Cloning, expression, purification and preliminary X-ray diffraction studies of a putative Mycobacterium smegmatis thiolase

Thiolases are important in fatty-acid degradation and biosynthetic pathways. Analysis of the genomic sequence of Mycobacterium smegmatis suggests the presence of several putative thiolase genes. One of these genes appears to code for an SCP-x protein. Human SCP-x consists of an N-terminal domain (referred to as SCP2 thiolase) and a C-terminal domain (referred as sterol carrier protein 2). Here, the cloning, expression, purification and crystallization of this putative SCP-x protein from M. smegmatis are reported. The crystals diffracted X-rays to 2.5 angstrom resolution and belonged to the triclinic space group P1. Calculation of rotation functions using X-ray diffraction data suggests that the protein is likely to possess a hexameric oligomerization with 32 symmetry which has not been observed in the other six known classes of this enzyme.

Dynamic contact angle beating from drops impacting onto solid surfaces exhibiting anisotropic wetting

This paper reports an experimental investigation of low Weber number water drops impacting onto solid surfaces exhibiting anisotropic wetting. The wetting anisotropy is created by patterning the solid surfaces with unidirectional parallel grooves. Temporal measurements of impacting drop parameters such as drop base contact diameter, apparent contact angle of drop, and drop height at the center are obtained from high-speed video recordings of drop impacts. The study shows that the impact of low Weber number water drops on the grooved surface exhibits beating phenomenon in the temporal variations of the dynamic contact angle anisotropy and drop height at the center of the impacting drop. It is observed that the beating phenomenon of impacting drop parameters is caused by the frequency difference between the dynamic contact angle oscillations of impacting drop liquid oriented perpendicular and parallel to the direction of grooves on the grooved surface. The primary trigger for the phenomenon is the existence of non-axisymmetric drop flow on the grooved surface featuring pinned and free motions of drop liquid in the directions perpendicular and parallel to the grooves, respectively. The beat frequency is almost independent of the impact drop Weber number. Further experimental measurements with solid surfaces of different groove textures show that the grooved surface with larger wetting anisotropy may be expected to show a dominant beating phenomenon. The phenomenon is gradually damped out with time and is fully unrecognizable at higher drop impact Weber numbers. (C) 2011 Elsevier B.V. All rights reserved.

Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods

The present study investigates the structural and pharmaceutical properties of different multicomponent crystalline forms of lamotrigine (LTG) with some pharmaceutically acceptable coformers viz. nicotinamide (1), acetamide (2), acetic acid (3), 4-hydroxy-benzoic acid (4) and saccharin (5). The structurally homogeneous phases were characterized in the solid state by DSC/TGA, FT-IR and XRD (powder and single crystal structure analysis) as well as in the solution phase. Forms 1 and 2 were found to be cocrystal hydrate and cocrystal, respectively, while in forms 3, 4 and 5, proton transfer was observed from coformer to drug. The enthalpy of formation of multicomponent crystals from their components was determined from the enthalpy of solution of the cocrystals and the components separately. Higher exothermic values of the enthalpy of formation for molecular complexes 3, 4 and 5 suggest these to be more stable than 1 and 2. The solubility was measured in water as well as in phosphate buffers of varying pH. The salt solvate 3 exhibited the highest solubility of the drug in water as well as in buffers over the pH range 7-3 while the cocrystal hydrate 1 showed the maximum solubility in a buffer of pH 2. A significant lowering of the dosage profile of LTG was observed for 1, 3 and 5 in the animal activity studies on mice.

A comparison of the structure of liquid alloys derived from thermodynamic and diffraction studies

A significant amount of research on the thermodynamic properties of molten alloys is undertaken for obtaining insights into their structure . The partial and integral molar enthalpies, entropies and volumes of mixing provide some general information on the nature and strength of atomic bonds and the distribution of atoms. However, until recently it has been difficult to derive specific quantitative information because the excess entropy of mixing contains configurational , vibrational , electronic , and sometimes magnetic contributions which cannot be easily separated.

Crystallization and preliminary X-ray diffraction studies of sortase A from Streptococcus pneumoniae

Sortases are cell-membrane-anchored cysteine transpeptidases that are essential for the assembly and anchoring of cell-surface adhesins in Gram-positive bacteria. Thus, they play critical roles in virulence, infection and colonization by pathogens. Sortases have been classified into four types based on their primary sequence and the target-protein motifs that they recognize. All Gram-positive bacteria express a class A housekeeping sortase (SrtA). Sortase A from Streptococcus pneumoniae (NP_358691) has been crystallized in two crystal forms. Diamond-shaped crystals of Delta N(59)SrtA diffracted to 4.0 angstrom resolution and belonged to a tetragonal system with unit-cell parameters a = b = 122.8, c = 86.5 angstrom, alpha = beta = gamma = 90 degrees, while rod-shaped crystals of Delta N(81)SrtA diffracted to 2.91 angstrom resolution and belonged to the monoclinic space group P2(1) with unit-cell parameters a = 66.8, b = 103.47, c = 74.79 angstrom, alpha = gamma = 90, beta = 115.65 degrees. The Matthews coefficient (V(M) = 2.77 angstrom(3) Da(-1)) with similar to 56% solvent content suggested the presence of four molecules in the asymmetric unit for Delta N(81)SrtA. Also, a multi-copy search using a monomer as a probe in the molecular-replacement method resulted in the successful location of four sortase molecules in the asymmetric unit, with statistics R = 41.61, R(free) = 46.44, correlation coefficient (CC) = 64.31, CC(free) = 57.67.

Anisotropic electrical transport property in La4BaCu5O13+δ and La4BaCu4NiO13+δ epitaxial thin films

Epitaxial films of La4BaCu5O13+δ and La4BaCu4NiO13+δ oxides are grown with a-b plane parallel to (100) of LaAlO3 and SrTiO3 by pulsed-laser deposition. The conductivity measurements performed along the c direction using LaNiO3 as the electrode show metallic behavior whereas they show semiconducting behavior in the a-b plane. Anisotropic transport property of these thin films is explained on the basis of nearly 180° connected Cu–O–Cu chains with an average Cu–O distance of 1.94 Å along the c direction and nearly 180° and 90° connected Cu–O–Cu chains in the a-b plane with short and long Cu–O distances ranging from 1.863 to 2.303 Å. YBa2Cu3O7−x has been grown along (00l) on La4BaCu5O13+δ and shows a Tc of 88 K.

Optical diffraction of second-harmonic signals in the LiBO2-Nb2O5 glasses induced by self-organized LiNbO3 crystallites

The nanocrystallites ( ≈ 3 nm) of LiNbO3, evolved in the (100−x)LiBO2-xNb2O5 (5x20, in molar ratio) glass system exhibited intense second-harmonic signals in transmission mode when exposed to infrared (IR) light at λ = 1064 nm. The second-harmonic waves were found to undergo optical diffraction which was attributed to the presence of self-organized submicrometer-sized LiNbO3 crystallites that were grown within the glass matrix along the parallel damage fringes created by the IR laser radiation. Micro-Raman studies carried out on the laser-irradiated samples confirmed the self-organized crystallites to be LiNbO3.

Structural, thermal, and electrical properties of CrSi2

Stoichiometric CrSi2 was prepared by arc melting and compacted by uniaxial hot pressing for property measurements. The crystal structure of CrSi2 was investigated using the powder x-ray diffraction method. From the Rietveld refinement, the lattice parameters were found to be a = 4.427 57 (7) and c = 6.368 04 (11) Å, respectively. The thermal expansion measurement revealed an anisotropic expansion in the temperature range from room temperature 800 K with αa = 14.58×10−6/K, αc = 7.51×10−6/K, and αV = 12.05×10−6/K. The volumetric thermal expansion coefficient shows an anomalous decrease in the temperature range of 450–600 K. The measured electrical resistivity ρ and thermoelectric power S have similar trends with a maxima around 550 K. Thermal conductivity measurements show a monotonic decrease with increasing temperature from a room temperature value of 10 W m−1 K−1. The ZT values increase with temperature and have a maximum value of 0.18 in the temperature range studied. An analysis of the electronic band structure is provided.

Anisotropic electrical transport properties of poly(methyl methacrylate) infiltrated aligned carbon nanotube mats

We report the electrical anisotropic transport properties of poly(methyl methacrylate) infiltrated aligned carbon nanotube mats. The anisotropy in the resistivity increases with decreasing temperature and the conduction mechanism in the parallel and perpendicular direction is different. Magnetoresistance (MR) studies also suggest anisotropic behavior of the infiltrated mats. Though MR is negative, an upturn is observed when the magnetic field is increased. This is due to the interplay of electron weak localization and electron-electron interactions mechanisms. Overall, infiltrated carbon nanotube mat is a good candidate for anisotropically conductive polymer composite and a simple fabrication method has been reported. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3675873]

Contact instabilities of anisotropic and inhomogeneous soft elastic films

Anisotropy plays important roles in various biological phenomena such as adhesion of geckos and grasshoppers enabled by the attachment pods having hierarchical structures like thin longitudinal setae connected with threads mimicked by anisotropic films. We study the contact instability of a transversely isotropic thin elastic film when it comes in contact proximity of another surface. In the present study we investigate the contact stability of a thin incompressible transversely isotropic film by performing linear stability analysis. Based on the linear stability analysis, we show that an approaching contactor renders the film unstable. The critical wavelength of the instability is a function of the total film thickness and the ratio of the Young's modulus in the longitudinal direction and the shear modulus in the plane containing the longitudinal axis. We also analyze the stability of a thin gradient film that is elastically inhomogeneous across its thickness. Compared to a homogeneous elastic film, it becomes unstable with a longer wavelength when the film becomes softer in going from the surface to the substrate.

Study of Low Temperature Magnetic Properties of a Single Chain Magnet with Alternate Isotropic and Non-collinear Anisotropic Units

Here we study thermodynamic properties of an important class of single-chain magnets (SCMs), where alternate units are isotropic and anisotropic with anisotropy axes being non-collinear. This class of SCMs shows slow relaxation at low temperatures which results from the interplay of two different relaxation mechanisms, namely dynamical and thermal. Here anisotropy is assumed to be large and negative, as a result, anisotropic units behave like canted spins at low temperatures; but even then simple Ising-type model does not capture the essential physics of the system due to quantum mechanical nature of the isotropic units. We here show how statistical behavior of this class of SCMs can be studied using a transfer matrix (TM) method. We also, for the first time, discuss in detail how weak inter-chain interactions can be treated by a TM method. The finite size effect is also discussed which becomes important for low temperature dynamics. At the end of this paper, we apply this technique to study a real helical chain magnet.