or reducing animal tests and decreasing experimental expense due to its efficiency. In this work, a series of theoretical models was developed for predicting algal growth inhibition (log EC ) after 72 h exposure to diverse chemicals. In total 348 organic compounds were classified into five modes of toxic action using the Verhaar Scheme. Each model was established by using molecular descriptors that characterize electronic and structural properties. The external validation and leave-one-out cross validation proved the statistical robustness of the derived models. Thus they can be used to predict log EC values of chemicals that lack authorized algal growth inhibition values (72 h). This work systematically studied algal growth inhibition according to toxic modes and the developed model suite covers all five toxic modes. The outcome of this research will promote toxic mechanism analysis and be made applicable to structural diversity.
[Mh] Termos MeSH primário: Clorófitas/efeitos dos fármacos
Modelos Teóricos
Compostos Orgânicos/toxicidade
Relação Quantitativa Estrutura-Atividade
[Mh] Termos MeSH secundário: Animais
Clorófitas/crescimento & desenvolvimento
Simulação por Computador
Ecossistema
Estrutura Molecular
Compostos Orgânicos/química
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Organic Chemicals)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180228
[Lr] Data última revisão:
180228
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:171014
[St] Status:MEDLINE


  10 / 20304 MEDLINE  
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[PMID]:29024883
[Au] Autor:Sopilniak A; Elkayam R; Rossin AV; Lev O
[Ad] Endereço:Casali Center of Applied Chemistry, The Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 9190401, Israel.
[Ti] Título:Emerging organic pollutants in the vadose zone of a soil aquifer treatment system: Pore water extraction using positive displacement.
[So] Source:Chemosphere;190:383-392, 2018 Jan.
[Is] ISSN:1879-1298
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Trace organic compounds in effluents, water streams and aquifers are amply reported. However, the mobile pool of Emerging Organic Contaminants (EOCs) in the deep parts of the vadose zone is hard to estimate, due to difficulties in extraction of sufficient quantity of pore water. Here, we present a new methodology for depth profiling of EOCs in pore water by Positive Displacement Extraction (PDE): Pore water extraction from unsaturated soil samples is carried out by withdrawal of soil cores by direct-push drilling and infiltrating the core by organics free water. We show that EOC concentrations in the water eluted in the plateau region of the inverse breakthrough curve is equal to their pore water concentrations. The method was previously validated for DOC extraction, and here the scope of the methodology is extended to pore water extraction for organic pollutants analysis. Method characteristics and validation were carried out with atrazine, simazine, carbamazepine, venlafaxine, O-desmethylvenlafaxine and caffeine in the concentration range of several ng to several µg/liter. Validation was carried out by laboratory experiments on three different soils (sandy, sandy-clayey and clayey). Field studies in the vadose zone of a SAT system provided 27 m deep EOC profiles with less than 1.5 m spatial resolution. During the percolation treatment, carbamazepine remained persistent, while the other studied EOCs were attenuated to the extent of 50-99%.The highest degradation rate of all studied EOCs was in the aerobic zone. EOC levels based on PDE and extraction by centrifugation were compared, showing a positive bias for centrifugation.
[Mh] Termos MeSH primário: Água Subterrânea/análise
Poluentes do Solo/análise
Extração em Fase Sólida/métodos
Poluentes Químicos da Água/análise
[Mh] Termos MeSH secundário: Atrazina/análise
Carbamazepina/análise
Succinato de Desvenlafaxina/análise
Métodos
Compostos Orgânicos/análise
Simazina
Solo/química
Água/análise
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Organic Chemicals); 0 (Soil); 0 (Soil Pollutants); 0 (Water Pollutants, Chemical); 059QF0KO0R (Water); 33CM23913M (Carbamazepine); QJA9M5H4IM (Atrazine); SG0C34SMY3 (Simazine); ZB22ENF0XR (Desvenlafaxine Succinate)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180228
[Lr] Data última revisão:
180228
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:171013
[St] Status:MEDLINE



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