Base de dados : MEDLINE
Pesquisa : D01.029.260.300 [Categoria DeCS]
Referências encontradas : 96 [refinar]
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  1 / 96 MEDLINE  
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[PMID]:27586953
[Au] Autor:La Penna G; Mori Y; Kitahara R; Akasaka K; Okamoto Y
[Ad] Endereço:Institute for Chemistry of Organo-Metallic Compounds (ICCOM), National Research Council of Italy (Cnr), Via Madonna del Piano 10, I-50019 Sesto Fiorentino, Firenze, Italy.
[Ti] Título:Modeling (15)N NMR chemical shift changes in protein backbone with pressure.
[So] Source:J Chem Phys;145(8):085104, 2016 Aug 28.
[Is] ISSN:1089-7690
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:Nitrogen chemical shift is a useful parameter for determining the backbone three-dimensional structure of proteins. Empirical models for fast calculation of N chemical shift are improving their reliability, but there are subtle effects that cannot be easily interpreted. Among these, the effects of slight changes in hydrogen bonds, both intramolecular and with water molecules in the solvent, are particularly difficult to predict. On the other hand, these hydrogen bonds are sensitive to changes in protein environment. In this work, the change of N chemical shift with pressure for backbone segments in the protein ubiquitin is correlated with the change in the population of hydrogen bonds involving the backbone amide group. The different extent of interaction of protein backbone with the water molecules in the solvent is put in evidence.
[Mh] Termos MeSH primário: Isótopos de Nitrogênio
Ressonância Magnética Nuclear Biomolecular
Pressão
Ubiquitina/química
[Mh] Termos MeSH secundário: Ácido Bromídrico
Ressonância Magnética Nuclear Biomolecular/métodos
Conformação Proteica
Solventes/química
Água/química
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
0 (Nitrogen Isotopes); 0 (Solvents); 0 (Ubiquitin); 059QF0KO0R (Water); 3IY7CNP8XJ (Hydrobromic Acid)
[Em] Mês de entrada:1702
[Cu] Atualização por classe:170213
[Lr] Data última revisão:
170213
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:160903
[St] Status:MEDLINE
[do] DOI:10.1063/1.4961507


  2 / 96 MEDLINE  
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[PMID]:26473634
[Au] Autor:Bedjanian Y; Morin J; Romanias MN
[Ad] Endereço:Institut de Combustion, Aérothermique, Réactivité et Environnement (ICARE), CNRS and Université d'Orléans , 45071 Cedex 2, Orléans, France.
[Ti] Título:Gas-Phase Reaction of Hydroxyl Radical with p-Cymene over an Extended Temperature Range.
[So] Source:J Phys Chem A;119(45):11076-83, 2015 Nov 12.
[Is] ISSN:1520-5215
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:The kinetics of the reaction of OH radicals with p-cymene has been studied in the temperature range of 243-898 K using a flow reactor combined with a quadrupole mass spectrometer: OH + p-cymene → products. The reaction rate constant was determined as a result of absolute measurements, from OH decay kinetics in excess of p-cymene and employing the relative rate method with OH reactions with n-pentane, n-heptane,1,3-dioxane, HBr, and Br2 as the reference ones. For the rate coefficient of the H atom abstraction channel, the expression k1b = (3.70 ± 0.42) × 10(-11) exp[-(772 ± 72)/T] was obtained over the temperature range of 381-898 K. The total rate constant (addition + abstraction) determined at T = 243-320 K was k1 = (1.82 ± 0.48) × 10(-12) exp[(607 ± 70)/T] or, in a biexponential form, k1 = k1a + k1b = 3.7 × 10(-11) exp(-772/T) + 6.3 × 10(-13) exp(856/T), independent of the pressure between 1 and 5 Torr of helium. In addition, our results indicate that the reaction pathway involving alkyl radical elimination upon initial addition of OH to p-cymene is most probably unimportant.
[Mh] Termos MeSH primário: Gases/química
Radical Hidroxila/química
Monoterpenos/química
Temperatura Ambiente
[Mh] Termos MeSH secundário: Ácidos não Carboxílicos/química
Ácidos Bóricos/química
Hélio/química
Heptanos/química
Ácido Bromídrico/química
Hidrogênio/química
Cinética
Espectrometria de Massas
Pentanos/química
Pressão
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Acids, Noncarboxylic); 0 (Boric Acids); 0 (Gases); 0 (Heptanes); 0 (Monoterpenes); 0 (Pentanes); 0 (bromic acid); 1G1C8T1N7Q (4-cymene); 206GF3GB41 (Helium); 3352-57-6 (Hydroxyl Radical); 3IY7CNP8XJ (Hydrobromic Acid); 456148SDMJ (n-heptane); 4FEX897A91 (pentane); 7YNJ3PO35Z (Hydrogen); R57ZHV85D4 (boric acid)
[Em] Mês de entrada:1608
[Cu] Atualização por classe:151112
[Lr] Data última revisão:
151112
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:151017
[St] Status:MEDLINE
[do] DOI:10.1021/acs.jpca.5b08478


  3 / 96 MEDLINE  
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[PMID]:26141888
[Au] Autor:Zhang Y; Zhao L; Guo R; Song N; Wang J; Cao Y; Orndorff W; Pan WP
[Ad] Endereço:Key Laboratory of Condition Monitoring and Control for Power Plant Equipment, Ministry of Education, North China Electric Power University, Beijing 102206, China. Electronic address: yszhang@ncepu.edu.cn.
[Ti] Título:Mercury adsorption characteristics of HBr-modified fly ash in an entrained-flow reactor.
[So] Source:J Environ Sci (China);33:156-62, 2015 Jul 01.
[Is] ISSN:1001-0742
[Cp] País de publicação:Netherlands
[La] Idioma:eng
[Ab] Resumo:In this study, the mercury adsorption characteristics of HBr-modified fly ash in an entrained-flow reactor were investigated through thermal decomposition methods. The results show that the mercury adsorption performance of the HBr-modified fly ash was enhanced significantly. The mercury species adsorbed by unmodified fly ash were HgCl2, HgS and HgO. The mercury adsorbed by HBr-modified fly ash, in the entrained-flow reactor, existed in two forms, HgBr2 and HgO, and the HBr was the dominant factor promoting oxidation of elemental mercury in the entrained-flow reactor. In the current study, the concentration of HgBr2 and HgO in ash from the fine ash vessel was 4.6 times greater than for ash from the coarse ash vessel. The fine ash had better mercury adsorption performance than coarse ash, which is most likely due to the higher specific surface area and longer residence time.
[Mh] Termos MeSH primário: Poluentes Atmosféricos/química
Cinza de Carvão/química
Ácido Bromídrico/química
Compostos de Mercúrio/química
[Mh] Termos MeSH secundário: Adsorção
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Air Pollutants); 0 (Coal Ash); 0 (Mercury Compounds); 3IY7CNP8XJ (Hydrobromic Acid)
[Em] Mês de entrada:1509
[Cu] Atualização por classe:150704
[Lr] Data última revisão:
150704
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:150705
[St] Status:MEDLINE


  4 / 96 MEDLINE  
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[PMID]:26010555
[Au] Autor:Song S; Sun X; Li X; Yuan Y; Jiao N
[Ad] Endereço:†State Key Laboratory of Natural and Biomimetic Drugs, Peking University, School of Pharmaceutical Sciences, Peking University, Xue Yuan Road 38, Beijing 100191, China.
[Ti] Título:Efficient and Practical Oxidative Bromination and Iodination of Arenes and Heteroarenes with DMSO and Hydrogen Halide: A Mild Protocol for Late-Stage Functionalization.
[So] Source:Org Lett;17(12):2886-9, 2015 Jun 19.
[Is] ISSN:1523-7052
[Cp] País de publicação:United States
[La] Idioma:eng
[Ab] Resumo:An efficient and practical system for inexpensive bromination and iodination of arenes as well as heteroarenes by using readily available dimethyl sulfoxide (DMSO) and HX (X = Br, I) reagents is reported. This mild oxidative system demonstrates a versatile protocol for the synthesis of aryl halides. HX (X = Br, I) are employed as halogenating reagents when combined with DMSO which participates in the present chemistry as a mild and inexpensive oxidant. This oxidative system is amenable to late-stage bromination of natural products. The kilogram-scale experiment (>95% yield) shows great potential for industrial application.
[Mh] Termos MeSH primário: Ácidos/química
Derivados de Benzeno/química
Produtos Biológicos/síntese química
Dimetil Sulfóxido/química
Ácido Bromídrico/química
Compostos de Iodo/química
[Mh] Termos MeSH secundário: Produtos Biológicos/química
Halogenação
Estrutura Molecular
Oxirredução
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Acids); 0 (Benzene Derivatives); 0 (Biological Products); 0 (Iodine Compounds); 3IY7CNP8XJ (Hydrobromic Acid); 694C0EFT9Q (hydroiodic acid); YOW8V9698H (Dimethyl Sulfoxide)
[Em] Mês de entrada:1510
[Cu] Atualização por classe:150619
[Lr] Data última revisão:
150619
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:150527
[St] Status:MEDLINE
[do] DOI:10.1021/acs.orglett.5b00932


  5 / 96 MEDLINE  
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[PMID]:25982818
[Au] Autor:Cicerone MT; Pikal MJ; Qian KK
[Ad] Endereço:Materials Measurement Lab, National Institute of Standards and Technology, Gaithersburg, MD 20899-8543, USA; Institute for Physical Science and Technology, University of Maryland, College Park, MD 20742, USA. Electronic address: cicerone@nist.gov.
[Ti] Título:Stabilization of proteins in solid form.
[So] Source:Adv Drug Deliv Rev;93:14-24, 2015 Oct 01.
[Is] ISSN:1872-8294
[Cp] País de publicação:Netherlands
[La] Idioma:eng
[Ab] Resumo:Immunogenicity of aggregated or otherwise degraded protein delivered from depots or other biopharmaceutical products is an increasing concern, and the ability to deliver stable, active protein is of central importance. We review characterization approaches for solid protein dosage forms with respect to metrics that are intended to be predictive of protein stability against aggregation and other degradation processes. Each of these approaches is ultimately motivated by hypothetical connections between protein stability and the material property being measured. We critically evaluate correlations between these properties and stability outcomes, and use these evaluations to revise the currently standing hypotheses. Based on this we provide simple physical principles that are necessary (and possibly sufficient) for generating solid delivery vehicles with stable protein loads. Essentially, proteins should be strongly coupled (typically through H-bonds) to the bulk regions of a phase-homogeneous matrix with suppressed ß relaxation. We also provide a framework for reliable characterization of solid protein forms with respect to stability.
[Mh] Termos MeSH primário: Sistemas de Liberação de Medicamentos
Estabilidade de Medicamentos
Proteínas/química
[Mh] Termos MeSH secundário: Química Farmacêutica/métodos
Preparações de Ação Retardada
Seres Humanos
Ácido Bromídrico
Proteínas/administração & dosagem
Proteínas/imunologia
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, N.I.H., EXTRAMURAL; REVIEW
[Nm] Nome de substância:
0 (Delayed-Action Preparations); 0 (Proteins); 3IY7CNP8XJ (Hydrobromic Acid)
[Em] Mês de entrada:1601
[Cu] Atualização por classe:170220
[Lr] Data última revisão:
170220
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:150519
[St] Status:MEDLINE


  6 / 96 MEDLINE  
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[PMID]:25872169
[Au] Autor:Decka D; Schwaab G; Havenith M
[Ad] Endereço:Department of Physical Chemistry II, Ruhr-University Bochum, Germany. gerhard.schwaab@rub.de.
[Ti] Título:A THz/FTIR fingerprint of the solvated proton: evidence for Eigen structure and Zundel dynamics.
[So] Source:Phys Chem Chem Phys;17(17):11898-907, 2015 May 07.
[Is] ISSN:1463-9084
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:In continuation of earlier work on La(III), Ni(II) and Mn(II) halides, we present low frequency (30-400 cm(-1)) spectra of solvated HCl and HBr as a function of solute concentration. This frequency range provides direct access to water network modes and changes induced by solvated solutes. We were able to dissect the spectra into components associated to solvated ions and ion pairs using a chemical equilibrium model in combination with principal component analysis. While the Cl(-) rattling mode at 190 cm(-1) is found to be unchanged, the Br(-) resonance around 90 cm(-1) is decreased in intensity below the detection threshold when replacing the divalent or trivalent metal ions by a proton. The solvated proton shows two resonances: a solvation water mode around 140 cm(-1) and a high frequency resonance at 325 cm(-1) that we assign to the rattling motion of an Eigen structure H3O(+) in its solvation cage. This assignment is corroborated by isotopic substitution measurements which show a redshift of the high frequency peak when HCl/H2O is replaced by DCl/D2O. The linewidth of the H3O(+) rattling mode corresponds to a relaxation time of the oscillatory process of τ ≈ 60 fs, considerably faster than the relaxation time of τ ≈ 160 fs for Cl(-). In addition, we find a broad background that we attribute to fast non-oscillatory motions of a proton in a Zundel-like complex. Our results are in agreement with an Eigen-Zundel-Eigen (EZE) model of proton transport. Upon ion pairing the broad background is strongly reduced indicating a reduction of fast proton transfer processes. The Cl(-) resonance blueshifts by 20 cm(-1) which indicates a transition from free ions to a solvent shared ion pair. Surprisingly, the center frequency of the Eigen complex does not change upon ion pairing. This can be rationalized in terms of an unchanged local solvation structure.
[Mh] Termos MeSH primário: Ácido Bromídrico/química
Ácido Clorídrico/química
Simulação de Dinâmica Molecular
Prótons
[Mh] Termos MeSH secundário: Estrutura Molecular
Solubilidade
Espectroscopia de Infravermelho com Transformada de Fourier
Água/química
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Protons); 059QF0KO0R (Water); 3IY7CNP8XJ (Hydrobromic Acid); QTT17582CB (Hydrochloric Acid)
[Em] Mês de entrada:1602
[Cu] Atualização por classe:150422
[Lr] Data última revisão:
150422
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:150415
[St] Status:MEDLINE
[do] DOI:10.1039/c5cp01035g


  7 / 96 MEDLINE  
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[PMID]:25119318
[Au] Autor:Zhang AJ; Jia J; Wu HS; He GZ
[Ad] Endereço:Key Laboratory of Magnetic Molecules, Magnetic information Materials Ministry of Education, School of Chemistry and Material Science, Shanxi Normal University, Linfen, 041004, China.
[Ti] Título:Quantum dynamics study of H + DBr and D + HBr reaction.
[So] Source:J Mol Model;20(9):2367, 2014 Sep.
[Is] ISSN:0948-5023
[Cp] País de publicação:Germany
[La] Idioma:eng
[Ab] Resumo:Time-dependent quantum wave packet calculations have been performed for the H + DBr and D + HBr reaction using the recent diabatic potential energy surfaces. Reaction probabilities, integral cross sections, and rate constants are obtained. The results show that the isotopic effects have an influence on the nonadiabatic effect which is generally inversely proportional to the atom mass. The calculated rate constants are in good overall agreement with experimental values, indicating that the ab initio surfaces are accurate to describe the isotopic effects.
[Mh] Termos MeSH primário: Ácido Bromídrico/química
Hidrogênio/química
Modelos Químicos
Simulação de Dinâmica Molecular
Teoria Quântica
[Mh] Termos MeSH secundário: Transferência de Energia
Cinética
[Pt] Tipo de publicação:JOURNAL ARTICLE
[Nm] Nome de substância:
3IY7CNP8XJ (Hydrobromic Acid); 7YNJ3PO35Z (Hydrogen)
[Em] Mês de entrada:1511
[Cu] Atualização por classe:171013
[Lr] Data última revisão:
171013
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:140815
[St] Status:MEDLINE
[do] DOI:10.1007/s00894-014-2367-5


  8 / 96 MEDLINE  
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[PMID]:24945793
[Au] Autor:Grabda M; Oleszek S; Shibata E; Nakamura T
[Ad] Endereço:Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 1,1 Katahira, 2-Chome, Aoba-ku, Sendai 980-8577, Japan; Institute of Environmental Engineering of the Polish Academy of Sciences, M. Sklodowska-Curie 34, 41-819 Zabrze, Poland. Electronic address: mariusz@mail
[Ti] Título:Study on simultaneous recycling of EAF dust and plastic waste containing TBBPA.
[So] Source:J Hazard Mater;278:25-33, 2014 Aug 15.
[Is] ISSN:1873-3336
[Cp] País de publicação:Netherlands
[La] Idioma:eng
[Ab] Resumo:In the present work we investigated the fates of zinc, lead, and iron present in electric arc furnace dust during thermal treatment of the dust with tetrabromobisphenol A (TBBPA) and tetrabromobisphenol A diglycidyl ether (TBBPADGE). Mixtures of these materials were compressed into pellets and heated in a laboratory-scale furnace at 550 °C for 80 min, under oxidizing and inert conditions. The solid, condensed, and gaseous-phase products were characterized using an array of analytical methods: scanning electron microscopy, X-ray diffraction, electron probe microscopy, inductively coupled plasma, ion chromatography, and gas chromatography. The results indicated that heating the mixtures under specific conditions enabled high separation of zinc and lead from iron-rich residues, by a bromination-evaporation process. In the case of TBBPADGE, a maximum of 85% of zinc and 81% of lead were effectively separated under the above conditions. The process is based on the reaction between the highly reactive HBr gas evolved during thermal degradation of the flame-retarded materials with zinc (ZnO and ZnFe2O4) and lead in the dust, followed by complete evaporation of the formed metallic bromides from the solid residue.
[Mh] Termos MeSH primário: Retardadores de Chama
Ferro/química
Chumbo/química
Bifenil Polibromatos/química
Zinco/química
[Mh] Termos MeSH secundário: Poeira
Poluentes Ambientais/química
Ácido Bromídrico/química
Incineração
Resíduos Industriais
Plásticos
Reciclagem/métodos
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
0 (Dust); 0 (Environmental Pollutants); 0 (Flame Retardants); 0 (Industrial Waste); 0 (Plastics); 0 (Polybrominated Biphenyls); 2P299V784P (Lead); 3072-84-2 (tetrabromobisphenol A diglycidyl ether); 3IY7CNP8XJ (Hydrobromic Acid); E1UOL152H7 (Iron); FQI02RFC3A (tetrabromobisphenol A); J41CSQ7QDS (Zinc)
[Em] Mês de entrada:1504
[Cu] Atualização por classe:140726
[Lr] Data última revisão:
140726
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:140620
[St] Status:MEDLINE


  9 / 96 MEDLINE  
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[PMID]:24747844
[Au] Autor:Tyagi A; Arya U; Vidhani B; Prasad V
[Ad] Endereço:Department of Physics, Swami Shraddhanand College, University of Delhi, Delhi 110036, India. Electronic address: ashishtyagi.du@gmail.com.
[Ti] Título:Pulse train induced rotational excitation and orientation of a polar molecule.
[So] Source:Spectrochim Acta A Mol Biomol Spectrosc;129:193-200, 2014 Aug 14.
[Is] ISSN:1873-3557
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:We investigate theoretically the rotational excitation and field free molecular orientation of polar HBr molecule, interacting with train of ultrashort laser pulses. By adjusting the number of pulses, pulse period and the intensity of the pulse, one can suppress a population while simultaneously enhancing the desired population in particular rotational state. We have used train of laser pulses of different shaped pulse envelopes. The dynamics and orientation of molecules in the presence of pulse train of different shapes is studied and explained.
[Mh] Termos MeSH primário: Ácido Bromídrico/química
[Mh] Termos MeSH secundário: Lasers
Luz
Teoria Quântica
Fatores de Tempo
[Pt] Tipo de publicação:JOURNAL ARTICLE; RESEARCH SUPPORT, NON-U.S. GOV'T
[Nm] Nome de substância:
3IY7CNP8XJ (Hydrobromic Acid)
[Em] Mês de entrada:1501
[Cu] Atualização por classe:140527
[Lr] Data última revisão:
140527
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:140422
[St] Status:MEDLINE


  10 / 96 MEDLINE  
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[PMID]:24694219
[Au] Autor:Hurst J; Johnson D; Campbell R; Baxter S; Kratky V
[Ad] Endereço:Department of Ophthalmology, Queen's University , Kingston , Ontario.
[Ti] Título:Orbital compartment syndrome in a burn patient without aggressive fluid resuscitation.
[So] Source:Orbit;33(5):375-7, 2014 Oct.
[Is] ISSN:1744-5108
[Cp] País de publicação:England
[La] Idioma:eng
[Ab] Resumo:INTRODUCTION: Orbital compartment syndrome may rarely occur in the setting of burns where therapy includes aggressive fluid resuscitation. CASE: We report a case of bilateral orbital compartment syndrome in a 13-year-old male, with superficial facial burns secondary to hydrobromic acid, who did not receive aggressive fluid resuscitation. The patient was treated successfully with bilateral lateral canthotomy and cantholysis. COMMENT: Facial burns may lead to orbital compartment syndrome without aggressive fluid resuscitation, likely due to excessive leakage of fluid and protein into the orbit combined with an inflammatory reaction.
[Mh] Termos MeSH primário: Queimaduras Químicas/etiologia
Síndromes Compartimentais/etiologia
Queimaduras Oculares/induzido quimicamente
Traumatismos Faciais/induzido quimicamente
Hidratação
Ácido Bromídrico/efeitos adversos
Doenças Orbitárias/etiologia
[Mh] Termos MeSH secundário: Adolescente
Síndromes Compartimentais/cirurgia
Pálpebras/cirurgia
Seres Humanos
Pressão Intraocular
Masculino
Procedimentos Cirúrgicos Oftalmológicos
Doenças Orbitárias/cirurgia
Tomografia Computadorizada por Raios X
[Pt] Tipo de publicação:CASE REPORTS; JOURNAL ARTICLE
[Nm] Nome de substância:
3IY7CNP8XJ (Hydrobromic Acid)
[Em] Mês de entrada:1504
[Cu] Atualização por classe:140906
[Lr] Data última revisão:
140906
[Sb] Subgrupo de revista:IM
[Da] Data de entrada para processamento:140404
[St] Status:MEDLINE
[do] DOI:10.3109/01676830.2014.881400



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