Base de dados : MEDLINE
Pesquisa : D01.362 [Categoria DeCS]
Referências encontradas : 18461 [refinar]
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[PMID]:29175401
[Au] Autor:Wan J; Du X; Wang R; Liu E; Jia J; Bai X; Hu X; Fan J
[Ad] Endereço:School of Chemical Engineering, Northwest University, Xi'an 710069, PR China.
[Ti] Título:Mesoporous nanoplate multi-directional assembled Bi WO for high efficient photocatalytic oxidation of NO.
[So] Source:Chemosphere;193:737-744, 2018 Feb.
[Is] ISSN:1879-1298
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Herein, a mesoporous nanoplate multi-directional assembled Bi WO architecture was successfully prepared and applied for the photocatalytic removal of NOx pollutants at low concentrations under visible light and simulated solar light irradiation. Bi WO -180-C synthesized at a hydrothermal temperature of 180 °C with calcination exhibited an excellent conversion efficiency in the photocatalytic oxidation of gaseous NO. The crystallinity, morphology, specific surface area, pore environment, light absorption, and separation of photogenerated electrons and holes were investigated by various techniques; the excellent photocatalytic performance of Bi WO -180-C was attributed to its special hierarchical mesoporous structure with an appropriate pore size and interconnected porous network, which imparted good gas permeability and fast mass transfer of reaction intermediates and final products of NO oxidation. Furthermore, hierarchical mesoporous Bi WO showed excellent photocatalytic durability and reusability.
[Mh] Termos MeSH primário: Bismuto/química
Catálise
Óxido Nítrico/química
Óxido Nítrico/efeitos da radiação
[Mh] Termos MeSH secundário: Gases
Luz
Oxidantes Fotoquímicos
Oxirredução
Porosidade
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Gases); 0 (Oxidants, Photochemical); 31C4KY9ESH (Nitric Oxide); U015TT5I8H (Bismuth)
[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:171128
[St] Status:MEDLINE


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[PMID]:28457504
[Au] Autor:Okumura M; Usumoto Y; Tsuji A; Kudo K; Ikeda N
[Ad] Endereço:Department of Forensic Pathology and Sciences, Graduate School of Medical Sciences, Kyushu University, Fukuoka 812-8582, Japan.
[Ti] Título:Analysis of postmortem changes in internal organs and gases using computed tomography data.
[So] Source:Leg Med (Tokyo);25:11-15, 2017 Mar.
[Is] ISSN:1873-4162
[Cp] País de publicação:Ireland
[La] Idioma:eng
[Ab] Resumo:Postmortem computed tomography (PMCT) is a useful method to identify various causes of death and measure the volume of internal organs and gases. The purpose of this study was to investigate postmortem changes as measured by PMCT, and the relationship between the volume of organs and gases and postmortem interval (PMI). Forty-six cadavers (22 men, 24 women) were examined by CT before autopsy. The volumes of the lungs, intrahepatic gas, and intrarectal gas were measured by CT using a workstation. A stepwise regression analysis was used to establish a predictive equation to ascertain the measured volume using factors including sex, age, height, body mass index (BMI), body surface area (BSA), and PMI. For estimation of PMI, stepwise regression analysis was used. In the equations for each measured volume, height, diaphragmatic height, and BSA were adopted for the left lung; height and diaphragmatic height were adopted for the right lung; PMI was adopted for intrahepatic gas; and sex and PMI were adopted for intrarectal gas. In the PMI equations, left lung volume, intrahepatic gas, and intrarectal gas were adopted together with sex, weight, and BMI. Values of intrahepatic gas decreased with postmortem changes, while intrarectal gas increased. This may be useful in investigation of postmortem changes. It will be necessary to include other parts of the intestine and to analyze volume changes in gases from these parts after death.
[Mh] Termos MeSH primário: Patologia Legal/métodos
Tomografia Computadorizada Multidetectores
Mudanças Depois da Morte
[Mh] Termos MeSH secundário: Cadáver
Feminino
Gases/análise
Seres Humanos
Masculino
Tecnologia Radiológica
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Gases)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180307
[Lr] Data última revisão:
180307
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:170502
[St] Status:MEDLINE


  3 / 18461 MEDLINE  
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[PMID]:29370230
[Au] Autor:Illias HA; Zhao Liang W
[Ad] Endereço:Department of Electrical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur, Malaysia.
[Ti] Título:Identification of transformer fault based on dissolved gas analysis using hybrid support vector machine-modified evolutionary particle swarm optimisation.
[So] Source:PLoS One;13(1):e0191366, 2018.
[Is] ISSN:1932-6203
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Early detection of power transformer fault is important because it can reduce the maintenance cost of the transformer and it can ensure continuous electricity supply in power systems. Dissolved Gas Analysis (DGA) technique is commonly used to identify oil-filled power transformer fault type but utilisation of artificial intelligence method with optimisation methods has shown convincing results. In this work, a hybrid support vector machine (SVM) with modified evolutionary particle swarm optimisation (EPSO) algorithm was proposed to determine the transformer fault type. The superiority of the modified PSO technique with SVM was evaluated by comparing the results with the actual fault diagnosis, unoptimised SVM and previous reported works. Data reduction was also applied using stepwise regression prior to the training process of SVM to reduce the training time. It was found that the proposed hybrid SVM-Modified EPSO (MEPSO)-Time Varying Acceleration Coefficient (TVAC) technique results in the highest correct identification percentage of faults in a power transformer compared to other PSO algorithms. Thus, the proposed technique can be one of the potential solutions to identify the transformer fault type based on DGA data on site.
[Mh] Termos MeSH primário: Fontes de Energia Elétrica
Gases/análise
Centrais Elétricas
[Mh] Termos MeSH secundário: Algoritmos
Fontes de Energia Elétrica/estatística & dados numéricos
Falha de Equipamento/estatística & dados numéricos
Manutenção
Óleo Mineral/química
Modelos Estatísticos
Centrais Elétricas/estatística & dados numéricos
Análise de Regressão
Máquina de Vetores de Suporte
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Gases); 8020-83-5 (Mineral Oil)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180302
[Lr] Data última revisão:
180302
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180126
[St] Status:MEDLINE
[do] DOI:10.1371/journal.pone.0191366


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[PMID]:29300076
[Au] Autor:Gilbert S; Singh D; Sivakumar MK
[Ad] Endereço:Department of cardiothoracic surgery. Kovai medical center and hospital limited. Post box no. 3209, Avanashi road, Coimbatore - 641014, Tamil Nadu, India.
[Ti] Título:Modified carbodissection: A new technique for harvesting the internal mammary artery.
[So] Source:Multimed Man Cardiothorac Surg;2017, 2017 Oct 29.
[Is] ISSN:1813-9175
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:The modified carbodissection technique is a new technique for harvesting the internal mammary artery during coronary artery bypass graft surgery. It is performed using an improvised instrument that consists of an electrocautery device and a carbon dioxide blower/mister. It combines electrocautery dissection and continuous controlled gas blow dissection along with saline irrigation mist. Gas dissection causes vasodilation and maintains the artery in a dilated state during dissection. Saline flow reduces the amount of heat generated at the cautery site and prevents drying and desiccation of the tissues. This technique is safe in terms of reduced thermal injury, and reduced early arterial spasm and myocardial ischemia, and it improves vision during harvest and shortens the duration of the harvesting procedure.
[Mh] Termos MeSH primário: Ponte de Artéria Coronária
Dissecação/métodos
Eletrocirurgia/métodos
Artéria Torácica Interna/cirurgia
Coleta de Tecidos e Órgãos/métodos
[Mh] Termos MeSH secundário: Dióxido de Carbono/uso terapêutico
Gases/uso terapêutico
Seres Humanos
Artéria Torácica Interna/transplante
[Pt] Tipo de publicação:VIDEO-AUDIO MEDIA
[Nm] Nome de substância:
0 (Gases); 142M471B3J (Carbon Dioxide)
[Em] Mês de entrada:1803
[Cu] Atualização por classe:180302
[Lr] Data última revisão:
180302
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180105
[St] Status:MEDLINE
[do] DOI:10.1510/mmcts.2017.018


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[PMID]:29024887
[Au] Autor:Liu Y; Wang Y; Wang Q; Pan J; Zhang J
[Ad] Endereço:School of Energy and Power Engineering, Jiangsu University, Zhenjiang, Jiangsu 212013, China. Electronic address: liuyx1984@126.com.
[Ti] Título:Simultaneous removal of NO and SO using vacuum ultraviolet light (VUV)/heat/peroxymonosulfate (PMS).
[So] Source:Chemosphere;190:431-441, 2018 Jan.
[Is] ISSN:1879-1298
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Simultaneous removal process of SO and NO from flue gas using vacuum ultraviolet light (VUV)/heat/peroxymonosulfate (PMS) in a VUV spraying reactor was proposed. The key influencing factors, active species, reaction products and mechanism of SO and NO simultaneous removal were investigated. The results show that vacuum ultraviolet light (185 nm) achieves the highest NO removal efficiency and yield of and under the same test conditions. NO removal is enhanced at higher PMS concentration, light intensity and oxygen concentration, and is inhibited at higher NO concentration, SO concentration and solution pH. Solution temperature has a double impact on NO removal. CO concentration has no obvious effect on NO removal. and produced from VUV-activation of PMS play a leading role in NO removal. O and ·O produced from VUV-activation of O also play an important role in NO removal. SO achieves complete removal under all experimental conditions due to its very high solubility in water and good reactivity. The highest simultaneous removal efficiency of SO and NO reaches 100% and 91.3%, respectively.
[Mh] Termos MeSH primário: Poluentes Atmosféricos/isolamento & purificação
Recuperação e Remediação Ambiental/métodos
Temperatura Alta
Óxido Nítrico/isolamento & purificação
Peróxidos/química
Dióxido de Enxofre/isolamento & purificação
Raios Ultravioleta
[Mh] Termos MeSH secundário: Gases
Oxigênio/química
Vácuo
Água/química
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Air Pollutants); 0 (Gases); 0 (Peroxides); 059QF0KO0R (Water); 0UZA3422Q4 (Sulfur Dioxide); 22047-43-4 (peroxymonosulfate); 31C4KY9ESH (Nitric Oxide); S88TT14065 (Oxygen)
[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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[PMID]:29349451
[Au] Autor:Habka S; Sohn WY; Vaquero-Vara V; Géléoc M; Tardivel B; Brenner V; Gloaguen E; Mons M
[Ad] Endereço:LIDYL, CEA, CNRS, Université Paris Saclay, CEA Saclay, Bât 522, 91191 Gif-sur-Yvette, France. michel.mons@cea.fr.
[Ti] Título:On the turn-inducing properties of asparagine: the structuring role of the amide side chain, from isolated model peptides to crystallized proteins.
[So] Source:Phys Chem Chem Phys;20(5):3411-3423, 2018 Jan 31.
[Is] ISSN:1463-9084
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Asparagine (Asn) is a powerful turn-inducer residue, with a large propensity to occupy the second position in the central region of ß-turns of proteins. The present work aims at investigating the role of a local anchoring between the Asn side chain and the main chain in this remarkable property. For this purpose, the H-bonding patterns of an asparagine residue in an isolated protein chain fragment forming a γ- or a ß-turn have been determined using IR/UV double resonance gas phase spectroscopy on laser-desorbed, jet-cooled short models in conjunction with relevant quantum chemistry calculations. These gas phase data provide evidence for an original double anchoring linking the Asn primary amide side chain (SC), which adopts a gauche+ rotameric form, to its main chain (MC) local environment. From both IR spectroscopic evidence (H-bond induced red shifts) and quantum chemistry, Asn SC is found to behave as a stronger H-bond acceptor than donor, resulting in stronger MC→SC H-bonds than SC→MC ones. These gas phase structural data, relevant to a hydrophobic environment, have been used as a reference to assess the anchoring taking place in high resolution crystallized proteins of the Protein Data Bank. This approach reveals that, when the SC adopts a gauche+ orientation, the stronger MC→SC bonds are preserved in many cases whereas the SC→MC bonds are always disrupted, in qualitative agreement with the gas phase ranking of these interactions. Most interestingly, when Asn occupies the second position of central part of a ß-turn (i.e., the very turn-inducer position), the MC→SC H-bonds are also disrupted and replaced by a water-mediated SC to MC anchoring. Owing to the specific features of the hydrated Asn side chain, we propose that it could be a turn precursor structure, able to facilitate turn formation in the early events of the folding process.
[Mh] Termos MeSH primário: Asparagina/química
Peptídeos/química
[Mh] Termos MeSH secundário: Amidas/química
Gases/química
Ligações de Hidrogênio
Estrutura Secundária de Proteína
Teoria Quântica
Espectrofotometria Infravermelho
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Amides); 0 (Gases); 0 (Peptides); 7006-34-0 (Asparagine)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180226
[Lr] Data última revisão:
180226
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180120
[St] Status:MEDLINE
[do] DOI:10.1039/c7cp07605c


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[PMID]:29367147
[Au] Autor:Aslam A; Thomas-Hall SR; Manzoor M; Jabeen F; Iqbal M; Uz Zaman Q; Schenk PM; Asif Tahir M
[Ad] Endereço:Department of Environmental Science, University of Lahore, Lahore, Pakistan; Algae Biotechnology Laboratory, School of Agriculture and Food Sciences, University of Queensland, Brisbane, Queensland 4072, Australia. Electronic address: ambreenaslam86@hotmail.com.
[Ti] Título:Mixed microalgae consortia growth under higher concentration of CO from unfiltered coal fired flue gas: Fatty acid profiling and biodiesel production.
[So] Source:J Photochem Photobiol B;179:126-133, 2018 Feb.
[Is] ISSN:1873-2682
[Cp] País de publicação:Switzerland
[La] Idioma:eng
[Ab] Resumo:Biodiesel is produced by transesterification of fatty acid methyl esters (FAME) from oleaginous microalgae feedstock. Biodiesel fuel properties were studied and compared with biodiesel standards. Qualitative analysis of FAME was done while cultivating mixed microalgae consortia under three concentrations of coal fired flue gas (1%, 3.0% and 5.5% CO ). Under 1% CO concentration (flue gas), the FAME content was 280.3 µg/mL, whereas the lipid content was 14.03 µg/mL/D (day). Both FAMEs and lipid contents were low at other CO concentrations (3.0 and 5.5%). However, mixed consortia in the presence of phosphate buffer and flue gas (PB + FG) showed higher saturated fatty acids (SFA) (36.28%) and unsaturated fatty acids (UFA) (63.72%) versus 5.5% CO concentration, which might be responsible for oxidative stability of biodiesel. Subsequently, higher cetane number (52) and low iodine value (136.3 gI /100 g) biodiesel produced from mixed consortia (PB + FG) under 5.5% CO along with 50 mM phosphate buffer were found in accordance with European (EN 14214) standard. Results revealed that phosphate buffer significantly enhanced the biodiesel quality, but reduced the FAME yield. This study intended to develop an integrated approach for significant improvement in biodiesel quality under surplus phosphorus by utilizing waste flue gas (as CO source) using microalgae. The CO sequestration from industrial flue gas not only reduced greenhouse gases, but may also ensure the sustainable and eco-benign production of biodiesel.
[Mh] Termos MeSH primário: Biocombustíveis
Dióxido de Carbono/metabolismo
Ácidos Graxos/análise
Microalgas/metabolismo
[Mh] Termos MeSH secundário: Biomassa
Dióxido de Carbono/química
Cromatografia Gasosa
Carvão Mineral/análise
Ácidos Graxos/metabolismo
Gases/química
Espectrometria de Massas
Microalgas/crescimento & desenvolvimento
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Biofuels); 0 (Coal); 0 (Fatty Acids); 0 (Gases); 142M471B3J (Carbon Dioxide)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180223
[Lr] Data última revisão:
180223
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:180126
[St] Status:MEDLINE


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[PMID]:27773548
[Au] Autor:Hadidi LA; Omer MM
[Ad] Endereço:Construction Engineering and Management Department, King Fahd University of Petroleum and Minerals, Saudi Arabia. Electronic address: lhadidi@kfupm.edu.sa.
[Ti] Título:A financial feasibility model of gasification and anaerobic digestion waste-to-energy (WTE) plants in Saudi Arabia.
[So] Source:Waste Manag;59:90-101, 2017 Jan.
[Is] ISSN:1879-2456
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Municipal Solid Waste (MSW) generation in Saudi Arabia is increasingly growing at a fast rate, as it hurtles towards ever increasing urban development coupled with rapid developments and expanding population. Saudi Arabia's energy demands are also rising at a faster rate. Therefore, the importance of an integrated waste management system in Saudi Arabia is increasingly rising and introducing Waste to Energy (WTE) facilities is becoming an absolute necessity. This paper analyzes the current situation of MSW management in Saudi Arabia and proposes a financial model to assess the viability of WTE investments in Saudi Arabia in order to address its waste management challenges and meet its forecasted energy demands. The research develops a financial model to investigate the financial viability of WTE plants utilizing gasification and Anaerobic Digestion (AD) conversion technologies. The financial model provides a cost estimate of establishing both gasification and anaerobic digestion WTE plants in Saudi Arabia through a set of financial indicators, i.e. net present value (NPV), internal rate of return (IRR), modified internal rate of return (MIRR), profitability index (PI), payback period, discounted payback period, Levelized Cost of Electricity (LCOE) and Levelized Cost of Waste (LCOW). Finally, the analysis of the financial model reveals the main affecting factors of the gasification plants investment decision, namely: facility generation capacity, generated electricity revenue, and the capacity factor. Similarly, the paper also identifies facility waste capacity and the capacity factor as the main affecting factors on the AD plants' investment decision.
[Mh] Termos MeSH primário: Conservação de Recursos Energéticos
Eliminação de Resíduos/economia
Resíduos Sólidos/análise
Gerenciamento de Resíduos/economia
[Mh] Termos MeSH secundário: Cidades
Eletricidade
Gases/análise
Modelos Estatísticos
Modelos Teóricos
Arábia Saudita
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Gases); 0 (Solid Waste)
[Em] Mês de entrada:1705
[Cu] Atualização por classe:180207
[Lr] Data última revisão:
180207
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:161025
[St] Status:MEDLINE


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[PMID]:27771200
[Au] Autor:Kataki S; Hazarika S; Baruah DC
[Ad] Endereço:Energy Conservation Laboratory, Department of Energy, Tezpur University, Assam, India. Electronic address: sam_kat@tezu.ernet.in.
[Ti] Título:Assessment of by-products of bioenergy systems (anaerobic digestion and gasification) as potential crop nutrient.
[So] Source:Waste Manag;59:102-117, 2017 Jan.
[Is] ISSN:1879-2456
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Alternative fertilizer resources have drawn attention in recent times in order to cope up with ever increasing demand for fertilizer. By-products of bioenergy system are considered favourable as organic fertilizer due to their ability to recycle plant nutrients. Present study evaluates fertilizer suitability of by-products of two bioenergy systems viz. 3 types of anaerobic digestion by-products (digestate) from local surplus biomass such as cowdung, Ipomoea carnea:cowdung (60:40) and ricestraw:green gram stover:cowdung (30:30:40) and one gasification by-product (biochar) from rice husk. Digestates were assessed considering 4 different application options of each viz. whole, solid, liquid and ash from solid digestates. Digestate characteristics (organic matter, macronutrients, micronutrients and heavy metal content) were found to be a function of feedstock and processing (solid liquid separation and ashing). Ipomoea carnea based digestates in all application options showed comparatively higher N, P, K, NH -N, Ca, Mg, S and micro nutrient content than other digestates. Separation concentrated plant nutrients and organic matter in solid digestates, making these suitable both as organic amendments and fertilizer. Separated liquid digestate shared larger fraction of ammonium nitrogen (61-91% of total content), indicating their suitability as readily available N source. However, fertilizer application of liquid digestate may not match crop requirements due to lower total nutrient concentration. Higher electrical conductivity of the liquid digestates (3.4-9.3mScm ) than solid digestates (1.5-2mScm ) may impart phyto-toxic effect upon fertilization due to salinity. In case of by-products with unstable organic fraction i.e. whole and solid digestates of rice straw:green gram stover:cowdung digestates (Humification index 0.7), further processing (stabilization, composting) may be required to maximize their fertilizer benefit. Heavy metal contents of the by-products were found to be within the permitted range specified for organic fertilizer (vermicompost) in India. However, higher Al content of the digestates in whole, solid and ash phase (0.06-16.97gkg fresh matter) can be a concern in acid soil which may cause Al toxicity. Understanding on agrochemical characteristics of bioenergy by-products with varying feedstock and application option is expected to promote their valorization opportunities considering user specific requirements. In the context of agriculturally dominant but energy deficient rural Indian scenario, integrated production of bioenergy and by-product based fertilizer could be very significant to meet the critical additional requirement of both energy and fertilizer.
[Mh] Termos MeSH primário: Agricultura/métodos
Produtos Agrícolas/química
Fertilizantes/análise
Nitrogênio/análise
Eliminação de Resíduos/métodos
Esgotos/química
Solo/química
[Mh] Termos MeSH secundário: Amônia/química
Anaerobiose
Biomassa
Conservação dos Recursos Naturais
Fontes Geradoras de Energia
Gases
Concentração de Íons de Hidrogênio
Índia
Ipomoea
Metais Pesados/análise
Nitrogênio/química
Compostos Orgânicos
Resíduos Sólidos
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Fertilizers); 0 (Gases); 0 (Metals, Heavy); 0 (Organic Chemicals); 0 (Sewage); 0 (Soil); 0 (Solid Waste); 7664-41-7 (Ammonia); N762921K75 (Nitrogen)
[Em] Mês de entrada:1705
[Cu] Atualização por classe:180207
[Lr] Data última revisão:
180207
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:161025
[St] Status:MEDLINE


  10 / 18461 MEDLINE  
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[PMID]:29177351
[Au] Autor:Oh MI; Consta S
[Ad] Endereço:Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada.
[Ti] Título:What factors determine the stability of a weak protein-protein interaction in a charged aqueous droplet?
[So] Source:Phys Chem Chem Phys;19(47):31965-31981, 2017 Dec 06.
[Is] ISSN:1463-9084
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:Maintaining the interface of a weak transient protein complex transferred from bulk solution to the gaseous state via evaporating droplets is a critical question in the detection of the complex association (dissociation) constant by using electrospray ionization mass spectrometry (ESI-MS). Here we explore the factors that may affect the stability of a protein-protein interaction (PPI) using atomistic molecular dynamics (MD) modelling of a complex of ubiquitin (Ub) and the ubiquitin-associated domain (UbA) (RCSB PDB code ) and a non-covalent complex of diubiquitin (RCSB PDB code ) in aqueous droplets. A general method is presented to determine the protonation states of the complexes we investigate in particular, and that of a protein in general, under various pH conditions that an evaporating droplet acquires due to its change in size. We find that the combination of high temperature and high charge states of the protein complexes may destabilize the interface by creating new interfaces instead of a direct rupture of the initial stable interface. We provide evidence that highly charged protein complexes are found in droplets that form conical extrusions of the solvent on the surface due to charge-induced instability. This distinct droplet morphology leads to a higher solvent evaporation rate that assists in transferring the complex in the gaseous state without dissociation. The conical solvent protrusions expose on the droplet surface certain amino acids that otherwise would be solvated in a droplet with the protein complex of low charge states. The new vapor-protein interface does not have a direct effect on the stability of the PPI. A common way in experiments to stabilize the protein complexes in droplets is to reduce the protonation state of the proteins. Here we find that weakly bound protein complexes even at high protonation states can be stabilized by the presence of a small number of counterions, without affecting the protonation state of the protein. Our findings may provide guiding principles in ESI-MS experiments to stabilize weak transient PPIs.
[Mh] Termos MeSH primário: Estabilidade Proteica
Proteínas/química
Água/química
[Mh] Termos MeSH secundário: Eletroquímica
Gases/química
Modelos Químicos
Simulação de Dinâmica Molecular
Solventes
Ubiquitina/química
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Gases); 0 (Proteins); 0 (Solvents); 0 (Ubiquitin); 059QF0KO0R (Water)
[Em] Mês de entrada:1802
[Cu] Atualização por classe:180205
[Lr] Data última revisão:
180205
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:171128
[St] Status:MEDLINE
[do] DOI:10.1039/c7cp05043g



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