Thermal stresses in a finite solid cylinder due to an axisymmetric temperature field at the end surface.

A three-dimensional rigorous solution for determining thermal stresses in a finite solid cylinder due to a steady state axisymmetric temperature field over one of its end surfaces is given. Numerical results for a solid cylinder having a length to diameter ratio equal to one and subjected to a symmetric temperature variation over half the radius of the cylinder at the end surfaces are included. These results have been compared with the results of the approximate solution given by W. Nowacki.

Magnetism, exchange and crystal field parameters in the orbitally unquenched Ising antiferromagnet FePS3

FePS3 is a layered antiferromagnet (T N=123 K) with a marked Ising anisotropy in magnetic properties. The anisotropy arises from the combined effect of the trigonal distortion from octahedral symmetry and spin-orbit coupling on the orbitally degenerate5 T 2g ground state of the Fe2+ ion. The anisotropic paramagnetic susceptibilities are interpreted in terms of the zero field Hamiltonian, ?=?i [?(L iz 2 ?2)+|?|L i .S i ]?? ij J ij S i .S j . The crystal field trigonal distortion parameter ?, the spin-orbit coupling ? and the isotropic Heisenberg exchange,J ij, were evaluated from an analysis of the high temperature paramagnetic susceptibility data using the Correlated Effective Field (CEF) theory for many-body magnetism developed by Lines. Good agreement with experiment were obtained for ?/k=215.5 K; ?/k=166.5 K;J nn k=27.7 K; andJ nnn k=?2.3 K. Using these values of the crystal field and exchange parameters the CEF predicts aT N=122 K for FePS3, which is remarkably close to the observed value of theT N. The accuracy of the CEF approximation was also ascertained by comparing the calculated susceptibilities in the CEF with the experimental susceptibility for the isotropic Heisenberg layered antiferromagnet MnPS3, for which the high temperature series expansion susceptibility is available.

Coalescence of magic sized CdSe into rods and wires and subsequent energy transfer

We report on the synthesis of CdSe magic-sized clusters (MSCs) and their evolution into 1D rod and wires retaining the diameter of the order of MSCs. At the beginning of the reaction, different classes of stable MSCs with band gaps of 3.02 eV and 2.57 eV are formed, which exhibit sharp band edge photoluminescence features with FWHM in the order of similar to 13 nm. Reaction annealing time was carried out in order to monitor the shape evolution of the MSCs. We find that magic sized CdSe evolve into 1D rod and wires retaining the same diameter upon increasing annealing time. We observed the gradual emergence of new red shifted emission peaks during this shape evolution process, which emerge as a result of one dimensional energy transfer within the magic sized clusters during their subsequent transformation into rods and wires. The smallest, the second smallest sized MSC and the wires sequentially act as donors and acceptors during the size evolution from small MSCs to larger ones, and then eventually to wires. Steady-state and time-resolved luminescent spectroscopy revealed Forster resonance energy transfer (FRET) between the MSCs to the rods and wires.

Binding of two DNA molecules by type II topoisomerases for decatenation

Topoisomerases (topos) maintain DNA topology and influence DNA transaction processes by catalysing relaxation, supercoiling and decatenation reactions. In the cellular milieu, division of labour between different topos ensures topological homeostasis and control of central processes. In Escherichia coli, DNA gyrase is the principal enzyme that carries out negative supercoiling, while topo IV catalyses decatenation, relaxation and unknotting. DNA gyrase apparently has the daunting task of undertaking both the enzyme functions in mycobacteria, where topo IV is absent. We have shown previously that mycobacterial DNA gyrase is an efficient decatenase. Here, we demonstrate that the strong decatenation property of the enzyme is due to its ability to capture two DNA segments in trans. Topo IV, a strong dedicated decatenase of E. coli, also captures two distinct DNA molecules in a similar manner. In contrast, E. coli DNA gyrase, which is a poor decatenase, does not appear to be able to hold two different DNA molecules in a stable complex. The binding of a second DNA molecule to GyrB/ParE is inhibited by ATP and the non-hydrolysable analogue, AMPPNP, and by the substitution of a prominent positively charged residue in the GyrB N-terminal cavity, suggesting that this binding represents a potential T-segment positioned in the cavity. Thus, after the GyrA/ParC mediated initial DNA capture, GyrB/ParE would bind efficiently to a second DNA in trans to form a T-segment prior to nucleotide binding and closure of the gate during decatenation.

The adenylyl cyclase Rv2212 modifies the proteome and infectivity of Mycobacterium bovis BCG

All organisms have the capacity to sense and respond to environmental changes. These signals often involve the use of second messengers such as cyclic adenosine monophosphate (cAMP). This second messenger is widely distributed among organisms and coordinates gene expression related with pathogenesis, virulence, and environmental adaptation. Genomic analysis in Mycobacterium tuberculosis has identified 16 adenylyl cyclases (AC) and one phosphodiesterase, which produce and degrade cAMP, respectively. To date, ten AC have been biochemically characterized and only one (Rv0386) has been found to be important during murine infection with M. tuberculosis. Here, we investigated the impact of hsp60-driven Rv2212 gene expression in Mycobacterium bovis Bacillus Calmette-Guerin (BCG) during growth in vitro, and during macrophage and mice infection. We found that hsp60-driven expression of Rv2212 resulted in an increased capacity of replication in murine macrophages but an attenuated phenotype in lungs and spleen when administered intravenously in mice. Furthermore, this strain displayed an altered proteome mainly affecting proteins associated with stress conditions (bfrB, groEL-2, DnaK) that could contribute to the attenuated phenotype observed in mice.

ac susceptibility and electrical resistivity in Fe80-xNixCr20 (21 \leq x \leq 30) alloys

ac susceptibility and electrical resistivity studies on polycrystalline Fe80-xNixCr20 (21 \leq x \leq 30) alloys, with x=21, 23, 26, and 30, between 4.2 and 80 K, are reported. A previous dc magnetization study indicated the presence of ferro-spin-glass mixed-phase behavior in x=23 and 26 alloys while the alloys with x=21 and 30 were found to be spin-glass and ferromagnetic, respectively. The present ac susceptibility results support the above picture. In the electrical resistivity study, a low-temperature minimum in the resistivity-temperature curve is observed in all the alloys except the ferromagnetic one.

3,3',5,5'-Tetrabromophenolsulfonphthalein (bromphenol blue), C19H10Br4O5S

M r=670.02, monoclinic, C2/c, a= 31.003(4), b=11.037(2), c=21.183(3)A, fl= 143.7 (1) °, V= 4291.2/k 3, D,n = 2.06, D x = 2.07Mgm -3, Z=8, MoKa, 2=0.7107/k, /~=7.45 mm -1, F(000) = 2560, T= 293 K, R = 0.061 for 1697 observed reflections. The bromphenol blue molecule consists essentially of three planar groupings: the sulfonphthalein ring system and two dibromophenol rings attached to the tetrahedral C atom of the five-membered ring of the sulfonphthalein system. The dibromophenol rings are inclined with resPect to each other at 73 ° whereas they make angles of 85 and 68 ° with respect to the sulfonphthalein system. The molecules aggregate into helical columns with the non-polar regions of the molecules in the interior and the polar regions on the surface. The columns are held together by a network of hydrogen bonds.

Evidence of an intermediate phase in ternary Ge7Se93-xSbx glasses

The compositional dependence of thermal properties, such as glass transition temperature (T-g), non-reversing enthalpy change (Delta H-NR) and the specific heat capacity change (Delta C-p) of melt quenched Ge7Se93-xSbx (21 a parts per thousand currency sign x a parts per thousand currency sign 31) glasses, has been studied using alternating differential scanning calorimetry (ADSC) which is analogous to modulated differential scanning calorimetry (MDSC). The glass transition temperature, T-g, which is a measure of global connectivity of the glass, has been found to increase with the addition of Sb. In addition, a change in slope has been observed in the composition dependence of T-g at an average coordination aOE (c) r > = 2.40. The experimentally observed compositional variation of glass transition temperature, has been compared with the theoretical predictions from the stochastic agglomeration theory (SAT) and has been found to be consistent. Further, a narrow thermally reversing window is seen in the compositional variation of the relaxation enthalpy (Delta H-NR), which is centered around aOE (c) r > = 2.40. The change in specific heat capacity (Delta C-p) at T-g is also found to exhibit a distinct minima at aOE (c) r > = 2.40, suggesting that the structural rearrangements for the liquid in the glass transition region are minimized around aOE (c) r > = 2.4.

A study of cubic bismuth oxides of the type bi(26-X)m(X)O(40-delta) (m=ti, mn, fe, co, ni or pb) related to gamma-bi2O3

A structural investigation of cubic oxides (space group I23) of the formula Bi(26-x)M(x)O(40-delta) (M = Ti, Mn, Fe, Co, Ni and Pb) related to the Y-Bi2O3 phase has been carried out by the Rietveld profile analysis of high-resolution X-ray powder diffraction data in order to establish the cation distributions. Compositional dependence of the cation distribution has been examined in the case of Bi26-xCoxO40-delta (1 < x < 16). The study reveals that in Bi(26-X)M(X)O(40-delta) with M = Ti, Mn, Fe, Co or Pb, the M cations tend to occupy tetrahedral (2a) sites when x < 2 while the octahedral (24f) sites are shared by the excess Co or Ni cations with Bi atoms when x > 2. Also experimental magnetic moments of Mn, Co and Ni derivatives have been used to establish the valence state and distribution of these cations.

Thermodynamic and structural consequences of changing a sulfur atom to a methylene group in the M13Nle mutation in ribonuclease-S

Two fragments of pancreatic ribonuclease A, a truncated version of S-peptide (residues 1-15) and S-protein (residues 21-124), combine to give a catalytically active complex. We have substituted the wild-type residue at position 13, methionine (Met), with norleucine (Nle), where the only covalent change is the replacement of the sulfur atom with a methylene group. The thermodynamic parameters associated with the binding of this variant to S-protein, determined by titration calorimetry in the temperature range 10-40 degrees C, are reported and compared to values previously reported [Varadarajan, R., Connelly, P. R., Sturtevant, J. M., & Richards, F. M. (1992) Biochemistry 31, 1421-1426] for other position 13 analogs. The differences in the free energy and enthalpy of binding between the Met and Nle peptides are 0.6 and 7.9 kcal/mol at 25 degrees C, respectively. These differences are slightly larger than, but comparable to, the differences in the values for the Met/Ile and Met/Leu pairs. The structure of the mutant complex was determined to 1.85 Angstrom resolution and refined to an R-factor of 17.4% The structures of mutant and wild-type complexes are practically identical although the Nle side chain has a significantly higher average B-factor than the corresponding Met side chain. In contrast, the B-factors of the atoms of the cage of residues surrounding position 13 are all somewhat lower in the Nle variant than in the Met wild-type. Thus, the large differences in the binding enthalpy appear to reside entirely in the difference in chemical properties or dynamic behavior of the -S- and -CH2- groups and not in differences in the geometry of the side chains or the internal cavity surface. In addition, a novel method of obtaining protein stability data by means of isothermal titration calorimetry is introduced.

Interaction of A beta peptide (1-40) with amino acid aluminium complexes: relevance to Alzheimer's disease

A beta (39-43 aminoacid residues) is the principal peptide component of amyloid deposits in Alzheimer's disease (AD). A beta peptide is derived from the amyloid precursor protein (APP) in which mutations give rise to many forms of familial AD. Aluminium is reported to play a key role in inducing conformational change in the synthetic beta-amyloid peptide (1-40)from alpha-helix to beta-pleated sheet, leading to aggregation and fibrillar formation. We have studied the interaction of amino acid-Al complexes such as D-Asp-Al and L-Glu-Al with A beta(1-40) in TFE/buffer (70% TFE and 30% H2O v/v pH 6.7) mixture using CD spectroscopy. The interaction of either of these amino acid complexes with A beta(1-40) results in loss of alpha-helical content and the peptide is more unstructured compared to free Al3+ in the solution. Our data strongly support the idea, that the Al3+ in the form of aminoacid-Al complexes is more effective in inducing random coil conformation in the A beta peptide than the free Al3+ present in the solution.

Solar energy potential assessment using GIS

Renewable energy resources are those having a cycling time less than 100 years and are renewed by the nature and their supply exceeds the rate of consumption. Renewable energy systems use resources that are constantly replaced in nature and are usually less polluting. In order to tap the potential of renewable energy sources, there is a need to assess the availability of resources spatially as well as temporally. Geographic Information Systems (GIS) along with Remote Sensing (RS) helps in mapping on spatial and temporal scales of the resources and demand. The spatial database of resource availability and the demand would help in the regional energy planning. This paper discusses the application of geographical information system (GIS) to map the solar potential in Karnataka state, India. Regions suitable for tapping solar energy are mapped on the basis of global solar radiation data, and this analysis provides a picture of the potential. The study identifies that Coastal parts of Karnataka with the higher global solar radiation is ideally suited for harvesting solar energy. The potential analysis reveals that, maximum global solar radiation is in districts such as Uttara Kannada and Dakshina Kannada. Global solar radiation in Uttara Kannada during summer, monsoon and winter are 6.31, 4.40 and 5.48 kWh/sq.m, respectively. Similarly, Dakshina Kannada has 6.16, 3.89 and 5.21 kWh/sq.m during summer, monsoon and winter.