Threshold-like features in the magnetic response of iron-filled multi-walled carbon nanotube and polymer composite

The magnetic properties of iron-filled multi-walled carbon nanotubes dispersed in polystyrene (Fe-MWNT/PS) have been investigated as a function of Fe-MWNT concentration (0.1-15 wt%) from 300 to 10 K. Electron microscopy studies indicate that Fe nanorods (aspect ratio similar to 5) remain trapped at various lengths of MWNT and are thus, prevented from oxidation as well as aggregation. The magnetization versus applied field (M-H loop) data of 0.1 wt% of Fe-MWNTs in PS show an anomalous narrowing at low temperatures which is due to the significant contribution from shape anisotropy of Fe nanorods. The remanence shows a threshold feature at 1 wt%. The enhanced coercivity shows a maximum at 1 wt% due to the dominant dipolar interactions among Fe nanorods. Also the squareness ratio shows a maximum at 1 wt%.

Unique Utilization of a Phosphoprotein Phosphatase Fold by a Mammalian Phosphodiesterase Associated with WAGR Syndrome

Metallophosphoesterase-domain-containing protein 2 (MPPED2) is a highly evolutionarily conserved protein with orthologs found from worms to humans. The human MPPED2 gene is found in a region of chromosome 11 that is deleted in patients with WAGR (Wilms tumor, aniridia, genitourinary anomalies, and mental retardation) syndrome, and MPPED2 may function as a tumor suppressor. However, the precise cellular roles of MPPED2 are unknown, and its low phosphodiesterase activity suggests that substrate hydrolysis may not be its prime function. We present here the structures of MPPED2 and two mutants, which show that the poor activity of MPPED2 is not only a consequence of the substitution of an active-site histidine residue by glycine but also due to binding of AMP or GMP to the active site. This feature, enhanced by structural elements of the protein, allows MPPED2 to utilize the conserved phosphoprotein-phosphatase-like fold in a unique manner, ensuring that its enzymatic activity can be combined with a possible role as a scaffolding or adaptor protein. (C) 2011 Elsevier Ltd. All rights reserved.

System Nd-Pd-O: Phase diagram and thermodynamic properties of oxides using a solid-state cell with advanced features

An isothermal section of the phase diagram for the system Nd-Pd-O at 1350 K has been established by equilibration of samples representing 13 different compositions and phase identification after quenching by optical and scanning electron microscopy, x-ray diffraction, and energy dispersive analysis of x-rays. The binary oxides PdO and NdO were not stable at 1350 K. Two ternary oxides Nd4PdO7 and Nd2Pd2O5 were identified. Solid and liquid alloys, as well as the intermetallics NdPd3 and NdPd5, were found to be in equilibrium with Nd2O3. Based on the phase relations, three solidstate cells were designed to measure the Gibbs energies of formation of PdO and the two ternary oxides. An advanced version of the solid-state cell incorporating a buffer electrode was used for high-temperature thermodynamic measurements. The function of the buffer electrode, placed between reference and working electrodes, was to absorb the electrochemical flux of the mobile species through the solid electrolyte caused by trace electronic conductivity. The buffer electrode prevented polarization of the measuring electrode and ensured accurate data. Yttria-stabilized zirconia was used as the solid electrolyte and pure oxygen gas at a pressure of 0.1 MP a as the reference electrode. Electromotive force measurements, conducted from 950 to 1425 K, indicated the presence of a third ternary oxide Nd2PdO4, stable below 1135 (±10) K. Additional cells were designed to study this compound. The standard Gibbs energy of formation of PdO (†f G 0) was measured from 775 to 1125 Kusing two separate cell designs against the primary reference standard for oxygen chemical potential. Based on the thermodynamic information, chemical potential diagrams for the system Nd-Pd-O were also developed.

Charge Density Analysis of a Pentaborate Ion in an Ammonium Borate: Toward the Understanding of Topological Features in Borate Minerals

Structural and charge density distribution studies have been carried out on a single crystal data of an ammonium borate, [C(10)H(26)N(4)][B(5)O(6)(OH)(4)](2), synthesized by solvothermal method. Further, the experimentally observed geometry is used for the theoretical charge density calculations using the B3LYP/6-31G** level of theory, and the results are compared with the experimental values. Topological analysis of charge density based on the Atoms in Molecules approach for B-O bonds exhibit mixed covalent/ionic character. Detailed analysis of the hydrogen bonds in the crystal structure in the ammonium borate provides insights into the understanding of the reaction pathways that net atomic charges and electrostatic potential isosurfaces also give additional such systems. could result in the formation of borate minerals. The input to evaluate chemical and physical properties in such systems.

On Convergence of Differential Evolution Over a Class of Continuous Functions With Unique Global Optimum

Differential evolution (DE) is arguably one of the most powerful stochastic real-parameter optimization algorithms of current interest. Since its inception in the mid 1990s, DE has been finding many successful applications in real-world optimization problems from diverse domains of science and engineering. This paper takes a first significant step toward the convergence analysis of a canonical DE (DE/rand/1/bin) algorithm. It first deduces a time-recursive relationship for the probability density function (PDF) of the trial solutions, taking into consideration the DE-type mutation, crossover, and selection mechanisms. Then, by applying the concepts of Lyapunov stability theorems, it shows that as time approaches infinity, the PDF of the trial solutions concentrates narrowly around the global optimum of the objective function, assuming the shape of a Dirac delta distribution. Asymptotic convergence behavior of the population PDF is established by constructing a Lyapunov functional based on the PDF and showing that it monotonically decreases with time. The analysis is applicable to a class of continuous and real-valued objective functions that possesses a unique global optimum (but may have multiple local optima). Theoretical results have been substantiated with relevant computer simulations.

Magnetic and Mechanical Anisotropy in a Manganese 2-Methylsuccinate Framework Structure

Hybrid inorganic-organic framework materials exhibit unique properties that can be advantageously tuned through choice of the inorganic and organic components and by control of the crystal structure. We present a new hydrothermally prepared 3D hybrid framework, [Mn(2-methylsuccinate)](n) (1), comprising alternating 2D manganese oxide sheets and isolated MnO(6) octahedra, pillared via syn, anti-syn carboxylates. Powder magnetic characterization shows that the compound is a homospin Mn(II) ferrimagnet below 2.4 K. The easy-axis is revealed by single-crystal magnetic susceptibility studies and a magnetic structure is proposed. Anisotropic elastic moduli and hardness, observed through nanoindentation on differing crystal facets, were correlated with specific structural features. Such measurements of anisotropy are not commonly undertaken, yet allow for a more comprehensive understanding of structure-property relationships.

Automatic extraction of free-form surface features (FFSFs)

This paper presents a new algorithm for extracting Free-Form Surface Features (FFSFs) from a surface model. The extraction algorithm is based on a modified taxonomy of FFSFs from that proposed in the literature. A new classification scheme has been proposed for FFSFs to enable their representation and extraction. The paper proposes a separating curve as a signature of FFSFs in a surface model. FFSFs are classified based on the characteristics of the separating curve (number and type) and the influence region (the region enclosed by the separating curve). A method to extract these entities is presented. The algorithm has been implemented and tested for various free-form surface features on different types of free-form surfaces (base surfaces) and is found to correctly identify and represent the features irrespective of the type of underlying surface. The representation and extraction algorithm are both based on topology and geometry. The algorithm is data-driven and does not use any pre-defined templates. The definition presented for a feature is unambiguous and application independent. The proposed classification of FFSFs can be used to develop an ontology to determine semantic equivalences for the feature to be exchanged, mapped and used across PLM applications. (C) 2011 Elsevier Ltd. All rights reserved.

Unveiling Unusual Features of Formation of Septal Partition and Constriction in Mycobacteria-an Ultrastructural Study

The ultrastructural functions of the electron-dense glycopeptidolipid-containing outermost layer (OL), the arabinogalactan-mycolic acid-containing electron-transparent layer (ETL), and the electron-dense peptidoglycan layer (PGL) of the mycobacterial cell wall in septal growth and constriction are not clear. Therefore, using transmission electron microscopy, we studied the participation of the three layers in septal growth and constriction in the fast-growing saprophytic species Mycobacterium smegmatis and the slow-growing pathogenic species Mycobacterium xenopi and Mycobacterium tuberculosis in order to document the processes in a comprehensive and comparative manner and to find out whether the processes are conserved across different mycobacterial species. A complete septal partition is formed first by the fresh synthesis of the septal PGL (S-PGL) and septal ETL (S-ETL) from the envelope PGL (E-PGL) in M. smegmatis and M. xenopi. The S-ETL is not continuous with the envelope ETL (E-ETL) due to the presence of the E-PGL between them. The E-PGL disappears, and the S-ETL becomes continuous with the E-ETL, when the OL begins to grow and invaginate into the S-ETL for constriction. However, in M. tuberculosis, the S-PGL and S-ETL grow from the E-PGL and E-ETL, respectively, without a separation between the E-ETL and S-ETL by the E-PGL, in contrast to the process in M. smegmatis and M. xenopi. Subsequent growth and invagination of the OL into the S-ETL of the septal partition initiates and completes septal constriction in M. tuberculosis. A model for the conserved sequential process of mycobacterial septation, in which the formation of a complete septal partition is followed by constriction, is presented. The probable physiological significance of the process is discussed. The ultrastructural features of septation and constriction in mycobacteria are unusually different from those in the well-studied organisms Escherichia coli and Bacillus subtilis.

Automatic Recognition of Facial Features and Landmarking of Digital Human Head

Ergonomic design of products demands accurate human dimensions-anthropometric data. Manual measurement over live subjects, has several limitations like long time, required presence of subjects for every new measurement, physical contact etc. Hence the data currently available is limited and anthropometric data related to facial features is difficult to obtain. In this paper, we discuss a methodology to automatically detect facial features and landmarks from scanned human head models. Segmentation of face into meaningful patches corresponding to facial features is achieved by Watershed algorithms and Mathematical Morphology tools. Many Important physiognomical landmarks are identified heuristically.

A Unique Modification of the Eukaryotic Initiation Factor 5A Shows the Presence of the Complete Hypusine Pathway in Leishmania donovani

Deoxyhypusine hydroxylase (DOHH) catalyzes the final step in the post-translational synthesis of an unusual amino acid hypusine (N-(sic)-(4-amino-2-hydroxybutyl) lysine), which is present on only one cellular protein, eukaryotic initiation factor 5A (eIF5A). We present here the molecular and structural basis of the function of DOHH from the protozoan parasite, Leishmania donovani, which causes visceral leishmaniasis. The L. donovani DOHH gene is 981 bp and encodes a putative polypeptide of 326 amino acids. DOHH is a HEAT-repeat protein with eight tandem repeats of alpha-helical pairs. Four conserved histidine-glutamate sequences have been identified that may act as metal coordination sites. A similar to 42 kDa recombinant protein with a His-tag was obtained by heterologous expression of DOHH in Escherichia coli. Purified recombinant DOHH effectively catalyzed the hydroxylation of the intermediate, eIF5A-deoxyhypusine (eIF5A-Dhp), in vitro. L. donovani DOHH (LdDOHH) showed similar to 40.6% sequence identity with its human homolog. The alignment of L. donovani DOHH with the human homolog shows that there are two significant insertions in the former, corresponding to the alignment positions 159-162 (four amino acid residues) and 174-183 (ten amino acid residues) which are present in the variable loop connecting the N- and C-terminal halves of the protein, the latter being present near the substrate binding site. Deletion of the ten-amino-acid-long insertion decreased LdDOHH activity to 14% of the wild type recombinant LdDOHH. Metal chelators like ciclopirox olamine (CPX) and mimosine significantly inhibited the growth of L. donovani and DOHH activity in vitro. These inhibitors were more effective against the parasite enzyme than the human enzyme. This report, for the first time, confirms the presence of a complete hypusine pathway in a kinetoplastid unlike eubacteria and archaea. The structural differences between the L. donovani DOHH and the human homolog may be exploited for structure based design of selective inhibitors against the parasite.

Energy absorption behaviours of CSM-based GFRC plates with hemispherical features

In the present study, the mechanical behaviour of CSM (chopped strand mat)-based GFRC (glass fibre-reinforced composite) plates with single and multiple hemispheres under compressive loads has been investigated both experimentally and numerically. The basic stress-strain behaviours arc identified with quasi-static tests on two-ply coupon laminates and short cylinders, and these are followed up with compressive tests in a UTM (universal testing machine) on single- and multiple-hemisphere plates. The ability of an explicit LS-DYNA solver in predicting the complex material behaviour of composite hemispheres, including failure, is demonstrated. The relevance and scalability of the present class of structural components as `force-multipliers' and `energy-multipliers' have been justified by virtue of findings that as the number of hemispheres in a panel increased from one to four, peak load and average absorbed energy rose by factors of approximately four and six, respectively. The performance of a composite hemisphere has been compared to similar-sized steel and aluminium hemispheres, and the former is found to be of distinctly higher specific energy than the steel specimen. A simulation-based study has also been carried out on a composite 2 x 2-hemisphere panel under impact loads and its behaviour approaching that of an ideal energy absorber has been predicted. In summary, the present investigation has established the efficacy of composite plates with hemispherical force multipliers as potential energy-absorbing countermeasures and the suitability of CAE (computer-aided engineering) for their design.

Network properties of protein-decoy structures

Convergence of the vast sequence space of proteins into a highly restricted fold/conformational space suggests a simple yet unique underlying mechanism of protein folding that has been the subject of much debate in the last several decades. One of the major challenges related to the understanding of protein folding or in silico protein structure prediction is the discrimination of non-native structures/decoys from the native structure. Applications of knowledge-based potentials to attain this goal have been extensively reported in the literature. Also, scoring functions based on accessible surface area and amino acid neighbourhood considerations were used in discriminating the decoys from native structures. In this article, we have explored the potential of protein structure network (PSN) parameters to validate the native proteins against a large number of decoy structures generated by diverse methods. We are guided by two principles: (a) the PSNs capture the local properties from a global perspective and (b) inclusion of non-covalent interactions, at all-atom level, including the side-chain atoms, in the network construction accommodates the sequence dependent features. Several network parameters such as the size of the largest cluster, community size, clustering coefficient are evaluated and scored on the basis of the rank of the native structures and the Z-scores. The network analysis of decoy structures highlights the importance of the global properties contributing to the uniqueness of native structures. The analysis also exhibits that the network parameters can be used as metrics to identify the native structures and filter out non-native structures/decoys in a large number of data-sets; thus also has a potential to be used in the protein `structure prediction' problem.

Nonlinear viscoelasticity of freestanding and polymer-anchored vertically aligned carbon nanotube foams

Vertical arrays of carbon nanotubes (VACNTs) show unique mechanical behavior in compression, with a highly nonlinear response similar to that of open cell foams and the ability to recover large deformations. Here, we study the viscoelastic response of both freestanding VACNT arrays and sandwich structures composed of a VACNT array partially embedded between two layers of poly(dimethylsiloxane) (PDMS) and bucky paper. The VACNTs tested are similar to 2 mm thick foams grown via an injection chemical vapor deposition method. Both freestanding and sandwich structures exhibit a time-dependent behavior under compression. A power-law function of time is used to describe the main features observed in creep and stress-relaxation tests. The power-law exponents show nonlinear viscoelastic behavior in which the rate of creep is dependent upon the stress level and the rate of stress relaxation is dependent upon the strain level. The results show a marginal effect of the thin PDMS/bucky paper layers on the viscoelastic responses. At high strain levels (epsilon - 0.8), the peak stress for the anchored CNTs reaches similar to 45 MPa, whereas it is only similar to 15MPa for freestanding CNTs, suggesting a large effect of PDMS on the structural response of the sandwich structures. (C) 2012 American Institute of Physics. http://dx.doi.org/10.1063/1.3699184]

Graphene oxide based multilayer capsules with unique permeability properties: facile encapsulation of multiple drugs

Novel composite graphene oxide (GO)/poly(allylamine hydrochloride) (PAH) multilayer capsules have been fabricated by layer-by-layer (LbL) assembly. They were found to possess unique permeability properties compared to traditional LbL capsules. These hybrid capsules showed special ``core-shell'' loading property for encapsulation of dual drugs simultaneously into the core and shell of the capsules respectively.

Pictorial Guide to Frogs and Toads of the Western Ghats

A unique colour pictorial guide exclusively on frogs and toads of the Western Ghats of India. The guide illustrates 73 species with quality photographs, pointers to key features, pictograms, distribution maps, habitat photographs and with minimal text. Scientific and common names, museum record, actual and relative sizes, habitats and current IUCN status of each species are also provided. Species are grouped on their habitat preferences, making it easy to use in the field.