80 resultados para 183-1138
Resumo:
Background: Malaria caused by the parasite Plasmodium falciparum is a major public health concern. The parasite lacks a functional tricarboxylic acid cycle, making glycolysis its sole energy source. Although parasite enzymes have been considered as potential antimalarial drug targets, little is known about their structural biology. Here we report the crystal structure of triosephosphate isomerase (TIM) from P. falciparum at 2.2 Angstrom resolution. Results: The crystal structure of P. falciparum TIM (PfTIM), expressed in Escherichia coli, was determined by the molecular replacement method using the structure of trypanosomal TIM as the starting model. Comparison of the PfTIM structure with other TIM structures, particularly human TIM, revealed several differences, In most TIMs the residue at position 183 is a glutamate but in PtTIM it is a leucine, This leucine residue is completely exposed and together with the surrounding positively charged patch, may be responsible for binding TIM to the erythrocyte membrane. Another interesting feature is the occurrence of a cysteine residue at the dimer interface of PfTIM (Cys13), in contrast to human TIM where this residue is a methionine. Finally, residue 96 of human TIM (Ser96), which occurs near the active site, has been replaced by phenylalanine in PfTIM.
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Polyaniline salts have been synthesized by chemical oxidative polymerization of aniline in the presence of phenoxy acetic acid and its two derivatives using emulsion method at room temperature and characterized by different techniques such as infrared, H-1 and C-13 NMR, UV-visible spectroscopy, SEM, wide angle X-ray diffractograms and conductivity measurements. These polyaniline salts have the desirable property of high solubility for processibility in solvents such as DNIF, DMSO and a mixture of CHCl3 and acetone and they exhibit fairly good conductivity of similar to 3.0 x 10(-3) S cm(-1). The variations in solubility, conductivity and morphology with the protonating strength of the dopants are examined.
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In this article, we present a comparative study of the Raman spectra of alkali halides in relation to the lattice dynamics ofBorn andRaman. It is shown that the experimentally observed limit of the second-order spectra in almost all the cases can be explained well by the Lyddane-Sachs-Teller relation. It is also seen, while, an explanation of the second-order Raman spectrum of a crystal of diamond or zinc blende structure requires the frequencies from the critical points,W, Gamma, X andL inBorn's analysis, the frequencies fromGamma, X andL alone are sufficient and necessary for an interpretation of the same onRaman's model. Some similarities in the determination of the long wave properties of crystals like elastic constants and limiting frequencies of the lattice vibrations in the symmetry directions in both the models are pointed out.
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Raman spectra of single crystals of adipic and sebacic acids have been photographed for the first time using λ 2537 excitation. The spectra have been divided into four regions: (a) internal frequencies; (b) summations and overtones; (c) external vibrations; and (d) low-frequency hydrogen bond oscillations. Tentative correlations have been given for all the internal frequencies and summations and overtones. A series of diffuse weak bands observed in the spectra of both these acids in the not, vert, similar2400–2800 cm−1 have been explained as a superposition of O---H frequencies lowered due to hydrogen bond formation over the summations and overtones of fundamentals mainly in the not, vert, similar1000–1500 cm−1 region. Rotatory type of external oscillations of the two formula units of these molecules in their unit cells have been identified at 76, 99, 118 and 165 cm−1 in adipic acid and 66, 95, 117 and 177 cm−1 in the spectrum of sebacic acid. A brief discussion of the low frequency hydrogen bond vibrations in these acids has been made. Making use of the Lippincott—Schroeder potential and assuming a highly anharmonic potential curve for the hydrogen bond, the vibrational frequencies of the bond have been theoretically evaluated. There is very good agreement between these and the experimental values. The results for adipic acid in cm−1 are: 304 (0 → 1), 270 (1 → 2), 241 (2 → 3), 222 (3 → 4) 201 (4 → 5), 183 (5 → 6). In the case of sebacic acid some of the intermediate and higher transitions are absent in the spectrum recorded by the author. From the above data for adipic acid the dissociation energy of the hydrogen bond was evaluated as 5·9 kcal/mole in fair agreement with the values derived from conventional methods.
Resumo:
The error introduced in depolarisation measurements due to the convergence of the incident beam has been investigated theoretically as well as experimentally for the case of colloid scattering, where the particles are not small compared to the wavelength of light. Assuming the scattering particles to be anisotropic rods, it is shown that, when the incident unpolarised light is condensed by means of a lens with a circular aperture, the observed depolarisation ratio ϱ u is given by ϱ u = ϱ u0 + 5/3 θ2 where ϱ u0 is the true depolarisation for incident parallel light, and θ the semi-angle of convergence. Appropriate formulae are derived when the incident beam is polarised vertically and horizontally. Experiments performed on six typical colloids support the theoretical conclusions. Other immediate consequences of the theory are also discussed.
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The study of proteins involved in de novo biosynthesis of purine nucleotides is central in the development of antibiotics and anticancer drugs. In view of this, a protein from the hyperthermophile Pyrococcus horikoshii OT3 was isolated, purified and crystallized using the microbatch method. Its primary structure was found to be similar to that of SAICAR synthetase, which catalyses the seventh step of de novo purine biosynthesis. A diffraction-quality crystal was obtained using Hampton Research Crystal Screen II condition No. 34, consisting of 0.05 M cadmium sulfate hydrate, 0.1 M HEPES buffer pH 7.5 and 1.0 M sodium acetate trihydrate, with 40%(v/v) 1,4-butanediol as an additive. The crystal belonged to space group P3(1), with unit-cell parameters a = b = 95.62, c = 149.13 angstrom. Assuming the presence of a hexamer in the asymmetric unit resulted in a Matthews coefficient (V-M) of 2.3 angstrom(3) Da(-1), corresponding to a solvent content of about 46%. A detailed study of this protein will yield insights into structural stability at high temperatures and should be highly relevant to the development of antibiotics and anticancer drugs targeting the biosynthesis of purine nucleotides.
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We describe an investigation of the structure and dielectric properties of MM'O-4 and MTiM'O-6 rutile-type oxides for M = Cr, Fe, Ga and M' = Nb. Ta and Sb. All the oxides adopt a disordered rutile structure (P4(2)/mnm) at ambient temperature. A partial ordered trirutile-type structure is confirmed for FeTaO4 from the low temperature (17 K) neutron diffraction studies While both the MM'O-4 oxides (CrTaO4 and FeTaO4) investigated show a normal dielectric property MTiM'O-6 oxides for M = Fe, Cr and M' = Nb/Ta/Sb display a distinct relaxor/relaxor-like response. Significantly the corresponding gallium analogs, GaTiNbO6 and GaTiTaO6, do not show a relaxor response at T<500K (C) 2010 Elsevier Inc All rights reserved
Resumo:
Drop formation from single nozzles under pulsed flow conditions in non-Newtonian fluids following the power law model has been studied. An existing model has been modified to explain the experimental data. The flow conditions employed correspond to the mixer—settler type of operation in pulsed sieve-plate extraction columns. The modified model predicts the drop sizes satisfactorily. It has been found that consideration of non-Newtonian behaviour is important at low pulse intensities and its significance decreases with increasing intensity of pulsation. Further, the proposed model for single orifices has been tested to predict the sizes of drops formed from a sieve-plate distributor having four holes, and has been found to predict the sizes fairly well in the absence of coalescence.
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We study the Segal-Bargmann transform on M(2). The range of this transform is characterized as a weighted Bergman space. In a similar fashion Poisson integrals are investigated. Using a Gutzmer's type formula we characterize the range as a class of functions extending holomorphically to an appropriate domain in the complexification of M(2). We also prove a Paley-Wiener theorem for the inverse Fourier transform.
Resumo:
The objective of the present paper is to select the best compromise irrigation planning strategy for the case study of Jayakwadi irrigation project, Maharashtra, India. Four-phase methodology is employed. In phase 1, separate linear programming (LP) models are formulated for the three objectives, namely. net economic benefits, agricultural production and labour employment. In phase 2, nondominated (compromise) irrigation planning strategies are generated using the constraint method of multiobjective optimisation. In phase 3, Kohonen neural networks (KNN) based classification algorithm is employed to sort nondominated irrigation planning strategies into smaller groups. In phase 4, multicriterion analysis (MCA) technique, namely, Compromise Programming is applied to rank strategies obtained from phase 3. It is concluded that the above integrated methodology is effective for modeling multiobjective irrigation planning problems and the present approach can be extended to situations where number of irrigation planning strategies are even large in number. (c) 2004 Elsevier Ltd. All rights reserved.
Resumo:
Colloids of palladium nanoparticles have been prepared by the solvated metal atom dispersion (SMAD) method. The as-prepared Pd colloid consists of particles with an average diameter of 2.8 +/- 0.1 nm. Digestive ripening of the as-prepared Pd colloid, a process involving refluxing the as-prepared colloid at or near the boiling point of the solvent in the presence of a passivating agent, dodecanethiol resulted in a previously reported Pd-thiolate cluster, Pd(SC12H25)(2)](6) but did not render the expected narrowing down of the particle size distribution. Solventless thermolysis of the Pd-thiolate complex resulted in various Pd systems such as Pd(0), PdS, and Pd@PdO core-shell nanoparticles thus demonstrating its versatility. These I'd nanostructures have been characterized using high-resolution electron microscopy and powder X-ray diffraction methods. (C) 2010 Elsevier Inc. All rights reserved.
Resumo:
A novel microprocessor-based platinum resistance temperature indicator has been developed and described. This indicator provides a linear performance over a wide dynamic temperature range of - 183.0°C to +200°C with an accuracy of better than ±0.05°C. To sasily carry out the linearization of platinum thermometer through software, the modified Callendar-Van Dusen equation is used. Test results are given to support the theory.