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Synthesis and X-ray structure of the dinuclear platinum(II) complex with saccharin {K[Pt(sac)(3)(H2O)] center dot H2O}(2): Studies on its antiproliferative activity in aqueous solution

Cavicchioli, Mauricio; Massabni, Antonio Carlos; Castellano, Eduardo Ernesto; Sabeh, Lilian P. B.; Costa-Neto, Claudio M.
Fonte: Elsevier B.V. Publicador: Elsevier B.V.
Tipo: Artigo de Revista Científica Formato: 3055-3060
ENG
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Synthesis and X-ray structure of a dinuclear platinum(II) complex with the ligand saccharin(sac) are described. The structure shows two approximately square-planar platinum centers. Each platinum atom is coordinated to one water molecule and three N-bonded saccharinate ligands. The two centers are linked through two potassium atoms. Each potassium atom interacts with six oxygen atoms from hydration and coordinated water molecules and from carbonyl and sulfonate groups of the ligands. It is suggested that, in aqueous solution, the dimeric structure of the complex is dissociated and the monomeric species K[Pt(sac)(3)(H2O)] is formed. The complex was dissolved in water and submitted to in vitro cytotoxic analyses using HeLa cells (human cervix cancer). It was shown that the monomeric complex elicited a potent cytotoxic activity when compared to the vehicle-treated cells. The IC50 value for the monomeric complex is 6.8 mu M, a little bit higher than that obtained for cisplatin. (c) 2007 Elsevier B.V. All rights reserved.

Electrochemical behavior of a nitrobenzenesulfonyl derivative of aniline in aqueous solution

Boldrin Zanoni, M. V.; Rosa, I. L V; Pesquero, C. R.; Stradiotto, N. R.
Fonte: Universidade Estadual Paulista Publicador: Universidade Estadual Paulista
Tipo: Artigo de Revista Científica Formato: 223-227
ENG
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The electrochemical behavior of aniline protected by a nitrobenzene sulphonyl group in aqueous solution at a mercury electrode is reported. At pH < 10 the compound was reduced in a single well-defined step. Reduction of the nitro group involving a preceding protonation step was postulated. Two reduction steps are present at higher pH (pH > 11). Controlled potential electrolysis confirms that the reduction of the nitro group in a four-electron step to N-phenyl-4-hydroxylamine sulphonamide is always the preponderant process. ©1997 Soc. Bras. Química.

Determination of the phthalocyanine textile dye, reactive turquoise blue, by electrochemical techniques

Osugi, Marly E.; Carneiro, Patrícia A.; Zanoni, Maria Valnice Boldrin
Fonte: Universidade Estadual Paulista Publicador: Universidade Estadual Paulista
Tipo: Conferência ou Objeto de Conferência Formato: 660-665
ENG
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Turquoise blue 15 (AT15) is a reactive dye widely used in the textile industry to color natural fibers. The presence of these dyes in effluent and industrial wastewater is of considerable interest due ecotoxicological and environmental problems. The electrochemical reduction of this dye has been investigated in aqueous solution using cyclic voltammetry, controlled potential electrolysis and cathodic stripping voltammetry. Optimum conditions for dye discoloration by controlled potential electrolysis use an alkaline medium. Using cathodic stripping voltammetry a linear calibration graph was obtained from 5.00×10-8 mol L-1 to 1.00×10 -6 mol L-1 of AT15 at pH 4.0, using accumulation times of 180 and 240 s and an accumulation potential of 0.0 V. The proposed method was applied in direct determination of the dye in tap water and in textile industry effluent.

Acid dye biodegradation using saccharomyces cerevisiae immobilized with polyethyleneimine-treated sugarcane bagasse

Mitter, E. K.; Corso, C. R.
Fonte: Universidade Estadual Paulista Publicador: Universidade Estadual Paulista
Tipo: Artigo de Revista Científica
ENG
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Chemical reagents used by the textile industry are very diverse in their composition, ranging from inorganic compounds to polymeric compounds. Strong color is the most notable characteristic of textile effluents, and a large number of processes have been employed for color removal. In recent years, attention has been directed toward various natural solid materials that are able to remove pollutants from contaminated water at low cost, such as sugarcane bagasse. Cell immobilization has emerged as an alternative that offers many advantages in the biodegradation process, including the reuse of immobilized cells and high mechanical strength, which enables metabolic processes to occur under adverse conditions of pH, sterility, and agitation. Support treatment also increases the number of charges on the surface, thereby facilitating cell immobilization processes through adsorption and ionic bonds. Polyethyleneimine (PEI) is a polycationic compound known to have a positive effect on enzyme activity and stability. The aim of the present study was to investigate a low-cost alternative for the biodegradation and bioremediation of textile dyes, analyzing Saccharomyces cerevisiae immobilization in activated bagasse for the promotion of Acid Black 48 dye biodegradation in an aqueous solution. A 1 % concentration of a S. cerevisiae suspension was evaluated to determine cell immobilization rates. Once immobilization was established...

Growth mechanism and photocatalytic properties of SrWO4 microcrystals synthesized by injection of ions into a hot aqueous solution

Cavalcante, L. S.; Sczancoski, J. C.; Batista, N. C.; Longo, Elson; Varela, José Arana; Orlandi, M. O.
Fonte: Universidade Estadual Paulista Publicador: Universidade Estadual Paulista
Tipo: Artigo de Revista Científica Formato: 344-353
ENG
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This paper reports our initial research to obtain SrWO4 microcrystals by the injection of ions into a hot aqueous solution and their photocatalytic (PC) properties. These microcrystals were structurally characterized by X-ray diffraction (XRD), Rietveld refinements and Fourier transform (FT)-Raman spectroscopy. The shape and average size of these SrWO 4 microcrystals were observed by field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). In addition, we have investigated the PC activity of microcrystals for the degradation of rhodamine B (RhB) and rhodamine 6G (Rh6G) dyes. XRD patterns, Rietveld refinement data and FT-Raman spectroscopy confirmed that SrWO4 microcrystals have a scheelite-type tetragonal structure without deleterious phases. FT-Raman spectra exhibited 12 Raman-active modes in a range from 50 to 1000 cm-1. FE-SEM and TEM images suggested that the SrWO4 microcrystals (rice-like - 95%; star-, flower-, and urchin-like - 5%) were formed by means of primary/secondary nucleation events and self-assembly processes. Based on these FE-SEM/TEM images, a crystal growth mechanism was proposed and discussed in details in this work. Finally, a good PC activity was first discovered of the SrWO4 microcrystals for the degradation of RhB after 80 min and Rh6G after 50 min dyes under ultraviolet-light...

Determinação de parametros termodinamicos da interação entre o herbicida glifosato e os ions Ca2+, Cu2+, Zn2+ e Al3+ em solução aquosa; Determination of thermodynamic parameters of interaction between the herbivide glyphosate and ions Ca2+, Cu2+, Zn2+ and Al3+ in aqueous solution

Flavio Adriano Bastos
Fonte: Biblioteca Digital da Unicamp Publicador: Biblioteca Digital da Unicamp
Tipo: Dissertação de Mestrado Formato: application/pdf
Publicado em 26/02/2010 PT
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Neste trabalho foram determinados os seguintes parâmetros termodinâmicos resultantes da interação entre o herbicida Glifosato e os íons calcio, cobre, zinco e alumínio em solução aquosa: DrH, DrS e DrG de formação do complexo Glifosato-metal. Para tanto, usou-se a potenciometria e a calorimetria por titulação isotérmica (ITC). O tratamento dos dados foi realizado pelo Método das tangentes, onde parte-se do princípio que Keq apresenta valores altos, o que faz com que cada adição de um dado reagente em outro (em excesso) transforme-se totalmente em produto. O valor de DrH é determinado pelo do cálculo da tangente da curva, com volume tendendo a zero. Estudos preliminares foram realizados a fim de se descobrir a melhor condição experimental para a determinação dos parâmetros em questão. Os resultados encontrados de variação de entalpia (kJ mol), energia livre de Gibbs (kJ mol) e variação de entropia (J mol K), são, respectivamente, + 0,07±0,01, - 18,8±0,5, + 63,0±2, para o Ca; + 6,24±0,06, - 67,9±0,5, + 249, para o Cu; + 0,25±0,01, - 49,7±0,5, + 167±2, para o íon Zn e + 6,84±0,45, - 78,2±0,5, + 285±2, para o Al; In this work were determinate the following resultant thermodynamics parameters to the interaction between the herbicide Glyphosate and the ions Ca...

Influence of pH on the Thermal Inactivation Kinetics of Horseradish Peroxidase in Aqueous Solution

Lemos, Maria Adı́lia; Oliveira, Jorge C.; Saraiva, Jorge A.
Fonte: Elsevier Publicador: Elsevier
Tipo: Artigo de Revista Científica
ENG
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The thermal inactivation of horseradish peroxidase in aqueous solution was studied in the pH range of 3.0 to 12.5, at temperatures ranging from 40 °C to 95 °C. The data were well fitted by a double exponential model. The enzyme showed highest stability around neutral pH and the stability was particularly decreased above pH 11. The z value of the less labile fraction at pH 11.5 to 12.5 (temperatures from 40 to 65 °C) and of the more labile fraction at pH 3–4 (temperatures from 65 to 85 °C) were close to 10 °C, making these systems suitable as time-temperature integrators for assessing microbial lethality in thermal processing of low-acid foods, particularly if they can be stabilized further without affecting their low z-value.

Investigating the spontaneous formation of SDS micelle in aqueous solution using a coarse-grained force field

Pires,José Maria; Moura,André F. de; Freitas,Luiz C. G.
Fonte: Sociedade Brasileira de Química Publicador: Sociedade Brasileira de Química
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/01/2012 EN
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A 1µs Molecular Dynamic simulation was performed with a realistic model system of Sodium Dodecyl Sulfate (SDS) micelles in aqueous solution, comprising of 360 DS-, 360 Na+ and 90000 water particles. After 300 ns three different micellar shapes and sizes 41, 68 and 95 monomers, were observed. The process led to stabilization in the total number of SDS clusters and an increase in the micellar radius to 2.23 nm, in agreement with experimental results. An important conclusion, is be aware that simulations employed in one aggregate, should be considered as a constraint. Size and shape distribution must be analyzed.

Sorption kinetics and intrapaticulate diffusivity of As(III) bioremediation from aqueous solution, using modified and unmodified coconut fiber

Igwe,J. C.; Abia,A. A.
Fonte: Fundação Editora da Universidade Estadual Paulista Júlio de Mesquita Filho - UNESP Publicador: Fundação Editora da Universidade Estadual Paulista Júlio de Mesquita Filho - UNESP
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/01/2006 EN
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The pollution and toxicity problems posed by arsenic in the environment have long been established. Hence, the removal and recovery remedies have been sought, bearing in mind the efficiency, cost effectiveness and environmental friendliness of the methods employed. The sorption kinetics and intraparticulate diffusivity of As (III) bioremediation from aqueous solution using modified and unmodified coconut fiber was investigated. The amount adsorbed increased as time increased, reaching equilibrium at about 60 minutes. The kinetic studies showed that the sorption rates could be described by both pseudo-first order and pseudo-second order process with the later showing a better fit with a value of rate constant of 1.16 x 10-4 min-1 for the three adsorbent types. The mechanism of sorption was found to be particle diffusion controlled. The diffusion and boundary layer effects were also investigation. Therefore, the results show that coconut fiber, both modified and unmodified is an efficient sorbent for the removal of As (III) from industrial effluents with particle diffusion as the predominant mechanism.

Adsorption isotherm studies of Cd (II), Pb (II) and Zn (II) ions bioremediation from aqueous solution using unmodified and EDTA-modified maize cob

Igwe,J.C; Abia,A.A.
Fonte: Fundação Editora da Universidade Estadual Paulista Júlio de Mesquita Filho - UNESP Publicador: Fundação Editora da Universidade Estadual Paulista Júlio de Mesquita Filho - UNESP
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/01/2007 EN
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The need to clean-up heavy metal contaminated environment can not be over emphasized. This paper describes the adsorption isotherm studies of Cd (II), Pb (II) and Zn (II) ions from aqueous solution using unmodified and EDTA-modified maize cob. Maize cob was found to be an excellent adsorbent for the removal of these metal ions. The amount of metal ions adsorbed increased as the initial concentration increased. Also, EDTA - modification enhanced the adsorption capacity of maize cob probably due to the chelating ability of EDTA. Among the three adsorption isotherm tested, Dubinin-Radushkevich gave the best fit with R² value ranging from 0.9539 to 0.9973 and an average value of 0.9819. This is followed by Freundlich isotherm (Ave. 0.9783) and then the Langmuir isotherm (Ave. 0.7637). The sorption process was found to be a physiosorption process as seen from the apparent energy of adsorption which ranged from 2.05KJmol to 4.56KJmol. Therefore, this study demonstrates that maize cob which is an environmental pollutant could be used to adsorb heavy metals and achieve cleanliness thereby abating environmental nuisance caused by the maize cob.

A fluorescence probe study of gemini surfactants in aqueous solution: a comparison between n-2-n and n-6-n series of the alkanediyl-a,w-bis (dimethylalkylammonium bromides)

Junior,P. B.S.; Tiera,V. A.O.; Tiera,M. J.
Fonte: Fundação Editora da Universidade Estadual Paulista Júlio de Mesquita Filho - UNESP Publicador: Fundação Editora da Universidade Estadual Paulista Júlio de Mesquita Filho - UNESP
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/01/2007 EN
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Two series of alkanediyl-a,w-bis (dimethylalkylammonium bromide (n-2-n and n-6-n; n=8, 10,12, and 16) have been synthesized and their micelles properties studied in aqueous solution using pyrene, pyrenecarboxaldehyde (PCA) and 1,8 anilinonaphtalene sulfonic acid sodium salt (ANS) as fluorescent probes. The micelles from these surfactants have been characterized on the basis of the information provided by micelle-solubilized fluorescent probes. The obtained results indicated that the surfactant concentration at which a marked decrease in l max parameter of pyrenecarboxaldehyde (PCA) occurs corresponds to the CMC determined by conductimetric measurements. Changes in the emission spectra of ANS and PCA observed in the submicellar range for both surfactants series (n-2-n and n-6-n) were interpreted as formation of pre-aggregates. It was found that the dimeric surfactants with long spacer (s= 6) form more hydrated aggregates when compared with those formed by the n-2-n and CnTAB surfactants series. This was attributed to a more difficult packing of n-6-n surfactant molecules to form micelles.

Electrochemical behavior of a nitrobenzenesulfonyl derivative of aniline in aqueous solution

Zanoni,M.V. Boldrin; Rosa,I.L.V.; Pesquero,C.R; Stradiotto,N.R.
Fonte: Sociedade Brasileira de Química Publicador: Sociedade Brasileira de Química
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/06/1997 EN
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The electrochemical behavior of aniline protected by a nitrobenzene sulphonyl group in aqueous solution at a mercury electrode is reported. At pH < 10 the compound was reduced in a single well-defined step. Reduction of the nitro group involving a preceding protonation step was postulated. Two reduction steps are present at higher pH (pH > 11). Controlled potential electrolysis confirms that the reduction of the nitro group in a four-electron step to N-phenyl-4-hydroxylamine sulphonamide is always the preponderant process.

Ab initio investigation of the kinetics and mechanism of the neutral hydrolysis of formamide in aqueous solution

Almerindo,Gizelle I.; Pliego Jr.,Josefredo R.
Fonte: Sociedade Brasileira de Química Publicador: Sociedade Brasileira de Química
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/01/2007 EN
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The neutral hydrolysis of formamide in aqueous solution involving up to four explicit solvent molecules was theoretically investigated using high level ab initio methods and including the bulk solvent effect through the Polarizable Continuum Model (PCM). We have analyzed cyclic transition states structures involving bifunctional catalysis and a general base catalysis structure. Both a stepwise mechanism with tetrahedral intermediate formation and a concerted mechanism were investigated. Our calculations at CCSD(T)/6-311+G(2df,2p)//MP2/6-31G(d) level predict an observable activation free energy barrier of 48.7 kcal mol-1, corresponding to a stepwise water catalyzed mechanism with two water molecules into the transition state. Liquid phase geometry optimization was also performed, but the effect on the activation free energy is modest. Tests with density functional theory were carried out. The B3LYP/6-31G(d) calculation underestimates the barrier by 13 kcal mol-1, whereas the B3LYP/6-311+G(2df,2p) method predicts an accurate barrier. The present study raises important questions about the reliability of the experimental activation free energy of 31.0 kcal mol-1 and suggests that the neutral hydrolysis of formamide does not take place at all.

Molecular Dynamics simulation of the sodium octanoate micelle in aqueous solution: comparison of force field parameters and molecular topology effects on the micellar structure

Moura,André Farias de; Freitas,Luiz Carlos Gomide
Fonte: Sociedade Brasileira de Física Publicador: Sociedade Brasileira de Física
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/03/2004 EN
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We have performed a series of 10 ns Molecular Dynamics simulations of the sodium octanoate micelle in aqueous solution in the constant NpT ensemble, at p = 1 bar and T = 300 K. Two molecular topologies were studied, one with all internal degrees of freedom and the other constraining bond stretching and angle bending degrees of freedom. Two Lennard-Jones parameters for sodium ions, namely the OPLS and ° Aqvist parameters, were used. The results show an artificial enhancement of stable sodium bridges between octanoate anions when the OPLS parameters for sodium are used. The ° Aqvist parameters give a micellar structure in good agreement with experimental and thermodynamical evidences. It is also observed that the aggregation of monomers is strongly dependent on the molecular topology. When the ° Aqvist parameters were employed, the model system without constraining geometry had one dissociated monomer after 10 ns, while the model system with bond length and bond angle constraining had five dissociated monomers after a 10 ns trajectory.

Potential drug delivery system: study of the association of a model nitroimidazole drug with aggregates of amphiphilic polymers on aqueous solution

Salamanca Mejia,Constain Hugo; Urbano,Bruno Felipe; Olea Carrasco,Andres Floreal
Fonte: Universidade de São Paulo, Faculdade de Ciências Farmacêuticas Publicador: Universidade de São Paulo, Faculdade de Ciências Farmacêuticas
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/12/2011 EN
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This study evaluated the association of N-hexyl-2-methyl-4-nitroimidazol, a model drug, to aggregates formed by anionic polyelectrolytes on aqueous solution. The alternating copolymers of maleic anhydride and N-vinyl-2-pyrrolidone were synthesized and then modified by reaction of the anhydride groups with aliphatic amines and alcohols of varying length of the alkyl chain. The partition of the model drug between water and the hydrophobic microdomains provided by the copolymers was studied using the pseudo-phase model to determinate the distribution coefficient K S, and the standard free energy of transfer ∆µ°t. The results indicate that all copolymers assessed are potential pharmaceutical reservoirs of the model drug. Nevertheless, the solubility of N-hexyl-2-methyl-4-nitroimidazol on the polymeric solutions is independent from the length of the alkyl chain of the copolymer.

Development and validation of a microbiological assay for determination of chlorhexidine digluconate in aqueous solution

Fiorentino,Flávia Angélica Másquio; Corrêa,Marcos Antonio; Salgado,Hérida Regina Nunes
Fonte: Universidade de São Paulo, Faculdade de Ciências Farmacêuticas Publicador: Universidade de São Paulo, Faculdade de Ciências Farmacêuticas
Tipo: Artigo de Revista Científica Formato: text/html
Publicado em 01/06/2013 EN
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Chlorhexidine (CHX) is a broad-spectrum antiseptic that is used in many topical pharmaceutical formulations. Because there is no official microbiological assay reported in the literature that is used to quantify CHX, this paper reports the development and validation of a simple, sensitive, accurate and reproducible agar diffusion method for the dosage of chlorhexidine digluconate (CHX-D) in an aqueous solution. The assay is based on the inhibitory effect of CHX-D upon the strain of Staphylococcus aureus ATCC 25923, which is used as the test microorganism. The design 3x3 parallel-line model was used. The results were treated statistically by analysis of variance (ANOVA), and they were excellent in terms of linearity (r = 0.9999), presenting a significant regression between the zone diameter of growth inhibition and the logarithm of the concentration within the range of 0.5 to 4.5%. The results obtained were precise, having relative standard deviations (RSD) for intra-day and inter-day precision of 2.03% and 2.94%, respectively. The accuracy was 99.03%. The method proved to be very useful and appropriate for the microbiological dosage of CHX-D in pharmaceutical formulations; it might also be used for routine drug analysis during quality control in pharmaceutical industries.

Toward an estimation of binding constants in aqueous solution: studies of associations of vancomycin group antibiotics.

Williams, D H; Searle, M S; Mackay, J P; Gerhard, U; Maplestone, R A
Fonte: PubMed Publicador: PubMed
Tipo: Artigo de Revista Científica
Publicado em 15/02/1993 EN
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An approach toward the estimation of binding constants for organic molecules in aqueous solution is presented, based upon a partitioning of the free energy of binding. Consideration is given to polar and hydrophobic contributions and to the entropic cost of rotor restrictions and bimolecular associations. Several parameters (derived from an analysis of entropy changes upon the melting of crystals and from the binding of cell wall peptide analogues to the antibiotic ristocetin A) which may be useful guides to a crude understanding of binding phenomena are presented: (i) amide-amide hydrogen bond strengths of -(1 to 7) +/- 2 kJ.mol-1, (ii) a hydrophobic effect of -0.2 +/- 0.05 kJ.mol-1.A-2 of hydrocarbon removed from exposure to water in the binding process, and (iii) free energy costs for rotor restrictions of 3.5-5.0 kJ.mol-1. The validity of the parameters for hydrogen bond strengths is dependent on the validity of the other two parameters. The phenomenon of entropy/enthalpy compensation is considered, with the conclusion that enthalpic barriers to dissociations will result in larger losses in translational and rotational entropy in the association step. The dimerization of some vancomycin group antibiotics is strongly exothermic (-36 to -51 kJ.mol-1) and is promoted by a factor of 50-100 by a disaccharide attached to ring 4 (in vancomycin and eremomycin) and by a factor of ca. 1000 by an amino-sugar attached to the benzylic position of ring 6 in eremomycin. The dimerization process (which...

Contribution of Dithiol Ligands to In Vitro and In Vivo Trypanocidal Activities of Dithiaarsanes and Investigation of Ligand Exchange in an Aqueous Solution

Loiseau, Philippe M.; Lubert, Patrick; Wolf, Jean-Gerard
Fonte: American Society for Microbiology Publicador: American Society for Microbiology
Tipo: Artigo de Revista Científica
Publicado em /11/2000 EN
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Twelve new dithiaarsanes were evaluated for their in vitro and in vivo trypanocidal properties in regard to their three parent molecules, 4-amino-phenylarsenoxide, melarsenoxide, and 4-dansylamino-phenylarsenoxide. The most potent dithiaarsane, compound 2b, had a minimum effective concentration of 1.5 nM after 48 h of incubation and at a dose of 0.39 μmol/kg of body weight (0.2 mg/kg) administered subcutaneously cured 100% of mice acutely infected with Trypanosoma brucei brucei CMP. With this model, the chemotherapeutic index of compound 2b was 512, compared to 256 for melarsamine dihydrochloride (Cymelarsan) under the same conditions. With a chronic infection produced by T. brucei brucei GVR, compound 2b cured 100% of mice after treatment at a dose of 25 μmol/kg (12.5 mg/kg) for 4 consecutive days, whereas melarsamine dihydrochloride and potassium melarsonyl (Trimelarsan) cured less than 50% mice at this dose. For both acute and late-stage infections, dithiaarsanes having a melaminophenyl ring exhibited the most-potent trypanocidal activity. Compound 2b is thus one of the most active organoarsenicals described in a mouse trypanosomiasis model. Considering that the main intracellular targets of organoarsenicals are thiol groups, we studied the possibility of ligand exchange between Cymelarsan and several dithiols. In aqueous solution...

Proton Nuclear Magnetic Resonance Investigations and Ring Current Calculations of Guanine N-1 and Thymine N-3 Hydrogen-Bonded Protons in Double-Helical Deoxyribonucleotides in Aqueous Solution

Patel, Dinshaw J.; Tonelli, Alan E.
Fonte: PubMed Publicador: PubMed
Tipo: Artigo de Revista Científica
Publicado em /05/1974 EN
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Methods are outlined for assigning the guanine-N1H and thymine-N3H protons to particular base pairs in the proton nuclear magnetic resonance spectra of double-stranded oligodeoxyribonucleotides of known sequence in aqueous solution. Ring current calculations have been used to evaluate the upfield shifts of the guanine-N1H and thymine-N3H protons from the pyrimidine and purine rings of nearest-neighbor base pairs in DNA B-type double-helical structures. Chemical shifts of 13.6 ± 0.1 ppm and 14.6 ± 0.2 ppm are assigned to the guanine-N1H proton of an isolated G·C base pair and the thymine-N3H proton of an isolated A·T base pair, respectively.

Nuclear Magnetic Resonance Spectrum of Deamino-Lysine-Vasopressin in Aqueous Solution and Its Structural Implications

Dreele, P. H. Von; Scheraga, H. A.; Dyckes, D. F.; Ferger, M. F.; Vigneaud, V. Du
Fonte: PubMed Publicador: PubMed
Tipo: Artigo de Revista Científica
Publicado em /11/1972 EN
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The peaks in the proton nuclear magnetic resonance spectrum of deamino-lysine-vasopressin in aqueous solution at pH values between 3 and 5 were assigned to particular amino-acid residues by use of the results of transfer-of-saturation studies, NH-CαH and CαH-CβH decoupling experiments, and other data. The conformation of deamino-lysine-vasopressin in water differs from that of lysine-vasopressin in the same solvent.