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Sample records for low-resolution structural studies

  1. Solution structural studies and low-resolution model of the Schizosaccharomyces pombe sap1 protein.

    PubMed

    Bada, M; Walther, D; Arcangioli, B; Doniach, S; Delarue, M

    2000-07-14

    Sap1 is a DNA-binding protein involved in controlling the mating type switch in fission yeast Schizosaccharomyces pombe. In the absence of any significant sequence similarity with any structurally known protein, a variety of biophysical techniques has been used to probe the solution low-resolution structure of the sap1 protein. First, sap1 is demonstrated to be an unusually elongated dimer in solution by measuring the translational diffusion coefficient with two independent techniques: dynamic light-scattering and ultracentrifugation. Second, sequence analysis revealed the existence of a long coiled-coil region, which is responsible for dimerization. The length of the predicted coiled-coil matches estimates drawn from the hydrodynamic experimental behaviour of the molecule. In addition, the same measurements done on a shorter construct with a coiled-coil region shortened by roughly one-half confirmed the localization of the long coiled-coil region. A crude T-shape model incorporating all these information was built. Third, small-angle X-ray scattering (SAXS) of the free molecule provided additional evidence for the model. In particular, the P(r) curve strikingly demonstrates the existence of long intramolecular distances. Using a novel 3D reconstruction algorithm, a low resolution 3D model of the protein has been independently constructed that matches the SAXS experimental data. It also fits the translation diffusion coefficients measurements and agrees with the first T-shaped model. This low-resolution model has clearly biologically relevant new functional implications, suggesting that sap1 is a bifunctional protein, with the two active sites being separated by as much as 120 A; a tetrapeptide repeated four times at the C terminus of the molecule is postulated to be of utmost functional importance.

  2. Deformable complex network for refining low-resolution X-ray structures

    SciTech Connect

    Zhang, Chong; Wang, Qinghua; Ma, Jianpeng

    2015-10-27

    A new refinement algorithm called the deformable complex network that combines a novel angular network-based restraint with a deformable elastic network model in the target function has been developed to aid in structural refinement in macromolecular X-ray crystallography. In macromolecular X-ray crystallography, building more accurate atomic models based on lower resolution experimental diffraction data remains a great challenge. Previous studies have used a deformable elastic network (DEN) model to aid in low-resolution structural refinement. In this study, the development of a new refinement algorithm called the deformable complex network (DCN) is reported that combines a novel angular network-based restraint with the DEN model in the target function. Testing of DCN on a wide range of low-resolution structures demonstrated that it constantly leads to significantly improved structural models as judged by multiple refinement criteria, thus representing a new effective refinement tool for low-resolution structural determination.

  3. Combining Efficient Conformational Sampling with a Deformable Elastic Network Model Facilitates Structure Refinement at Low Resolution

    PubMed Central

    Schröder, Gunnar F.; Brunger, Axel T.; Levitt, Michael

    2008-01-01

    Summary Structural studies of large proteins and protein assemblies are a difficult and pressing challenge in molecular biology. Experiments often yield only low-resolution or sparse data which are not sufficient to fully determine atomistic structures. We have developed a general geometry-based algorithm that efficiently samples conformational space under constraints imposed by low-resolution density maps obtained from electron microscopy or X-ray crystallography experiments. A deformable elastic network (DEN) is used to restrain the sampling to prior knowledge of an approximate structure. The DEN restraints dramatically reduce over-fitting, especially at low resolution. Cross-validation is used to optimally weight the structural information and experimental data. Our algorithm is robust even for noise-added density maps and has a large radius of convergence for our test case. The DEN restraints can also be used to enhance reciprocal space simulated annealing refinement. PMID:18073112

  4. On 'globbicity' of low-resolution protein structures.

    PubMed

    Guo, D Y; Blessing, R H; Langs, D A; Smith, G D

    1999-01-01

    Using Harker's [Harker (1953). Acta Cryst. 6, 731-736] idea of spherically averaged polyatomic groups or 'globs' as the units of structure suitable for analyzing low-resolution diffraction data from protein crystals, 'globbic' scattering factors have been calculated for main-chain peptide units and amino-acid side-chain groups to 3 A resolution via Debye's [Debye (1915). Ann. Phys. (Leipzig), 46, 809-823] scattering formula. It is shown that the scattering factors are insensitive to intra-globbic conformational variation and can be approximated fairly well by a single-Gaussian formula, i.e. fg(s) = Zg exp(-1.7Zgs2), where s = (sin theta)/lambda and Zg is the total electron count for the atoms of the glob. Phase errors due to the globbic approximation and their effect on electron-density maps at 3.5 A resolution have been assessed via calculations for the crambin structure; this analysis indicates that the globbic scattering factors will be useful in efforts to develop procedures for direct-methods phasing of diffraction data to approximately 3.5 A resolution from protein crystals.

  5. Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.

    PubMed

    Croll, Tristan Ian; Andersen, Gregers Rom

    2016-09-01

    While the rapid proliferation of high-resolution structures in the Protein Data Bank provides a rich set of templates for starting models, it remains the case that a great many structures both past and present are built at least in part by hand-threading through low-resolution and/or weak electron density. With current model-building tools this task can be challenging, and the de facto standard for acceptable error rates (in the form of atomic clashes and unfavourable backbone and side-chain conformations) in structures based on data with dmax not exceeding 3.5 Å reflects this. When combined with other factors such as model bias, these residual errors can conspire to make more serious errors in the protein fold difficult or impossible to detect. The three recently published 3.6-4.2 Å resolution structures of complement C4 (PDB entries 4fxg, 4fxk and 4xam) rank in the top quartile of structures of comparable resolution both in terms of Rfree and MolProbity score, yet, as shown here, contain register errors in six β-strands. By applying a molecular-dynamics force field that explicitly models interatomic forces and hence excludes most physically impossible conformations, the recently developed interactive molecular-dynamics flexible fitting (iMDFF) approach significantly reduces the complexity of the conformational space to be searched during manual rebuilding. This substantially improves the rate of detection and correction of register errors, and allows user-guided model building in maps with a resolution lower than 3.5 Å to converge to solutions with a stereochemical quality comparable to atomic resolution structures. Here, iMDFF has been used to individually correct and re-refine these three structures to MolProbity scores of <1.7, and strategies for working with such challenging data sets are suggested. Notably, the improved model allowed the resolution for complement C4b to be extended from 4.2 to 3.5 Å as demonstrated by paired refinement.

  6. Low resolution structure of the human alpha4 protein (IgBP1) and studies on the stability of alpha4 and of its yeast ortholog Tap42.

    PubMed

    Smetana, Juliana Helena Costa; Oliveira, Cristiano Luiz Pinto; Jablonka, Willy; Aguiar Pertinhez, Thelma; Carneiro, Flavia Raquel Gonçalves; Montero-Lomeli, Monica; Torriani, Iris; Zanchin, Nilson Ivo Tonin

    2006-04-01

    The yeast Tap42 and mammalian alpha4 proteins belong to a highly conserved family of regulators of the type 2A phosphatases, which participate in the rapamycin-sensitive signaling pathway, connecting nutrient availability to cell growth. The mechanism of regulation involves binding of Tap42 to Sit4 and PPH21/22 in yeast and binding of alpha4 to the catalytic subunits of type 2A-related phosphatases PP2A, PP4 and PP6 in mammals. Both recombinant proteins undergo partial proteolysis, generating stable N-terminal fragments. The full-length proteins and alpha4 C-terminal deletion mutants at amino acids 222 (alpha4Delta222), 236 (alpha4Delta236) and 254 (alpha4Delta254) were expressed in E. coli. alpha4Delta254 undergoes proteolysis, producing a fragment similar to the one generated by full-length alpha4, whereas alpha4Delta222 and alpha4Delta236 are highly stable proteins. alpha4 and Tap42 show alpha-helical circular dichroism spectra, as do their respective N-terminal proteolysis resistant products. The cloned truncated proteins alpha4Delta222 and alpha4Delta236, however, possess a higher content of alpha-helix, indicating that the C-terminal region is less structured, which is consistent with its higher sensitivity to proteolysis. In spite of their higher secondary structure content, alpha4Delta222 and alpha4Delta236 showed thermal unfolding kinetics similar to the full-length alpha4. Based on small angle X-ray scattering (SAXS), the calculated radius of gyration for alpha4 and Tap42 were 41.2 +/- 0.8 A and 42.8 +/- 0.7 A and their maximum dimension approximately 142 A and approximately 147 A, respectively. The radii of gyration for alpha4Delta222 and alpha4Delta236 were 21.6 +/- 0.3 A and 25.7 +/- 0.2 A, respectively. Kratky plots show that all studied proteins show variable degree of compactness. Calculation of model structures based on SAXS data showed that alpha4Delta222 and alpha4Delta236 proteins have globular conformation, whereas alpha4 and Tap42 exhibit

  7. xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

    SciTech Connect

    McGreevy, Ryan; Singharoy, Abhishek; Li, Qufei; Zhang, Jingfen; Xu, Dong; Perozo, Eduardo; Schulten, Klaus

    2014-09-01

    A new real-space refinement method for low-resolution X-ray crystallography is presented. The method is based on the molecular dynamics flexible fitting protocol targeted at addressing large-scale deformations of the search model to achieve refinement with minimal manual intervention. An explanation of the method is provided, augmented by results from the refinement of both synthetic and experimental low-resolution data, including an independent electrophysiological verification of the xMDFF-refined crystal structure of a voltage-sensor protein. X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of d-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP.

  8. X-ray structure determination using low-resolution electron microscopy maps for molecular replacement

    SciTech Connect

    Jackson, Ryan N.; McCoy, Airlie J.; Terwilliger, Thomas C.; Read, Randy J.; Wiedenheft, Blake

    2015-07-30

    Structures of multi-subunit macromolecular machines are primarily determined by either electron microscopy (EM) or X-ray crystallography. In many cases, a structure for a complex can be obtained at low resolution (at a coarse level of detail) with EM and at higher resolution (with finer detail) by X-ray crystallography. The integration of these two structural techniques is becoming increasingly important for generating atomic models of macromolecular complexes. A low-resolution EM image can be a powerful tool for obtaining the "phase" information that is missing from an X-ray crystallography experiment, however integration of EM and X-ray diffraction data has been technically challenging. Here we show a step-by-step protocol that explains how low-resolution EM maps can be placed in the crystallographic unit cell by molecular replacement, and how initial phases computed from the placed EM density are extended to high resolution by averaging maps over non-crystallographic symmetry. As the resolution gap between EM and Xray crystallography continues to narrow, the use of EM maps to help with X-ray crystal structure determination, as described in this protocol, will become increasingly effective.

  9. X-ray structure determination using low-resolution electron microscopy maps for molecular replacement

    DOE PAGES

    Jackson, Ryan N.; McCoy, Airlie J.; Terwilliger, Thomas C.; ...

    2015-07-30

    Structures of multi-subunit macromolecular machines are primarily determined by either electron microscopy (EM) or X-ray crystallography. In many cases, a structure for a complex can be obtained at low resolution (at a coarse level of detail) with EM and at higher resolution (with finer detail) by X-ray crystallography. The integration of these two structural techniques is becoming increasingly important for generating atomic models of macromolecular complexes. A low-resolution EM image can be a powerful tool for obtaining the "phase" information that is missing from an X-ray crystallography experiment, however integration of EM and X-ray diffraction data has been technically challenging.more » Here we show a step-by-step protocol that explains how low-resolution EM maps can be placed in the crystallographic unit cell by molecular replacement, and how initial phases computed from the placed EM density are extended to high resolution by averaging maps over non-crystallographic symmetry. As the resolution gap between EM and Xray crystallography continues to narrow, the use of EM maps to help with X-ray crystal structure determination, as described in this protocol, will become increasingly effective.« less

  10. Structure Refinement of Protein Low Resolution Models Using the GNEIMO Constrained Dynamics Method

    PubMed Central

    Park, In-Hee; Gangupomu, Vamshi; Wagner, Jeffrey; Jain, Abhinandan; Vaidehi, Nagara-jan

    2012-01-01

    The challenge in protein structure prediction using homology modeling is the lack of reliable methods to refine the low resolution homology models. Unconstrained all-atom molecular dynamics (MD) does not serve well for structure refinement due to its limited conformational search. We have developed and tested the constrained MD method, based on the Generalized Newton-Euler Inverse Mass Operator (GNEIMO) algorithm for protein structure refinement. In this method, the high-frequency degrees of freedom are replaced with hard holonomic constraints and a protein is modeled as a collection of rigid body clusters connected by flexible torsional hinges. This allows larger integration time steps and enhances the conformational search space. In this work, we have demonstrated the use of a constraint free GNEIMO method for protein structure refinement that starts from low-resolution decoy sets derived from homology methods. In the eight proteins with three decoys for each, we observed an improvement of ~2 Å in the RMSD to the known experimental structures of these proteins. The GNEIMO method also showed enrichment in the population density of native-like conformations. In addition, we demonstrated structural refinement using a “Freeze and Thaw” clustering scheme with the GNEIMO framework as a viable tool for enhancing localized conformational search. We have derived a robust protocol based on the GNEIMO replica exchange method for protein structure refinement that can be readily extended to other proteins and possibly applicable for high throughput protein structure refinement. PMID:22260550

  11. Restoring low resolution structure of biological macromolecules from solution scattering using simulated annealing.

    PubMed Central

    Svergun, D I

    1999-01-01

    A method is proposed to restore ab initio low resolution shape and internal structure of chaotically oriented particles (e.g., biological macromolecules in solution) from isotropic scattering. A multiphase model of a particle built from densely packed dummy atoms is characterized by a configuration vector assigning the atom to a specific phase or to the solvent. Simulated annealing is employed to find a configuration that fits the data while minimizing the interfacial area. Application of the method is illustrated by the restoration of a ribosome-like model structure and more realistically by the determination of the shape of several proteins from experimental x-ray scattering data. PMID:10354416

  12. Low-resolution structure of a vesicle disrupting α-synuclein oligomer that accumulates during fibrillation

    PubMed Central

    Giehm, Lise; Svergun, Dmitri I.; Otzen, Daniel E.; Vestergaard, Bente

    2011-01-01

    One of the major hallmarks of Parkinson disease is aggregation of the protein α-synuclein (αSN). Aggregate cytotoxicity has been linked to an oligomeric species formed at early stages in the aggregation process. Here we follow the fibrillation process of αSN in solution over time using small angle X-ray scattering and resolve four major coexisting species in the fibrillation process, namely monomer, dimer, fibril and an oligomer. By ab initio modeling to fit the data, we obtain a low-resolution structure of a symmetrical and slender αSN fibril in solution, consisting of a repeating unit with a maximal distance of 900 Å and a diameter of ∼180 Å. The same approach shows the oligomer to be shaped like a wreath, with a central channel and with dimensions corresponding to the width of the fibril. The structure, accumulation and decay of this oligomer is consistent with an on-pathway role for the oligomer in the fibrillation process. We propose an oligomer-driven αSN fibril formation mechanism, where the fibril is built from the oligomers. The wreath-shaped structure of the oligomer highlights its potential cytotoxicity by simple membrane permeabilization. This is confirmed by the ability of the purified oligomer to disrupt liposomes. Our results provide the first structural description in solution of a potentially cytotoxic oligomer, which accumulates during the fibrillation of αSN. PMID:21300904

  13. Low-resolution characterization of the 3D structure of the Euglena gracilis photoreceptor.

    PubMed

    Barsanti, Laura; Coltelli, Primo; Evangelista, Valtere; Passarelli, Vincenzo; Frassanito, Anna Maria; Vesentini, Nicoletta; Gualtieri, Paolo

    2008-10-24

    This paper deals with the first characterization of the structure of the photoreceptive organelle of the unicellular alga Euglena gracilis (Euglenophyta). This organelle has a three-dimensional organization consisting of up to 50 closely stacked membrane lamellae. Ionically induced unstacking of the photoreceptor lamellae revealed ordered arrays well suited to structural analysis by electron microscopy and image analysis, which ultimately yielded a low-resolution picture of the structure. Each lamella is formed by the photoreceptive membrane protein of the cell assembled within the membrane layer in a hexagonal lattice. The first order diffraction spots in the calculated Fourier transform reveals the presence of 6-fold symmetrized topography (better resolution about 90A). The 2D and 3D structural data are very similar with those recently published on proteorodopsin, a membrane protein used by marine bacterio-plankton as light-driven proton pump. In our opinion these similarity indicate that a photoreceptive protein belonging to the same superfamily of proteorodopsin could form the Euglena photoreceptor.

  14. Low-resolution characterization of the 3D structure of the Euglena gracilis photoreceptor

    SciTech Connect

    Barsanti, Laura; Coltelli, Primo; Evangelista, Valtere; Passarelli, Vincenzo; Frassanito, Anna Maria; Vesentini, Nicoletta; Gualtieri, Paolo

    2008-10-24

    This paper deals with the first characterization of the structure of the photoreceptive organelle of the unicellular alga Euglena gracilis (Euglenophyta). This organelle has a three-dimensional organization consisting of up to 50 closely stacked membrane lamellae. Ionically induced unstacking of the photoreceptor lamellae revealed ordered arrays well suited to structural analysis by electron microscopy and image analysis, which ultimately yielded a low-resolution picture of the structure. Each lamella is formed by the photoreceptive membrane protein of the cell assembled within the membrane layer in a hexagonal lattice. The first order diffraction spots in the calculated Fourier transform reveals the presence of 6-fold symmetrized topography (better resolution about 90 A). The 2D and 3D structural data are very similar with those recently published on proteorodopsin, a membrane protein used by marine bacterio-plankton as light-driven proton pump. In our opinion these similarity indicate that a photoreceptive protein belonging to the same superfamily of proteorodopsin could form the Euglena photoreceptor.

  15. Low Resolution Structural Studies Indicate that the Activator of Hsp90 ATPase 1 (Aha1) of Leishmania braziliensis Has an Elongated Shape Which Allows Its Interaction with Both N- and M-Domains of Hsp90

    PubMed Central

    Seraphim, Thiago V.; Alves, Marina M.; Silva, Indjara M.; Gomes, Francisco E. R.; Silva, Kelly P.; Murta, Silvane M. F.; Barbosa, Leandro R. S.; Borges, Júlio C.

    2013-01-01

    The Hsp90 molecular chaperone is essential for protein homeostasis and in the maturation of proteins involved with cell-cycle control. The low ATPase activity of Hsp90 is critical to drive its functional cycle, which is dependent on the Hsp90 cochaperones. The Activator of Hsp90 ATPase-1 (Aha1) is a protein formed by two domains, N- and C-terminal, that stimulates the Hsp90 ATPase activity by several folds. Although the relevance of Aha1 for Hsp90 functions has been proved, as well as its involvement in the desensitization to inhibitors of the Hsp90, the knowledge on its overall structure and behavior in solution is limited. In this work we present the functional and structural characterization of Leishmania braziliensis Aha1 (LbAha1). This protozoan is the causative agent of cutaneous and mucocutaneous leishmaniasis, a neglected disease. The recombinant LbAha1 behaves as an elongated monomer and is organized into two folded domains interconnected by a flexible linker. Functional experiments showed that LbAha1 interacts with L. braziliensis Hsp90 (LbHsp90) with micromolar dissociation constant in a stoichiometry of 2 LbAha1 to 1 LbHsp90 dimer and stimulates 10-fold the LbHsp90 ATPase activity showing positive cooperativity. Furthermore, the LbHsp90::LbAha1 complex is directed by enthalphy and opposed by entropy, probably due to the spatial freedom restrictions imposed by the proteins’ interactions. Small-angle X-ray scattering data allowed the reconstruction of low resolution models and rigid body simulations of LbAha1, indicating its mode of action on LbHsp90. Western blot experiments allowed Aha1 identification (as well as Hsp90) in three Leishmania species at two temperatures, suggesting that Aha1 is a cognate protein. All these data shed light on the LbAha1 mechanism of action, showing that it has structural dimensions and flexibility that allow interacting with both N-terminal and middle domains of the LbHsp90. PMID:23826147

  16. Characterization and Low-Resolution Structure of an Extremely Thermostable Esterase of Potential Biotechnological Interest from Pyrococcus furiosus.

    PubMed

    Mandelli, F; Gonçalves, T A; Gandin, C A; Oliveira, A C P; Oliveira Neto, M; Squina, F M

    2016-11-01

    Enzymes isolated from extremophiles often exhibit superior performance and potential industrial applications. There are several advantages performing biocatalysis at elevated temperatures, including enhanced reaction rates, increased substrate solubility and decreased risks of contamination. Furthermore, thermophilic enzymes usually exhibit high resistance against many organic solvents and detergents, and are also more resistant to proteolytic attack. In this study, we subcloned and characterized an esterase from the hyperthermophilic archaeon Pyrococcus furiosus (Pf_Est) that exhibits optimal activity around 80 °C using naphthol-derived substrates and p-nitrophenyl palmitate (pNPP). According to the circular dichroism spectra, the secondary structure of P. furiosus esterase, which is predominantly formed by a β-sheet structure, is very stable, even after incubation at 120°C. We performed SAXS to determine the low-resolution structure of Pf_Est, which is monomeric in solution at 80 °C and has a molecular weight of 28 kDa. The Km and V max values for this esterase acting on pNPP were 0.53 mmol/L and 6.5 × 10(-3) U, respectively. Pf_Est was most active in the immiscible solvents and retained more than 50 % in miscible solvents. Moreover, Pf_Est possesses transesterification capacity, presenting better results when isobutanol was used as an acyl acceptor (2.69 ± 0.14 × 10(-2) μmol/min mg) and the highest hydrolytic activity toward olive oil among different types of oils testes in this study. Collectively, these biophysical and catalytic properties are of interest for several biotechnological applications that require harsh conditions, including high temperature and the presence of organic solvents.

  17. Prediction of protein-protein interactions in dengue virus coat proteins guided by low resolution cryoEM structures

    PubMed Central

    2010-01-01

    Background Dengue virus along with the other members of the flaviviridae family has reemerged as deadly human pathogens. Understanding the mechanistic details of these infections can be highly rewarding in developing effective antivirals. During maturation of the virus inside the host cell, the coat proteins E and M undergo conformational changes, altering the morphology of the viral coat. However, due to low resolution nature of the available 3-D structures of viral assemblies, the atomic details of these changes are still elusive. Results In the present analysis, starting from Cα positions of low resolution cryo electron microscopic structures the residue level details of protein-protein interaction interfaces of dengue virus coat proteins have been predicted. By comparing the preexisting structures of virus in different phases of life cycle, the changes taking place in these predicted protein-protein interaction interfaces were followed as a function of maturation process of the virus. Besides changing the current notion about the presence of only homodimers in the mature viral coat, the present analysis indicated presence of a proline-rich motif at the protein-protein interaction interface of the coat protein. Investigating the conservation status of these seemingly functionally crucial residues across other members of flaviviridae family enabled dissecting common mechanisms used for infections by these viruses. Conclusions Thus, using computational approach the present analysis has provided better insights into the preexisting low resolution structures of virus assemblies, the findings of which can be made use of in designing effective antivirals against these deadly human pathogens. PMID:20550721

  18. Low resolution solution structure of HAMLET and the importance of its alpha-domains in tumoricidal activity.

    PubMed

    Ho, C S James; Rydstrom, Anna; Manimekalai, Malathy Sony Subramanian; Svanborg, Catharina; Grüber, Gerhard

    2012-01-01

    HAMLET (Human Alpha-lactalbumin Made LEthal to Tumor cells) is the first member in a new family of protein-lipid complexes with broad tumoricidal activity. Elucidating the molecular structure and the domains crucial for HAMLET formation is fundamental for understanding its tumoricidal function. Here we present the low-resolution solution structure of the complex of oleic acid bound HAMLET, derived from small angle X-ray scattering data. HAMLET shows a two-domain conformation with a large globular domain and an extended part of about 2.22 nm in length and 1.29 nm width. The structure has been superimposed into the related crystallographic structure of human α-lactalbumin, revealing that the major part of α-lactalbumin accommodates well in the shape of HAMLET. However, the C-terminal residues from L105 to L123 of the crystal structure of the human α-lactalbumin do not fit well into the HAMLET structure, resulting in an extended conformation in HAMLET, proposed to be required to form the tumoricidal active HAMLET complex with oleic acid. Consistent with this low resolution structure, we identified biologically active peptide epitopes in the globular as well as the extended domains of HAMLET. Peptides covering the alpha1 and alpha2 domains of the protein triggered rapid ion fluxes in the presence of sodium oleate and were internalized by tumor cells, causing rapid and sustained changes in cell morphology. The alpha peptide-oleate bound forms also triggered tumor cell death with comparable efficiency as HAMLET. In addition, shorter peptides corresponding to those domains are biologically active. These findings provide novel insights into the structural prerequisites for the dramatic effects of HAMLET on tumor cells.

  19. Low Resolution Structure and Dynamics of a Colicin-Receptor Complex Determined by Neutron Scattering

    SciTech Connect

    Clifton, Luke A; Johnson, Christopher L; Solovyova, Alexandra; Callow, Phil; Weiss, Kevin L; Ridley, Helen; Le Brun, Anton P; Kinane, Christian; Webster, John; Holt, Stephen A; Lakey, Jeremy H

    2012-01-01

    Proteins that translocate across cell membranes need to overcome a significant hydrophobic barrier. This is usually accomplished via specialized protein complexes, which provide a polar transmembrane pore. Exceptions to this include bacterial toxins, which insert into and cross the lipid bilayer itself. We are studying the mechanism by which large antibacterial proteins enter Escherichia coli via specific outer membrane proteins. Here we describe the use of neutron scattering to investigate the interaction of colicin N with its outer membrane receptor protein OmpF. The positions of lipids, colicin N, and OmpF were separately resolved within complex structures by the use of selective deuteration. Neutron reflectivity showed, in real time, that OmpF mediates the insertion of colicin N into lipid monolayers. This data were complemented by Brewster Angle Microscopy images, which showed a lateral association of OmpF in the presence of colicin N. Small angle neutron scattering experiments then defined the three-dimensional structure of the colicin N-OmpF complex. This revealed that colicin N unfolds and binds to the OmpF-lipid interface. The implications of this unfolding step for colicin translocation across membranes are discussed.

  20. A novel analytical ultracentrifugation based approach to the low resolution structure of gum arabic.

    PubMed

    Gillis, Richard B; Adams, Gary G; Alzahrani, Qushmua; Harding, Stephen E

    2016-09-01

    Under investigation are the structural properties of gum arabic, an industrially important biopolymer for use as a stabilizer or in drug delivery, using Analytical Ultracentrifugation-a well-established, matrix-free probe for macromolecular size and shape. These results are combined with chromatographically-coupled methods (multi-angle light scattering, differential press imbalance viscometry) to provide a global analysis of its structure in varying ionic strength conditions. This analysis indicates that gum Arabic may have a compact, elliptical structure in solution, the significance of which for biotechnological use is indicated. This modelling method can be applied to other biopolymers and synthetic polymers. © 2016 Wiley Periodicals, Inc. Biopolymers 105: 618-625, 2016.

  1. Direct determination of the lamellar structure of peripheral nerve myelin at low resolution (17 A).

    PubMed

    McIntosh, T J; Worthington, C R

    1974-05-01

    New X-ray diffraction data from normal nerve and nerve swollen in glycerol solutions have been recorded. Direct methods of structure analysis have been used in the interpretation of the X-ray data, and the phases of the first five orders of diffraction of peripheral nerve myelin have been uniquely determined. The direct methods include deconvolution of the autocorrelation function, sampling theorem reconstructions, and Fourier synthesis comparisons. Electron density profiles of normal and swollen nerve myelin at a resolution of 17 A together with an electron density scale in electrons per cubic angstrom are presented.

  2. The low-resolution structure of nHDL reconstituted with DMPC with and without cholesterol reveals a mechanism for particle expansion[S

    PubMed Central

    Gogonea, Valentin; Gerstenecker, Gary S.; Wu, Zhiping; Lee, Xavier; Topbas, Celalettin; Wagner, Matthew A.; Tallant, Thomas C.; Smith, Jonathan D.; Callow, Philip; Pipich, Vitaliy; Malet, Hélène; Schoehn, Guy; DiDonato, Joseph A.; Hazen, Stanley L.

    2013-01-01

    Small-angle neutron scattering (SANS) with contrast variation was used to obtain the low-resolution structure of nascent HDL (nHDL) reconstituted with dimyristoyl phosphatidylcholine (DMPC) in the absence and presence of cholesterol, [apoA1:DMPC (1:80, mol:mol) and apoA1:DMPC:cholesterol (1:86:9, mol:mol:mol)]. The overall shape of both particles is discoidal with the low-resolution structure of apoA1 visualized as an open, contorted, and out of plane conformation with three arms in nascent HDL/dimyristoyl phosphatidylcholine without cholesterol (nHDLDMPC) and two arms in nascent HDL/dimyristoyl phosphatidylcholine with cholesterol (nHDLDMPC+Chol). The low-resolution shape of the lipid phase in both nHDLDMPC and nHDLDMPC+Chol were oblate ellipsoids, and fit well within their respective protein shapes. Modeling studies indicate that apoA1 is folded onto itself in nHDLDMPC, making a large hairpin, which was also confirmed independently by both cross-linking mass spectrometry and hydrogen-deuterium exchange (HDX) mass spectrometry analyses. In nHDLDMPC+Chol, the lipid was expanded and no hairpin was visible. Importantly, despite the overall discoidal shape of the whole particle in both nHDLDMPC and nHDLDMPC+Chol, an open conformation (i.e., not a closed belt) of apoA1 is observed. Collectively, these data show that full length apoA1 retains an open architecture that is dictated by its lipid cargo. The lipid is likely predominantly organized as a bilayer with a micelle domain between the open apoA1 arms. The apoA1 configuration observed suggests a mechanism for accommodating changing lipid cargo by quantized expansion of hairpin structures. PMID:23349207

  3. Unraveling low-resolution structural data of large biomolecules by constructing atomic models with experiment-targeted parallel cascade selection simulations

    NASA Astrophysics Data System (ADS)

    Peng, Junhui; Zhang, Zhiyong

    2016-07-01

    Various low-resolution experimental techniques have gained more and more popularity in obtaining structural information of large biomolecules. In order to interpret the low-resolution structural data properly, one may need to construct an atomic model of the biomolecule by fitting the data using computer simulations. Here we develop, to our knowledge, a new computational tool for such integrative modeling by taking the advantage of an efficient sampling technique called parallel cascade selection (PaCS) simulation. For given low-resolution structural data, this PaCS-Fit method converts it into a scoring function. After an initial simulation starting from a known structure of the biomolecule, the scoring function is used to pick conformations for next cycle of multiple independent simulations. By this iterative screening-after-sampling strategy, the biomolecule may be driven towards a conformation that fits well with the low-resolution data. Our method has been validated using three proteins with small-angle X-ray scattering data and two proteins with electron microscopy data. In all benchmark tests, high-quality atomic models, with generally 1-3 Å from the target structures, are obtained. Since our tool does not need to add any biasing potential in the simulations to deform the structure, any type of low-resolution data can be implemented conveniently.

  4. Low resolution brain electromagnetic tomography in a realistic geometry head model: a simulation study

    NASA Astrophysics Data System (ADS)

    Ding, Lei; Lai, Yuan; He, Bin

    2005-01-01

    It is of importance to localize neural sources from scalp recorded EEG. Low resolution brain electromagnetic tomography (LORETA) has received considerable attention for localizing brain electrical sources. However, most such efforts have used spherical head models in representing the head volume conductor. Investigation of the performance of LORETA in a realistic geometry head model, as compared with the spherical model, will provide useful information guiding interpretation of data obtained by using the spherical head model. The performance of LORETA was evaluated by means of computer simulations. The boundary element method was used to solve the forward problem. A three-shell realistic geometry (RG) head model was constructed from MRI scans of a human subject. Dipole source configurations of a single dipole located at different regions of the brain with varying depth were used to assess the performance of LORETA in different regions of the brain. A three-sphere head model was also used to approximate the RG head model, and similar simulations performed, and results compared with the RG-LORETA with reference to the locations of the simulated sources. Multi-source localizations were discussed and examples given in the RG head model. Localization errors employing the spherical LORETA, with reference to the source locations within the realistic geometry head, were about 20-30 mm, for four brain regions evaluated: frontal, parietal, temporal and occipital regions. Localization errors employing the RG head model were about 10 mm over the same four brain regions. The present simulation results suggest that the use of the RG head model reduces the localization error of LORETA, and that the RG head model based LORETA is desirable if high localization accuracy is needed.

  5. Low-resolution structures of proteins in solution retrieved from X-ray scattering with a genetic algorithm.

    PubMed Central

    Chacón, P; Morán, F; Díaz, J F; Pantos, E; Andreu, J M

    1998-01-01

    Small-angle x-ray solution scattering (SAXS) is analyzed with a new method to retrieve convergent model structures that fit the scattering profiles. An arbitrary hexagonal packing of several hundred beads containing the problem object is defined. Instead of attempting to compute the Debye formula for all of the possible mass distributions, a genetic algorithm is employed that efficiently searches the configurational space and evolves best-fit bead models. Models from different runs of the algorithm have similar or identical structures. The modeling resolution is increased by reducing the bead radius together with the search space in successive cycles of refinement. The method has been tested with protein SAXS (0.001 < S < 0.06 A(-1)) calculated from x-ray crystal structures, adding noise to the profiles. The models obtained closely approach the volumes and radii of gyration of the known structures, and faithfully reproduce the dimensions and shape of each of them. This includes finding the active site cavity of lysozyme, the bilobed structure of gamma-crystallin, two domains connected by a stalk in betab2-crystallin, and the horseshoe shape of pancreatic ribonuclease inhibitor. The low-resolution solution structure of lysozyme has been directly modeled from its experimental SAXS profile (0.003 < S < 0.03 A(-1)). The model describes lysozyme size and shape to the resolution of the measurement. The method may be applied to other proteins, to the analysis of domain movements, to the comparison of solution and crystal structures, as well as to large macromolecular assemblies. PMID:9635731

  6. Quantifying trabecular bone material anisotropy and orientation using low resolution clinical CT images: A feasibility study.

    PubMed

    Nazemi, S Majid; Cooper, David M L; Johnston, James D

    2016-09-01

    Accounting for spatial variation of trabecular material anisotropy and orientation can improve the accuracy of quantitative computed tomography-based finite element (FE) modeling of bone. The objective of this study was to investigate the feasibility of quantifying trabecular material anisotropy and orientation using clinical computed tomography (CT). Forty four cubic volumes of interest were obtained from micro-CT images of the human radius. Micro-FE modeling was performed on the samples to obtain orthotropic stiffness entries as well as trabecular orientation. Simulated computed tomography images (0.32, 0.37, and 0.5mm isotropic voxel sizes) were created by resampling micro-CT images with added image noise. The gray-level structure tensor was used to derive fabric eigenvalues and eigenvectors in simulated CT images. For 'best case' comparison purposes, Mean Intercept Length was used to define fabric from micro-CT images. Regression was used in combination with eigenvalues, imaged density and FE to inversely derive the constants used in Cowin and Zysset-Curnier fabric-elasticity equations, and for comparing image derived fabric-elasticity stiffness entries to those obtained using micro-FE. Image derived eigenvectors (which indicated trabecular orientation) were then compared to orientation derived using micro-FE. When using clinically available voxel sizes, gray-level structure tensor derived fabric combined with Cowin's equations was able to explain 94-97% of the variance in orthotropic stiffness entries while Zysset-Curnier equations explained 82-88% of the variance in stiffness. Image derived orientation deviated by 4.4-10.8° from micro-FE derived orientation. Our results indicate potential to account for spatial variation of trabecular material anisotropy and orientation in subject-specific finite element modeling of bone using clinically available CT.

  7. Low-Resolution Spectroscopic Study of the Intriguing Globular Cluster NGC 2808: Chemical Abundance Patterns among Subpopulations

    NASA Astrophysics Data System (ADS)

    Hong, Seungsoo; Lim, Dongwook; Han, Sang-Il; Lee, Young-Wook

    2017-01-01

    The presence of multiple stellar populations is now well established in most globular clusters (GCs) in the Milky Way. The origin of this phenomenon, however, is yet to be understood. In this respect, the study of NGC 2808, an intriguing GC which hosts subpopulations with extreme helium and light-element abundances, would help to understand this phenomenon. In order to investigate chemical abundance patterns among different subpopulations, we have performed low-resolution spectroscopy for the red-giant-branch stars and measured CN & CH bands, and Ca line strength. We have identified at least three subpopulations from the CN band strength. The CN band strength appears to be more efficient than Na abundance in separating earlier populations. We also find that this GC shows the CN-CH anti-correlation following the general trend of most GCs which are less affected by supernovae enrichment.

  8. Study of the F ring core at high and low resolutions with Cassini ISS

    NASA Astrophysics Data System (ADS)

    Deau, Estelle

    2014-11-01

    Saturn’s F ring evolution is still a mystery since its discovery by Pioneer 11. This ring is unique by its changing appearance, its spiral shape, its shepherd satellites Prometheus and Pandora, its ephemeral satellites, and its chaotic behavior. We focus here on the brightest and central region of the F ring called the core. Using Voyager data, the core was primarily believed to be one of the four strands of the F ring (Murray et al., 1997, Icarus, vol.129, p.304-316). However, the core is very different from the other stands, because we have demonstrated previously that the core reconnects on itself over 360 degrees, while the strands don't (Charnoz et al. 2005, Science, vol.310, p.1300-1304). Indeed, the strands originate from the core and are connected between themselves in a single feature that is a spiral, as explained in our previous works (Charnoz et al. 2005, Science, vol.310, p.1300-1304, Deau, 2007, PhD thesis University Paris 7 Denis Diderot). Our present study focus on the F ring core. We have established a protocol in (Deau, 2007, PhD thesis University Paris 7 Denis Diderot) to calculate the radial width and the radial local variations of the core using a Gaussian model. We use this method on Cassini ISS data to derive azimuthal profiles of core's radial width and local kicks. Our study shows that the F ring core is very stable on scale of several months, as suggested by the recent chaos theory of Cuzzi et al. (2014, Icarus, vol.232, p.157-175), while the spiral has a much smaller timescale, i.e. the order of a few weeks.

  9. Low-resolution structure of the full-length barley (Hordeum vulgare) SGT1 protein in solution, obtained using small-angle X-ray scattering.

    PubMed

    Taube, Michał; Pieńkowska, Joanna R; Jarmołowski, Artur; Kozak, Maciej

    2014-01-01

    SGT1 is an evolutionarily conserved eukaryotic protein involved in many important cellular processes. In plants, SGT1 is involved in resistance to disease. In a low ionic strength environment, the SGT1 protein tends to form dimers. The protein consists of three structurally independent domains (the tetratricopeptide repeats domain (TPR), the CHORD- and SGT1-containing domain (CS), and the SGT1-specific domain (SGS)), and two less conserved variable regions (VR1 and VR2). In the present study, we provide the low-resolution structure of the barley (Hordeum vulgare) SGT1 protein in solution and its dimer/monomer equilibrium using small-angle scattering of synchrotron radiation, ab-initio modeling and circular dichroism spectroscopy. The multivariate curve resolution least-square method (MCR-ALS) was applied to separate the scattering data of the monomeric and dimeric species from a complex mixture. The models of the barley SGT1 dimer and monomer were formulated using rigid body modeling with ab-initio structure prediction. Both oligomeric forms of barley SGT1 have elongated shapes with unfolded inter-domain regions. Circular dichroism spectroscopy confirmed that the barley SGT1 protein had a modular architecture, with an α-helical TPR domain, a β-sheet sandwich CS domain, and a disordered SGS domain separated by VR1 and VR2 regions. Using molecular docking and ab-initio protein structure prediction, a model of dimerization of the TPR domains was proposed.

  10. NORMA: a tool for flexible fitting of high-resolution protein structures into low-resolution electron-microscopy-derived density maps.

    PubMed

    Suhre, Karsten; Navaza, Jorge; Sanejouand, Yves Henri

    2006-09-01

    This paper describes a freely available software suite that allows the modelling of large conformational changes of high-resolution three-dimensional protein structures under the constraint of a low-resolution electron-density map. Typical applications are the interpretation of electron-microscopy data using atomic scale X-ray structural models. The software package provided should enable the interested user to perform flexible fitting on new cases without encountering major technical difficulties. The NORMA software suite including three fully executable reference cases and extensive user instructions are available at http://www.elnemo.org/NORMA/.

  11. Crystal structure of a novel non-Pfam protein PF2046 solved using low resolution B-factor sharpening and multi-crystal averaging methods

    SciTech Connect

    Su, Jing; Li, Yang; Shaw, Neil; Zhou, Weihong; Zhang, Min; Xu, Hao; Wang, Bi-Cheng; Liu, Zhi-Jie

    2012-11-13

    Sometimes crystals cannot diffract X-rays beyond 3.0 {angstrom} resolution due to the intrinsic flexibility associated with the protein. Low resolution diffraction data not only pose a challenge to structure determination, but also hamper interpretation of mechanistic details. Crystals of a 25.6 kDa non-Pfam, hypothetical protein, PF2046, diffracted X-rays to 3.38 {angstrom} resolution. A combination of Se-Met derived heavy atom positions with multiple cycles of B-factor sharpening, multi-crystal averaging, restrained refinement followed by manual inspection of electron density and model building resulted in a final model with a R value of 23.5 (R{sub free} = 24.7). The asymmetric unit was large and consisted of six molecules arranged as a homodimer of trimers. Analysis of the structure revealed the presence of a RNA binding domain suggesting a role for PF2046 in the processing of nucleic acids.

  12. Brickworx builds recurrent RNA and DNA structural motifs into medium- and low-resolution electron-density maps

    SciTech Connect

    Chojnowski, Grzegorz; Waleń, Tomasz; Piątkowski, Paweł; Potrzebowski, Wojciech; Bujnicki, Janusz M.

    2015-03-01

    A computer program that builds crystal structure models of nucleic acid molecules is presented. Brickworx is a computer program that builds crystal structure models of nucleic acid molecules using recurrent motifs including double-stranded helices. In a first step, the program searches for electron-density peaks that may correspond to phosphate groups; it may also take into account phosphate-group positions provided by the user. Subsequently, comparing the three-dimensional patterns of the P atoms with a database of nucleic acid fragments, it finds the matching positions of the double-stranded helical motifs (A-RNA or B-DNA) in the unit cell. If the target structure is RNA, the helical fragments are further extended with recurrent RNA motifs from a fragment library that contains single-stranded segments. Finally, the matched motifs are merged and refined in real space to find the most likely conformations, including a fit of the sequence to the electron-density map. The Brickworx program is available for download and as a web server at http://iimcb.genesilico.pl/brickworx.

  13. Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data.

    PubMed

    Solovyov, Leonid A

    2016-10-01

    The structure of benzene:ethane co-crystal at 90 K is refined with anisotropic displacement parameters without geometric restraints from high-resolution synchrotron X-ray powder diffraction (XRPD) data using the derivative difference method (DDM) with properly chosen weighting schemes. The average C-C bond precision achieved is 0.005 Å and the H-atom positions in ethane are refined independently. A new DDM weighting scheme is introduced that compensates for big distortions of experimental data. The results are compared with density functional theory (DFT) calculations reported by Maynard-Casely et al. [(2016). IUCrJ, 3, 192-199] where a rigid-body Rietveld refinement was also applied to the same dataset due to severe distortions of the powder pattern attributable to experimental peculiarities. For the crystal structure of 2-aminopyridinium fumarate-fumaric acid formerly refined applying 77 geometric restraints by Dong et al. [(2013). Acta Cryst. C69, 896-900], an unrestrained DDM refinement using the same XRPD pattern surprisingly gave two times narrower dispersion of interatomic distances.

  14. Effects of the South American psychoactive beverage ayahuasca on regional brain electrical activity in humans: a functional neuroimaging study using low-resolution electromagnetic tomography.

    PubMed

    Riba, Jordi; Anderer, Peter; Jané, Francesc; Saletu, Bernd; Barbanoj, Manel J

    2004-01-01

    Ayahuasca, a South American psychotropic plant tea obtained from Banisteriopsis caapi and Psychotria viridis, combines monoamine oxidase-inhibiting beta-carboline alkaloids with N,N-dimethyltryptamine (DMT), a psychedelic agent showing 5-HT(2A) agonist activity. In a clinical research setting, ayahuasca has demonstrated a combined stimulatory and psychedelic effect profile, as measured by subjective effect self-assessment instruments and dose-dependent changes in spontaneous brain electrical activity, which parallel the time course of subjective effects. In the present study, the spatial distribution of ayahuasca-induced changes in brain electrical activity was investigated by means of low-resolution electromagnetic tomography (LORETA). Electroencephalography recordings were obtained from 18 volunteers after the administration of a dose of encapsulated freeze-dried ayahuasca containing 0.85 mg DMT/kg body weight and placebo. The intracerebral power density distribution was computed with LORETA from spectrally analyzed data, and subjective effects were measured by means of the Hallucinogen Rating Scale (HRS). Statistically significant differences compared to placebo were observed for LORETA power 60 and 90 min after dosing, together with increases in all six scales of the HRS. Ayahuasca decreased power density in the alpha-2, delta, theta and beta-1 frequency bands. Power decreases in the delta, alpha-2 and beta-1 bands were found predominantly over the temporo-parieto-occipital junction, whereas theta power was reduced in the temporomedial cortex and in frontomedial regions. The present results suggest the involvement of unimodal and heteromodal association cortex and limbic structures in the psychological effects elicited by ayahuasca.

  15. Globbic approximation in low-resolution direct-methods phasing.

    PubMed

    Guo, D Y; Blessing, R H; Langs, D A

    2000-09-01

    Probabilistic direct-methods phasing theory, originally based on a uniform atomic distribution hypothesis, is shown to be adaptable to a non-uniform bulk-solvent-compensated globbic approximation for protein crystals at low resolution. The effective number n(g) of non-H protein atoms per polyatomic glob increases with decreasing resolution; low-resolution phases depend on the positions of only N(g) = N(a)/n(g) globs rather than N(a) atoms. Test calculations were performed with measured structure-factor data and the refined structural parameters from a protein crystal with approximately 10 000 non-H protein atoms per molecule and approximately 60% solvent volume. Low-resolution data sets with d(min) ranging from 15 to 5 A gave n(g) = ad(min) + b, with a = 1.0 A(-1) and b = -1.9 for the test case. Results of tangent-formula phase-estimation trials emphasize that completeness of the low-resolution data is critically important for probabilistic phasing.

  16. IRAS Low Resolution Spectra of Asteroids

    NASA Technical Reports Server (NTRS)

    Cohen, Martin; Walker, Russell G.

    2002-01-01

    Optical/near-infrared studies of asteroids are based on reflected sunlight and surface albedo variations create broad spectral features, suggestive of families of materials. There is a significant literature on these features, but there is very little work in the thermal infrared that directly probes the materials emitting on the surfaces of asteroids. We have searched for and extracted 534 thermal spectra of 245 asteroids from the original Dutch (Groningen) archive of spectra observed by the IRAS Low Resolution Spectrometer (LRS). We find that, in general, the observed shapes of the spectral continua are inconsistent with that predicted by the standard thermal model used by IRAS. Thermal models such as proposed by Harris (1998) and Harris et al.(1998) for the near-earth asteroids with the "beaming parameter" in the range of 1.0 to 1.2 best represent the observed spectral shapes. This implies that the IRAS Minor Planet Survey (IMPS, Tedesco, 1992) and the Supplementary IMPS (SIMPS, Tedesco, et al., 2002) derived asteroid diameters are systematically underestimated, and the albedos are overestimated. We have tentatively identified several spectral features that appear to be diagnostic of at least families of materials. The variation of spectral features with taxonomic class hints that thermal infrared spectra can be a valuable tool for taxonomic classification of asteroids.

  17. Use of a small peptide fragment as an inhibitor of insulin fibrillation process: a study by high and low resolution spectroscopy.

    PubMed

    Banerjee, Victor; Kar, Rajiv K; Datta, Aritreyee; Parthasarathi, Krupakar; Chatterjee, Subhrangsu; Das, Kali P; Bhunia, Anirban

    2013-01-01

    A non-toxic, nine residue peptide, NIVNVSLVK is shown to interfere with insulin fibrillation by various biophysical methods. Insulin undergoes conformational changes under certain stress conditions leading to amyloid fibrils. Fibrillation of insulin poses a problem in its long-term storage, reducing its efficacy in treating type II diabetes. The dissociation of insulin oligomer to monomer is the key step for the onset of fibrillation. The time course of insulin fibrillation at 62°C using Thioflavin T fluorescence shows an increase in the lag time from 120 min without peptide to 236 min with peptide. Transmission electron micrographs show branched insulin fibrils in its absence and less inter-fibril association in its presence. Upon incubation at 62°C and pH 2.6, insulin lost some α-helical structure as seen by Fourier transformed infra-red spectroscopy (FT-IR), but if the peptide is added, secondary structure is almost fully maintained for 3 h, though lost partially at 4 h. FT-IR spectroscopy also shows that insulin forms the cross beta structure indicative of fibrils beyond 2 h, but in the presence of the peptide, α-helix retention is seen till 4 h. Both size exclusion chromatography and dynamic light scattering show that insulin primarily exists as trimer, whose conversion to a monomer is resisted by the peptide. Saturation transfer difference nuclear magnetic resonance confirms that the hydrophobic residues in the peptide are in close contact with an insulin hydrophobic groove. Molecular dynamics simulations in conjunction with principal component analyses reveal how the peptide interrupts insulin fibrillation. In vitro hemolytic activity of the peptide showed insignificant cytotoxicity against HT1080 cells. The insulin aggregation is probed due to the inter play of two key residues, Phe(B24) and Tyr(B26) monitored from molecular dynamics simulations studies. Further new peptide based leads may be developed from this nine residue peptide.

  18. Low Resolution Picture Transmission (LRPT) Demonstration System

    NASA Technical Reports Server (NTRS)

    Fong, Wai; Yeh, Pen-Shu; Sank, Victor; Nyugen, Xuan; Xia, Wei; Duran, Steve; Day, John H. (Technical Monitor)

    2002-01-01

    Low-Resolution Picture Transmission (LRPT) is a proposed standard for direct broadcast transmission of satellite weather images. This standard is a joint effort by the European Organization for the Exploitation of Meteorological Satellites (EUMETSAT) and the National Oceanic Atmospheric Administration (NOAA). As a digital transmission scheme, its purpose is to replace the current analog Automatic Picture Transmission (APT) system for use in the Meteorological Operational (METOP) satellites. Goddard Space Flight Center has been tasked to build an LRPT Demonstration System (LDS). It's main objective is to develop or demonstrate the feasibility of a low-cost receiver utilizing a Personal Computer (PC) as the primary processing component and determine the performance of the protocol in the simulated Radio Frequency (RF) environment. The approach would consist of two phases. In the phase 1, a Commercial-off-the-Shelf (COTS) Modulator-Demodulator (MODEM) board that would perform RF demodulation would be purchased allowing the Central Processing Unit (CPU) to perform the Consultative Committee for Space Data Systems (CCSDS) protocol processing. Also since the weather images are compressed the PC would perform the decompression. Phase 1 was successfully demonstrated on December 1997. Phase 2 consists of developing a high-fidelity receiver, transmitter and environment simulator. Its goal is to find out how the METOP Specification performs in a simulated noise environment in a cost-effective receiver. The approach would be to produce a receiver using as much software as possible to perform front-end processing to take advantage of the latest high-speed PCs. Thus the COTS MODEM used in Phase 1 is performing RF demodulation along with data acquisition providing data to the receiving software. Also, environment simulator is produced using the noise patterns generated by Institute for Telecommunications Sciences (ITS) from their noise environment study.

  19. Phasic brain activity related to the onset of rapid eye movements during rapid eye movement sleep: study of event-related potentials and standardized low-resolution brain electromagnetic tomography.

    PubMed

    Ogawa, Keiko; Abe, Takashi; Nittono, Hiroshi; Yamazaki, Katuo; Hori, Tadao

    2010-09-01

    The function of rapid eye movements (REMs) during REM sleep is still a matter that is open to debate. In a previous study, we found positive brain potential (P200r) time-locked to the onset of REMs. This potential was not observed during saccades of wakefulness. In this study, we estimated the electrical generation of this potential to investigate the phasic brain activity related to REMs. Data were collected in a sleep laboratory from nine healthy university students. REMs during REM sleep were recorded during natural nocturnal sleep. Event-related potential time-locked to the onset of REMs were averaged. Standardized low-resolution brain electromagnetic tomography (sLORETA) was used to identify the current sources of P200r. The results showed that P200r have neuronal generators in the left premotor area, left primary motor and sensory cortices, left inferior parietal lobule and bilateral occipital areas (precuneus, cuneus and lingual gyrus). All these areas are known to contribute to visuomotor processing. These phasic brain activities might play a key role in explaining the function of REMs during REM sleep.

  20. Atlas-based segmentation for globus pallidus internus targeting on low-resolution MRI.

    PubMed

    Iacono, Maria I; Makris, Nikos; Mainardi, Luca; Gale, John; van der Kouwe, Andre; Mareyam, Azma; Polimeni, Jonathan R; Wald, Lawrence L; Fischl, Bruce; Eskandar, Emad N; Bonmassar, Giorgio

    2011-01-01

    In this paper we report a method to automatically segment the internal part of globus pallidus (GPi) on the pre-operative low-resolution magnetic resonance images (MRIs) of patients affected by Parkinson's disease. Herein we used an ultra-high resolution human brain dataset as electronic atlas of reference on which we segmented the GPi. First, we registered the ultra-high resolution dataset on the low-resolution dataset using a landmarks-based rigid registration. Then an affine and a non-rigid surface-based registration guided by the structures that surround the target was applied in order to propagate the labels of the GPi on the low-resolution un-segmented dataset and to accurately outline the target. The mapping of the atlas on the low-resolution MRI provided a highly accurate anatomical detail that can be useful for localizing the target.

  1. Automated lung segmentation of low resolution CT scans of rats

    NASA Astrophysics Data System (ADS)

    Rizzo, Benjamin M.; Haworth, Steven T.; Clough, Anne V.

    2014-03-01

    Dual modality micro-CT and SPECT imaging can play an important role in preclinical studies designed to investigate mechanisms, progression, and therapies for acute lung injury in rats. SPECT imaging involves examining the uptake of radiopharmaceuticals within the lung, with the hypothesis that uptake is sensitive to the health or disease status of the lung tissue. Methods of quantifying lung uptake and comparison of right and left lung uptake generally begin with identifying and segmenting the lung region within the 3D reconstructed SPECT volume. However, identification of the lung boundaries and the fissure between the left and right lung is not always possible from the SPECT images directly since the radiopharmaceutical may be taken up by other surrounding tissues. Thus, our SPECT protocol begins with a fast CT scan, the lung boundaries are identified from the CT volume, and the CT region is coregistered with the SPECT volume to obtain the SPECT lung region. Segmenting rat lungs within the CT volume is particularly challenging due to the relatively low resolution of the images and the rat's unique anatomy. Thus, we have developed an automated segmentation algorithm for low resolution micro-CT scans that utilizes depth maps to detect fissures on the surface of the lung volume. The fissure's surface location is in turn used to interpolate the fissure throughout the lung volume. Results indicate that the segmentation method results in left and right lung regions consistent with rat lung anatomy.

  2. A super resolution framework for low resolution document image OCR

    NASA Astrophysics Data System (ADS)

    Ma, Di; Agam, Gady

    2013-01-01

    Optical character recognition is widely used for converting document images into digital media. Existing OCR algorithms and tools produce good results from high resolution, good quality, document images. In this paper, we propose a machine learning based super resolution framework for low resolution document image OCR. Two main techniques are used in our proposed approach: a document page segmentation algorithm and a modified K-means clustering algorithm. Using this approach, by exploiting coherence in the document, we reconstruct from a low resolution document image a better resolution image and improve OCR results. Experimental results show substantial gain in low resolution documents such as the ones captured from video.

  3. MEASURING ORGANIC MOLECULAR EMISSION IN DISKS WITH LOW-RESOLUTION SPITZER SPECTROSCOPY

    SciTech Connect

    Teske, Johanna K.; Najita, Joan R.; Carr, John S.; Pascucci, Ilaria; Apai, Daniel; Henning, Thomas E-mail: najita@noao.edu E-mail: pascucci@stsci.edu E-mail: henning@mpia.de

    2011-06-10

    We explore the extent to which Spitzer Infrared Spectrograph (IRS) spectra taken at low spectral resolution can be used in quantitative studies of organic molecular emission from disks surrounding low-mass young stars. We use Spitzer IRS spectra taken in both the high- and low-resolution modules for the same sources to investigate whether it is possible to define line indices that can measure trends in the strength of the molecular features in low-resolution data. We find that trends in the HCN emission strength seen in the high-resolution data can be recovered in low-resolution data. In examining the factors that influence the HCN emission strength, we find that the low-resolution HCN flux is modestly correlated with stellar accretion rate and X-ray luminosity. Correlations of this kind are perhaps expected based on recent observational and theoretical studies of inner disk atmospheres. Our results demonstrate the potential of using the large number of low-resolution disk spectra that reside in the Spitzer archive to study the factors that influence the strength of molecular emission from disks. Such studies would complement results for the much smaller number of circumstellar disks that have been observed at high resolution with IRS.

  4. THE COSMIC INFRARED BACKGROUND EXPERIMENT (CIBER): THE LOW RESOLUTION SPECTROMETER

    SciTech Connect

    Tsumura, K.; Arai, T.; Matsumoto, T.; Matsuura, S.; Murata, K.; Battle, J.; Bock, J.; Brown, S.; Lykke, K.; Smith, A.; Cooray, A.; Hristov, V.; Levenson, L. R.; Mason, P.; Keating, B.; Renbarger, T.; Kim, M. G.; Lee, D. H.; Nam, U. W.; Sullivan, I.; and others

    2013-08-15

    Absolute spectrophotometric measurements of diffuse radiation at 1 {mu}m to 2 {mu}m are crucial to our understanding of the radiative content of the universe from nucleosynthesis since the epoch of reionization, the composition and structure of the zodiacal dust cloud in our solar system, and the diffuse galactic light arising from starlight scattered by interstellar dust. The Low Resolution Spectrometer (LRS) on the rocket-borne Cosmic Infrared Background Experiment is a {lambda}/{Delta}{lambda} {approx} 15-30 absolute spectrophotometer designed to make precision measurements of the absolute near-infrared sky brightness between 0.75 {mu}m <{lambda} < 2.1 {mu}m. This paper presents the optical, mechanical, and electronic design of the LRS, as well as the ground testing, characterization, and calibration measurements undertaken before flight to verify its performance. The LRS is shown to work to specifications, achieving the necessary optical and sensitivity performance. We describe our understanding and control of sources of systematic error for absolute photometry of the near-infrared extragalactic background light.

  5. The Cosmic Infrared Background Experiment (CIBER): The Low Resolution Spectrometer

    NASA Astrophysics Data System (ADS)

    Tsumura, K.; Arai, T.; Battle, J.; Bock, J.; Brown, S.; Cooray, A.; Hristov, V.; Keating, B.; Kim, M. G.; Lee, D. H.; Levenson, L. R.; Lykke, K.; Mason, P.; Matsumoto, T.; Matsuura, S.; Murata, K.; Nam, U. W.; Renbarger, T.; Smith, A.; Sullivan, I.; Suzuki, K.; Wada, T.; Zemcov, M.

    2013-08-01

    Absolute spectrophotometric measurements of diffuse radiation at 1 μm to 2 μm are crucial to our understanding of the radiative content of the universe from nucleosynthesis since the epoch of reionization, the composition and structure of the zodiacal dust cloud in our solar system, and the diffuse galactic light arising from starlight scattered by interstellar dust. The Low Resolution Spectrometer (LRS) on the rocket-borne Cosmic Infrared Background Experiment is a λ/Δλ ~ 15-30 absolute spectrophotometer designed to make precision measurements of the absolute near-infrared sky brightness between 0.75 μm <λ < 2.1 μm. This paper presents the optical, mechanical, and electronic design of the LRS, as well as the ground testing, characterization, and calibration measurements undertaken before flight to verify its performance. The LRS is shown to work to specifications, achieving the necessary optical and sensitivity performance. We describe our understanding and control of sources of systematic error for absolute photometry of the near-infrared extragalactic background light.

  6. Low-resolution density maps from atomic models: how stepping "back" can be a step "forward".

    PubMed

    Belnap, D M; Kumar, A; Folk, J T; Smith, T J; Baker, T S

    1999-01-01

    Atomic-resolution structures have had a tremendous impact on modern biological science. Much useful information also has been gleaned by merging and correlating atomic-resolution structural details with lower-resolution (15-40 A), three-dimensional (3D) reconstructions computed from images recorded with cryo-transmission electron microscopy (cryoTEM) procedures. One way to merge these structures involves reducing the resolution of an atomic model to a level comparable to a cryoTEM reconstruction. A low-resolution density map can be derived from an atomic-resolution structure by retrieving a set of atomic coordinates editing the coordinate file, computing structure factors from the model coordinates, and computing the inverse Fourier transform of the structure factors. This method is a useful tool for structural studies primarily in combination with 3D cryoTEM reconstructions. It has been used to assess the quality of 3D reconstructions, to determine corrections for the phase-contrast transfer function of the transmission electron microscope, to calibrate the dimensions and handedness of 3D reconstructions, to produce difference maps, to model features in macromolecules or macromolecular complexes, and to generate models to initiate model-based determination of particle orientation and origin parameters for 3D reconstruction.

  7. Functional Characterization and Low-Resolution Structure of an Endoglucanase Cel45A from the Filamentous Fungus Neurospora crassa OR74A: Thermostable Enzyme with High Activity Toward Lichenan and β-Glucan.

    PubMed

    Kadowaki, Marco Antonio Seiki; Camilo, Cesar Moises; Muniz, Amanda Bernardes; Polikarpov, Igor

    2015-06-01

    Biomass is the most abundant and short-term renewable natural resource on Earth whose recalcitrance toward enzymatic degradation represents significant challenge for a number of biotechnological applications. The not so abundant but critically necessary class of GH45 endoglucanases constitutes an essential component of tailored industrial enzyme cocktails because they randomly and internally cleave cellulose molecules. Moreover, GH45 glucanases are core constituents of major-brand detergent formulations as well as enzymatic aid components in the cotton processing industry, clipping unwanted cellulosic fibers from cotton (cellulosic)-based tissues. Here we report on a recombinant high-yield Neurospora crassa OR74A NcCel45A production system, a single-band GH45 endoglucanase purification, and a complete enzyme functional characterization. NcCel45A is a bimodular endoglucanase showing maximum activity at pH 6.0 and 60 °C, while most active against lichenan and β-glucans and lesser active toward filter paper, carboxymethylcellulose, and phosphoric acid-swollen cellulose. Gluco-oligosaccharide degradation fingerprinting experiments suggest cellopentaose as the minimal length substrate and ThermalFluor studies indicate that NcCel45A displays excellent stability at elevated temperatures up to 70 °C and pHs ranging from 5 to 9. Remarkably, we show that NcCel45A is uniquely resistant to a wide-range of organic solvents and small-angle X-ray scattering show a monkey-wrench molecular shape structure in solution, which indicates, unlike to other known cellulases, a non-fully extended conformation, thus conferring solvent protection. These NcCel45A unique enzymatic properties maybe key for specific industrial applications such as cotton fiber processing and detergent formulations.

  8. IRAS low resolution spectra of 26 symbiotic stars

    NASA Technical Reports Server (NTRS)

    Stencel, Robert E.; Brugel, Edward W.; Goodwill, Michael E.

    1990-01-01

    Data related to the spectral scans for 26 symbiotic stars are described which were extracted from the IRAS low resolution database. Data from the 8-15- and 15-23-micron bands are merged in a program that scales the longer wavelength and produces a weighted average of the spectral scans for each source. The survey shows that active dust producers can probably be isolated and some theories related to the presence of dust emission features are discussed in terms of source variability for measurements made with low resolution spectra.

  9. Human mobility monitoring in very low resolution visual sensor network.

    PubMed

    Bo, Nyan Bo; Deboeverie, Francis; Eldib, Mohamed; Guan, Junzhi; Xie, Xingzhe; Niño, Jorge; Van Haerenborgh, Dirk; Slembrouck, Maarten; Van de Velde, Samuel; Steendam, Heidi; Veelaert, Peter; Kleihorst, Richard; Aghajan, Hamid; Philips, Wilfried

    2014-11-04

    This paper proposes an automated system for monitoring mobility patterns using a network of very low resolution visual sensors (30 × 30 pixels). The use of very low resolution sensors reduces privacy concern, cost, computation requirement and power consumption. The core of our proposed system is a robust people tracker that uses low resolution videos provided by the visual sensor network. The distributed processing architecture of our tracking system allows all image processing tasks to be done on the digital signal controller in each visual sensor. In this paper, we experimentally show that reliable tracking of people is possible using very low resolution imagery. We also compare the performance of our tracker against a state-of-the-art tracking method and show that our method outperforms. Moreover, the mobility statistics of tracks such as total distance traveled and average speed derived from trajectories are compared with those derived from ground truth given by Ultra-Wide Band sensors. The results of this comparison show that the trajectories from our system are accurate enough to obtain useful mobility statistics.

  10. 4MOST low-resolution spectrograph: design and performances

    NASA Astrophysics Data System (ADS)

    Laurent, F.; Kosmalski, Johan; Boudon, Didier; Caillier, Patrick; Daguisé, Eric; Migniau, Jean-Emmanuel; Pécontal, Arlette; Richard, Johan; Barden, Samuel C.; Bellido-Tirado, Olga; Frey, Steffen; Saviauk, Allar

    2016-08-01

    4MOST, the 4m Multi Object Spectroscopic Telescope, is an upcoming optical, fibre-fed, MOS facility for the VISTA telescope at ESO's Paranal Observatory in Chile. Its main science drivers are in the fields of galactic archeology, highenergy physics, galaxy evolution and cosmology. The preliminary design of 4MOST features 2436 fibres split into lowresolution (1624 fibres, 370-950 nm, R > 4000) and high-resolution spectrographs (812 fibres, three arms, 44-69 nm coverage each, R >18000) with a fibre positioner and covering an hexagonal field of view of 4.1 deg2. The 4MOST consortium consists of several institutes in Europe and Australia under leadership of the Leibniz-Institut für Astrophysik, Potsdam (AIP). 4MOST is currently in its Preliminary Design Phase with an expected start of science operations in 2021. Two third of fibres go to two Low Resolution Spectrographs with three channels per spectrograph. Each low resolution spectrograph is composed of 812 scientific and 10 calibration fibres using 85μm core fibres at f/3, a 200mm beam for an off-axis collimator associated to its Schmidt corrector, 3 arms with f/1.73 cameras and standard 6k x 6k 15μm pixel detectors. CRAL has the responsibility of the Low Resolution Spectrographs. In this paper, the optical design and performances of 4MOST Low Resolution Spectrograph designed for 4MOST PDR in June, 2016 will be presented. Special emphasis will be put on the Low Resolution Spectrograph system budget and performance analysis.

  11. New low-resolution spectrometer spectra for IRAS sources

    NASA Technical Reports Server (NTRS)

    Volk, Kevin; Kwok, Sun; Stencel, R. E.; Brugel, E.

    1991-01-01

    Low-resolution spectra of 486 IRAS point sources with F sub nu(12 microns) in the range 20-40 Jy are presented. This is part of an effort to extract and classify spectra that were not included in the Atlas of Low-Resolution Spectra and represents an extension of the earlier work by Volk and Cohen which covers sources with F sub nu(12 microns) greater than 40 Jy. The spectra have been examined by eye and classified into nine groups based on the spectral morphology. This new classification scheme is compared with the mechanical classification of the Atlas, and the differences are noted. Oxygen-rich stars of the asymptotic giant branch make up 33 percent of the sample. Solid state features dominate the spectra of most sources. It is found that the nature of the sources as implied by the present spectral classification is consistent with the classifications based on broad-band colors of the sources.

  12. Low-resolution face tracker robust to illumination variations.

    PubMed

    Zou, Wilman W; Yuen, Pong C; Chellappa, Rama

    2013-05-01

    In many practical video surveillance applications, the faces acquired by outdoor cameras are of low resolution and are affected by uncontrolled illumination. Although significant efforts have been made to facilitate face tracking or illumination normalization in unconstrained videos, the approaches developed may not be effective in video surveillance applications. This is because: 1) a low-resolution face contains limited information, and 2) major changes in illumination on a small region of the face make the tracking ineffective. To overcome this problem, this paper proposes to perform tracking in an illumination-insensitive feature space, called the gradient logarithm field (GLF) feature space. The GLF feature mainly depends on the intrinsic characteristics of a face and is only marginally affected by the lighting source. In addition, the GLF feature is a global feature and does not depend on a specific face model, and thus is effective in tracking low-resolution faces. Experimental results show that the proposed GLF-based tracker works well under significant illumination changes and outperforms many state-of-the-art tracking algorithms.

  13. LORES: Low resolution shape program for the calculation of small angle scattering profiles for biological macromolecules in solution

    NASA Astrophysics Data System (ADS)

    Zhou, J.; Deyhim, A.; Krueger, S.; Gregurick, S. K.

    2005-08-01

    A program for determining the low resolution shape of biological macromolecules, based on the optimization of a small angle neutron scattering profile to experimental data, is presented. This program, termed LORES, relies on a Monte Carlo optimization procedure and will allow for multiple scattering length densities of complex structures. It is therefore more versatile than utilizing a form factor approach to produce low resolution structural models. LORES is easy to compile and use, and allows for structural modeling of biological samples in real time. To illustrate the effectiveness and versatility of the program, we present four specific biological examples, Apoferritin (shell model), Ribonuclease S (ellipsoidal model), a 10-mer dsDNA (duplex helix) and a construct of a 10-mer DNA/PNA duplex helix (heterogeneous structure). These examples are taken from protein and nucleic acid SANS studies, of both large and small scale structures. We find, in general, that our program will accurately reproduce the geometric shape of a given macromolecule, when compared with the known crystallographic structures. We also present results to illustrate the lower limit of the experimental resolution which the LORES program is capable of modeling. Program summaryTitle of program:LORES Catalogue identifier: ADVC Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVC Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computer:SGI Origin200, SGI Octane, SGI Linux, Intel Pentium PC Operating systems:UNIX64 6.5 and LINUX 2.4.7 Programming language used:C Memory required to execute with typical data:8 MB No. of lines in distributed program, including test data, etc.:2270 No. of bytes in distributed program, including test data, etc.:13 302 Distribution format:tar.gz External subprograms used:The entire code must be linked with the MATH library

  14. Low resolution ultraviolet and optical spectrophotometry of symbiotic stars

    NASA Technical Reports Server (NTRS)

    Slovak, M. H.

    1982-01-01

    Low resolution International Ultraviolet Explorer spectra combined with optical spectrophotometry provide absolute flux distributions for seven symbiotic variables from 1200 to 6450 A. For five stars (EG And, BF Cyg, CI Cyg, AG Peg, and Z And) the data are representative of the quiescent/out-of-eclipse energy distributions; for CH Cyg and AX Per, the observations were obtained following their atest outburst in 1977 and 1978, respectively. The de-reddened distributions reveal a remarkable diversity of both line spectra and continua. While the optical and near infrared regions lambda = 5500 A) are well represented by single component stellar models, multicomponent flux distributions are required to reproduce the ultraviolet continua.

  15. Low-Resolution Raman-Spectroscopy Combustion Thermometry

    NASA Technical Reports Server (NTRS)

    Nguyen, Quang-Viet; Kojima, Jun

    2008-01-01

    A method of optical thermometry, now undergoing development, involves low-resolution measurement of the spectrum of spontaneous Raman scattering (SRS) from N2 and O2 molecules. The method is especially suitable for measuring temperatures in high pressure combustion environments that contain N2, O2, or N2/O2 mixtures (including air). Methods based on SRS (in which scattered light is shifted in wavelength by amounts that depend on vibrational and rotational energy levels of laser-illuminated molecules) have been popular means of probing flames because they are almost the only methods that provide spatially and temporally resolved concentrations and temperatures of multiple molecular species in turbulent combustion. The present SRS-based method differs from prior SRS-based methods that have various drawbacks, a description of which would exceed the scope of this article. Two main differences between this and prior SRS-based methods are that it involves analysis in the frequency (equivalently, wavelength) domain, in contradistinction to analysis in the intensity domain in prior methods; and it involves low-resolution measurement of what amounts to predominantly the rotational Raman spectra of N2 and O2, in contradistinction to higher-resolution measurement of the vibrational Raman spectrum of N2 only in prior methods.

  16. Stable low-resolution simulations of two-dimensional vesicle suspensions

    NASA Astrophysics Data System (ADS)

    Kabacaoglu, Gokberk; Quaife, Bryan; Biros, George

    2016-11-01

    Vesicles, which resist bending and are locally inextensible, serve as experimental and numerical proxies for red blood cells. Vesicle flows, which are governed by hydrodynamic and elastic forces, refer to flow of vesicles that are filled with and suspended in a Stokesian fluid. In this work we present algorithms for stable and accurate low-resolution simulations of the vesicle flows in two-dimensions. We use an integral equation formulation of the Stokes equation coupled to the interface mass continuity and force balance. The problem poses numerical difficulties such as long-range hydrodynamic interactions, strong nonlinearities and stiff governing equations. These difficulties make simulations with long time horizons challenging, especially at low resolutions. We develop algorithms to control aliasing errors, correct errors in vesicle's area and arc-length, and avoid collision of vesicles. Additionally, we discuss several error measures to study the accuracy of the simulations. Then we closely look at how accurate the low-resolution simulations can capture true physics of the vesicle flows.

  17. Facial identification in very low-resolution images simulating prosthetic vision

    NASA Astrophysics Data System (ADS)

    Chang, M. H.; Kim, H. S.; Shin, J. H.; Park, K. S.

    2012-08-01

    Familiar facial identification is important to blind or visually impaired patients and can be achieved using a retinal prosthesis. Nevertheless, there are limitations in delivering the facial images with a resolution sufficient to distinguish facial features, such as eyes and nose, through multichannel electrode arrays used in current visual prostheses. This study verifies the feasibility of familiar facial identification under low-resolution prosthetic vision and proposes an edge-enhancement method to deliver more visual information that is of higher quality. We first generated a contrast-enhanced image and an edge image by applying the Sobel edge detector and blocked each of them by averaging. Then, we subtracted the blocked edge image from the blocked contrast-enhanced image and produced a pixelized image imitating an array of phosphenes. Before subtraction, every gray value of the edge images was weighted as 50% (mode 2), 75% (mode 3) and 100% (mode 4). In mode 1, the facial image was blocked and pixelized with no further processing. The most successful identification was achieved with mode 3 at every resolution in terms of identification index, which covers both accuracy and correct response time. We also found that the subjects recognized a distinctive face especially more accurately and faster than the other given facial images even under low-resolution prosthetic vision. Every subject could identify familiar faces even in very low-resolution images. And the proposed edge-enhancement method seemed to contribute to intermediate-stage visual prostheses.

  18. Digital tomosynthesis aided by low-resolution exact computed tomography.

    PubMed

    Zeng, Kai; Yu, Hengyong; Zhao, Shiying; Fajardo, Laurie Lee; Ruth, Christopher; Jing, Zhenxue; Wang, Ge

    2007-01-01

    Tomosynthesis reconstructs 3-dimensional images of an object from a significantly fewer number of projections as compared with that required by computed tomography (CT). A major problem with tomosynthesis is image artifacts associated with the data incompleteness. In this article, we propose a hybrid tomosynthesis approach to achieve higher image quality as compared with competing methods. In this approach, a low-resolution CT scan is followed by a high-resolution tomosynthesis scan. Then, both scans are combined to reconstruct images. To evaluate the image quality of the proposed method, we design a new breast phantom for numerical simulation and physical experiments. The results show that images obtained by our approach are clearly better than those obtained without such a CT scan.

  19. The quantitative electroencephalogram and the low-resolution electrical tomographic analysis in posttraumatic stress disorder.

    PubMed

    Todder, Doran; Levine, Joseph; Abujumah, Ahmad; Mater, Michael; Cohen, Hagit; Kaplan, Zeev

    2012-01-01

    The electroencephalogram (EEG) is the recording of the brain electrical activity as measured on the scalp. Using mathematical algorithms, the 3-dimensional (3D) distribution of the electrical potential inside the brain can be calculated. One of the methods to calculate it is the low-resolution electrical tomographic analysis (LORETA). In this research, we seek to find the brain structures that differentiate patients with posttraumatic stress disorder (PTSD) from controls. Ten right-handed consenting adult male patients were recruited from a PTSD clinic. All patients fulfilled Diagnostic and Statistical Manual of Mental Disorders (Fourth Edition, Text Revision [DSM-IV-TR]) criteria for chronic PTSD (duration >2 years.) and were on drug treatment regimens that had been stable for at least 2 months (involving only serotonin reuptake inhibitors [SSRIs] and benzodiazepines).The control group consisted of 10 healthy hospital staff members. All study participants underwent 19 channel EEG measurements according to current standards of practice. All artifact-free EEG strips were examined for spectral as well as LORETA analysis focusing on the theta (4-7 Hz) band which is suggested to reflect the activity of the limbic system. The theta band showed a statistically significant difference (P < .05) between the 2 groups in the right temporal lobe and in both the right and left frontal lobes. Our findings support existing research data obtained via other imaging technologies, which demonstrated structural alterations in the right temporal and frontal areas in PTSD. These results indicate that combining quantitative EEG (QEEG) and the LORETA method, among other methods, may improve the neuroanatomical resolution of EEG data analysis.

  20. Modeling shape and topology of low-resolution density maps of biological macromolecules.

    PubMed Central

    De-Alarcón, Pedro A; Pascual-Montano, Alberto; Gupta, Amarnath; Carazo, Jose M

    2002-01-01

    In the present work we develop an efficient way of representing the geometry and topology of volumetric datasets of biological structures from medium to low resolution, aiming at storing and querying them in a database framework. We make use of a new vector quantization algorithm to select the points within the macromolecule that best approximate the probability density function of the original volume data. Connectivity among points is obtained with the use of the alpha shapes theory. This novel data representation has a number of interesting characteristics, such as 1) it allows us to automatically segment and quantify a number of important structural features from low-resolution maps, such as cavities and channels, opening the possibility of querying large collections of maps on the basis of these quantitative structural features; 2) it provides a compact representation in terms of size; 3) it contains a subset of three-dimensional points that optimally quantify the densities of medium resolution data; and 4) a general model of the geometry and topology of the macromolecule (as opposite to a spatially unrelated bunch of voxels) is easily obtained by the use of the alpha shapes theory. PMID:12124252

  1. Fast fitting to low resolution density maps: elucidating large-scale motions of the ribosome.

    PubMed

    Flores, Samuel Coulbourn

    2014-01-01

    Determining the conformational rearrangements of large macromolecules is challenging experimentally and computationally. Case in point is the ribosome; it has been observed by high-resolution crystallography in several states, but many others are known only from low-resolution methods including cryo-electron microscopy. Combining these data into dynamical trajectories that may aid understanding of its largest-scale conformational changes has so far remained out of reach of computational methods. Most existing methods either model all atoms explicitly, resulting in often prohibitive cost, or use approximations that lose interesting structural and dynamical detail. In this work, I introduce Internal Coordinate Flexible Fitting, which uses full atomic forces and flexibility in limited regions of a model, capturing extensive conformational rearrangements at low cost. I use it to turn multiple low-resolution density maps, crystallographic structures and biochemical information into unified all-atoms trajectories of ribosomal translocation. Internal Coordinate Flexible Fitting is three orders of magnitude faster than the most comparable existing method.

  2. Coupled kernel embedding for low resolution face image recognition.

    PubMed

    Ren, Chuan-Xian; Dai, Dao-Qing; Yan, Hong

    2012-08-01

    Practical video scene and face recognition systems are sometimes confronted with low-resolution (LR) images. The faces may be very small even if the video is clear, thus it is difficult to directly measure the similarity between the faces and the high-resolution (HR) training samples. Traditional super-resolution (SR) methods based face recognition usually have limited performance because the target of SR may not be consistent with that of classification, and time-consuming SR algorithms are not suitable for real-time applications. In this paper, a new feature extraction method called Coupled Kernel Embedding (CKE) is proposed for LR face recognition without any SR preprocessing. In this method, the final kernel matrix is constructed by concatenating two individual kernel matrices in the diagonal direction, and the (semi-)positively definite properties are preserved for optimization. CKE addresses the problem of comparing multi-modal data that are difficult for conventional methods in practice due to the lack of an efficient similarity measure. Particularly, different kernel types (e.g., linear, Gaussian, polynomial) can be integrated into an uniformed optimization objective, which cannot be achieved by simple linear methods. CKE solves this problem by minimizing the dissimilarities captured by their kernel Gram matrices in the low- and high-resolution spaces. In the implementation, the nonlinear objective function is minimized by a generalized eigenvalue decomposition. Experiments on benchmark and real databases show that our CKE method indeed improves the recognition performance.

  3. Cartography of asteroids and comet nuclei from low resolution data

    NASA Technical Reports Server (NTRS)

    Stooke, Philip J.

    1992-01-01

    High resolution images of non-spherical objects, such as Viking images of Phobos and the anticipated Galileo images of Gaspra, lend themselves to conventional planetary cartographic procedures: control network analysis, stereophotogrammetry, image mosaicking in 2D or 3D, and airbrush mapping. There remains the problem of a suitable map projection for bodies which are extremely elongated or irregular in shape. Many bodies will soon be seen at lower resolution (5-30 pixels across the disk) in images from speckle interferometry, the Hubble Space Telescope, ground-based radar, distinct spacecraft encounters, and closer images degraded by smear. Different data with similar effective resolutions are available from stellar occultations, radar or lightcurve convex hulls, lightcurve modeling of albedo variations, and cometary jet modeling. With such low resolution, conventional methods of shape determination will be less useful or will fail altogether, leaving limb and terminator topography as the principal sources of topographic information. A method for shape determination based on limb and terminator topography was developed. It has been applied to the nucleus of Comet Halley and the jovian satellite Amalthea. The Amalthea results are described to give an example of the cartographic possibilities and problems of anticipated data sets.

  4. Autonomous Motion Segmentation of Multiple Objects in Low Resolution Video Using Variational Level Sets

    SciTech Connect

    Moelich, M

    2003-11-18

    This report documents research that was done during a ten week internship in the Sapphire research group at the Lawrence Livermore National Laboratory during the Summer of 2003. The goal of the study was to develop an algorithm that is capable of isolating (segmenting) moving objects in low resolution video sequences. This capability is currently being developed by the Sapphire research group as the first stage in a longer term video data mining project. This report gives a chronological account of what ideas were tried in developing the algorithm and what was learned from each attempt. The final version of the algorithm, which is described in detail, gives good results and is fast.

  5. Model-building strategies for low-resolution X-ray crystallographic data.

    PubMed

    Karmali, Anjum M; Blundell, Tom L; Furnham, Nicholas

    2009-02-01

    The interpretation of low-resolution X-ray crystallographic data proves to be challenging even for the most experienced crystallographer. Ambiguity in the electron-density map makes main-chain tracing and side-chain assignment difficult. However, the number of structures solved at resolutions poorer than 3.5 A is growing rapidly and the structures are often of high biological interest and importance. Here, the challenges faced in electron-density interpretation, the strategies that have been employed to overcome them and developments to automate the process are reviewed. The methods employed in model generation from electron microscopy, which share many of the same challenges in providing high-confidence models of macromolecular structures and assemblies, are also considered.

  6. Investigating short wavelength correlated errors on low resolution mode altimetry

    NASA Astrophysics Data System (ADS)

    Poisson, Jean-Christophe; Thibaut, Pierre; Dibarboure, Gérald; Labroue, Sylvie; Lasne, Yannick; Boy, François; Picot, Nicolas

    2013-04-01

    Although conventional radar altimetry products (Jason1, Jason2, LRM CRYOSAT2, etc) have a spatial resolution as high as 300 m, the observation of ocean scales smaller than 100 km is limited by the existence of a "spectral hump", i.e. a geographically coherent error. In the frame of the future altimetry missions (SAR for Cryosat -2 and Sentinel-3 missions and interferometry for the SWOT mission) it becomes crucial to investigate again and to better understand the signals obtained at small scales by conventional altimeter missions. Through an analysis of simulations, we show that heterogeneous backscattering scenes can result in the corruption of the altimeter waveforms and retracked parameters. The retrackers used in current ground processors cannot well fit the Brown model during backscattering events because this model has been designed for a homogeneous scene. The error is also propagated along-track because of the size and shape of the low resolution mode (LRM) disc-shaped footprint. The hump phenomenon is shown to be almost ubiquitous in the ocean, yet more intense at low latitudes and in the Indian Ocean and Western Pacific Ocean, where backscattering events are more frequent. Its overall signature could be a Gaussian-like random signal smooth for wavelengths smaller than 15 km, i.e. white noise on 1 Hz products. The analysis of current data from 5 altimetry missions highlights the influence of the instrument design and altitude, and the influence of the retracker used. The spectral hump is a systematic response to random events and it is possible to mitigate it with new processing. Simulations and geographically limited datasets from the synthetic aperture radar mode (SARM) of Cryosat-2 show that the thin stripe-shaped synthetic footprint of SARM might be less sensitive to the artifact.

  7. Trabecular bone volume fraction mapping by low-resolution MRI.

    PubMed

    Fernández-Seara, M A; Song, H K; Wehrli, F W

    2001-07-01

    Trabecular bone volume fraction (TBVF) is highly associated with the mechanical competence of trabecular bone. TBVF is ordinarily measured by histomorphometry from bone biopsies or, noninvasively, by means of high-resolution microcomputed tomography and, more recently, by micro-MRI. The latter methods require spatial resolution sufficient to resolve trabeculae, along with segmentation techniques that allow unambiguous assignment of the signal to bone or bone marrow. In this article it is shown that TBVF can be measured under low-resolution conditions by exploiting the attenuation of the MR signal resulting from fractional occupancy of the imaging voxel by bone and bone marrow, provided that a reference signal is available from a marrow volume devoid of trabeculation. The method requires accurate measurement of apparent proton density, which entails correction for various sources of error. Key among these are the spatial nonuniformity in the RF field amplitude and effects of the slice profile, which are determined by B(1) field mapping and numerical integration of the Bloch equations, respectively. By contrast, errors from variations in bone marrow composition (hematopoietic vs. fatty) between trabecular and reference site are predicted to be small and usually negligible. The method was evaluated in phantoms and in vivo in the distal radius and found to be accurate to 1% in marrow volume fraction. Finally, in a group of 12 patients of varying skeletal status, TBVF in the calcaneus was found to strongly correlate with integral bone mineral density of the lumbar vertebrae (r(2) = 0.83, p < 0.0001). The method may fail in large imaging objects such as the human trunk at high magnetic field where standing wave and RF penetration effects cause intensity variations that cannot be corrected. Magn Reson Med 46:103-113, 2001.

  8. An Adaptive Control Method for Ros-Drill Cellular Microinjector with Low-Resolution Encoder

    PubMed Central

    Zhang, Zhenyu; Olgac, Nejat

    2013-01-01

    A novel control methodology which uses a low-resolution encoder is presented for a cellular microinjection technology called the Ros-Drill (rotationally oscillating drill). It is developed primarily for ICSI (intracytoplasmic sperm injection) operations, with the objective of generating a desired oscillatory motion at the tip of a micro glass pipette. It is an inexpensive setup, which creates high-frequency (higher than 500 Hz) and small-amplitude (around 0.2 deg) rotational oscillations at the tip of an injection pipette. These rotational oscillations enable the pipette to drill into cell membranes with minimum biological damage. Such a motion control procedure presents no particular difficulty when it uses sufficiently precise motion sensors. However, size, costs, and accessibility of technology to the hardware components severely constrain the sensory capabilities. Consequently, the control mission and the trajectory tracking are adversely affected. This paper presents two contributions: (a) a dedicated novel adaptive feedback control method to achieve a satisfactory trajectory tracking capability. We demonstrate via experiments that the tracking of the harmonic rotational motion is achieved with desirable fidelity; (b) some important analytical features and related observations associated with the controlled harmonic motion which is created by the low-resolution feedback control structure. PMID:27006914

  9. Improved image reconstruction of low-resolution multichannel phase contrast angiography

    PubMed Central

    P. Krishnan, Akshara; Joy, Ajin; Paul, Joseph Suresh

    2016-01-01

    Abstract. In low-resolution phase contrast magnetic resonance angiography, the maximum intensity projected channel images will be blurred with consequent loss of vascular details. The channel images are enhanced using a stabilized deblurring filter, applied to each channel prior to combining the individual channel images. The stabilized deblurring is obtained by the addition of a nonlocal regularization term to the reverse heat equation, referred to as nonlocally stabilized reverse diffusion filter. Unlike reverse diffusion filter, which is highly unstable and blows up noise, nonlocal stabilization enhances intensity projected parallel images uniformly. Application to multichannel vessel enhancement is illustrated using both volunteer data and simulated multichannel angiograms. Robustness of the filter applied to volunteer datasets is shown using statistically validated improvement in flow quantification. Improved performance in terms of preserving vascular structures and phased array reconstruction in both simulated and real data is demonstrated using structureness measure and contrast ratio. PMID:26835501

  10. Progress in low-resolution ab initio phasing with CrowdPhase

    PubMed Central

    Jorda, Julien; Sawaya, Michael R.; Yeates, Todd O.

    2016-01-01

    Ab initio phasing by direct computational methods in low-resolution X-ray crystallography is a long-standing challenge. A common approach is to consider it as two subproblems: sampling of phase space and identification of the correct solution. While the former is amenable to a myriad of search algorithms, devising a reliable target function for the latter problem remains an open question. Here, recent developments in CrowdPhase, a collaborative online game powered by a genetic algorithm that evolves an initial population of individuals with random genetic make-up (i.e. random phases) each expressing a phenotype in the form of an electron-density map, are presented. Success relies on the ability of human players to visually evaluate the quality of these maps and, following a Darwinian survival-of-the-fittest concept, direct the search towards optimal solutions. While an initial study demonstrated the feasibility of the approach, some important crystallographic issues were overlooked for the sake of simplicity. To address these, the new CrowdPhase includes consideration of space-group symmetry, a method for handling missing amplitudes, the use of a map correlation coefficient as a quality metric and a solvent-flattening step. Performances of this installment are discussed for two low-resolution test cases based on bona fide diffraction data. PMID:26960132

  11. Progress in low-resolution ab initio phasing with CrowdPhase.

    PubMed

    Jorda, Julien; Sawaya, Michael R; Yeates, Todd O

    2016-03-01

    Ab initio phasing by direct computational methods in low-resolution X-ray crystallography is a long-standing challenge. A common approach is to consider it as two subproblems: sampling of phase space and identification of the correct solution. While the former is amenable to a myriad of search algorithms, devising a reliable target function for the latter problem remains an open question. Here, recent developments in CrowdPhase, a collaborative online game powered by a genetic algorithm that evolves an initial population of individuals with random genetic make-up (i.e. random phases) each expressing a phenotype in the form of an electron-density map, are presented. Success relies on the ability of human players to visually evaluate the quality of these maps and, following a Darwinian survival-of-the-fittest concept, direct the search towards optimal solutions. While an initial study demonstrated the feasibility of the approach, some important crystallographic issues were overlooked for the sake of simplicity. To address these, the new CrowdPhase includes consideration of space-group symmetry, a method for handling missing amplitudes, the use of a map correlation coefficient as a quality metric and a solvent-flattening step. Performances of this installment are discussed for two low-resolution test cases based on bona fide diffraction data.

  12. Progress in low-resolution ab initio phasing with CrowdPhase

    DOE PAGES

    Jorda, Julien; Sawaya, Michael R.; Yeates, Todd O.

    2016-03-01

    Ab initio phasing by direct computational methods in low-resolution X-ray crystallography is a long-standing challenge. A common approach is to consider it as two subproblems: sampling of phase space and identification of the correct solution. While the former is amenable to a myriad of search algorithms, devising a reliable target function for the latter problem remains an open question. Here, recent developments in CrowdPhase, a collaborative online game powered by a genetic algorithm that evolves an initial population of individuals with random genetic make-up (i.e. random phases) each expressing a phenotype in the form of an electron-density map, are presented.more » Success relies on the ability of human players to visually evaluate the quality of these maps and, following a Darwinian survival-of-the-fittest concept, direct the search towards optimal solutions. While an initial study demonstrated the feasibility of the approach, some important crystallographic issues were overlooked for the sake of simplicity. To address these, the new CrowdPhase includes consideration of space-group symmetry, a method for handling missing amplitudes, the use of a map correlation coefficient as a quality metric and a solvent-flattening step. Lastly, performances of this installment are discussed for two low-resolution test cases based on bona fide diffraction data.« less

  13. High-Resolution Data for a Low-Resolution World

    SciTech Connect

    Brady, Brendan Williams

    2016-05-10

    In the past 15 years, the upper section of Cañon de Valle has been severely altered by wildfires and subsequent runoff events. Loss of root structures on high-angle slopes results in debris flow and sediment accumulation in the narrow canyon bottom. The original intent of the study described here was to better understand the changes occurring in watershed soil elevations over the course of several post-fire years. An elevation dataset from 5 years post-Cerro Grande fire was compared to high-resolution LiDAR data from 14 years post-Cerro Grande fire (also 3 years post-Las Conchas fire). The following analysis was motivated by a problematic comparison of these datasets of unlike resolution, and therefore focuses on what the data reveals of itself. The objective of this study is to highlight the effects vegetation can have on remote sensing data that intends to read ground surface elevation.

  14. Single-Shot Rotational Raman Thermometry for Turbulent Flames Using a Low-Resolution Bandwidth Technique

    NASA Technical Reports Server (NTRS)

    Kojima, Jun; Nguyen, Quang-Viet

    2007-01-01

    An alternative optical thermometry technique that utilizes the low-resolution (order 10(exp 1)/cm) pure-rotational spontaneous Raman scattering of air is developed to aid single-shot multiscalar measurements in turbulent combustion studies. Temperature measurements are realized by correlating the measured envelope bandwidth of the pure-rotational manifold of the N2/O2 spectrum with a theoretical prediction of a species-weighted bandwidth. By coupling this thermometry technique with conventional vibrational Raman scattering for species determination, we demonstrate quantitative spatially resolved, single-shot measurements of the temperature and fuel/oxidizer concentrations in a high-pressure turbulent Cf4-air flame. Our technique provides not only an effective means of validating other temperature measurement methods, but also serves as a secondary thermometry technique in cases where the anti-Stokes vibrational N2 Raman signals are too low for a conventional vibrational temperature analysis.

  15. Low-Resolution Spectroscopy of Primitive Asteroids: Progress Report for SARA/VSU Survey

    NASA Technical Reports Server (NTRS)

    Leake, M. A.; Nogues, J. P.; Gaines, J. K.; Looper, J. K.; Freitas, K. A.

    2001-01-01

    Progress on a low-resolution survey of primitive C-class asteroids continues using new equipment (and its associated problems) to understand aqueous alteration in the solar system. Additional information is contained in the original extended abstract.

  16. On the utility of low resolution IUE spectroscopy of the 2800 A Mg II lines as a stellar chromosphere indicator

    SciTech Connect

    Smith, G.H.; Burstein, D.; Fanelli, M.N.; O'Connell, R.W.; Wu, C.C. Arizona State Univ., Tempe Virginia Univ., Charlottesville Computer Sciences Corp., Baltimore, MD )

    1991-02-01

    Low resolution IUE spectroscopy of the 2800-A Mg II h and k lines is shown to provide a useful means for documenting chromospheric activity among relatively young dwarf stars. An index I(Mg II) has been defined which measures the integrated flux in the region 2784-2814 A relative to the flux interpolated from nearby comparison regions. Values of this index have been derived from low resolution IUE spectra for a sample of field dwarfs for which Ca II H and K line indices have been published as part of the Mount Wilson HK program. The large range in chromospheric activity among field dwarfs that is exhibited by the Mount Wilson Ca II S index is found to also be reflected by the lower resolution I(Mg II) index. Using an age calibration of Ca II emission line strengths derived by Barry, it is found that the value of I(Mg II) can be used to distinguish between dwarfs younger and older than 3 Gyr. The low resolution nature of the I(Mg II) index means that it holds potential for use as an age diagnostic for stellar population studies. Among dwarfs of age greater than 3 Gyr there is some evidence that this Mg II index is affected by line blanketing. 27 refs.

  17. Replica Exchange Improves Sampling in Low-Resolution Docking Stage of RosettaDock

    PubMed Central

    Zhang, Zhe; Lange, Oliver F.

    2013-01-01

    Many protein-protein docking protocols are based on a shotgun approach, in which thousands of independent random-start trajectories minimize the rigid-body degrees of freedom. Another strategy is enumerative sampling as used in ZDOCK. Here, we introduce an alternative strategy, ReplicaDock, using a small number of long trajectories of temperature replica exchange. We compare replica exchange sampling as low-resolution stage of RosettaDock with RosettaDock's original shotgun sampling as well as with ZDOCK. A benchmark of 30 complexes starting from structures of the unbound binding partners shows improved performance for ReplicaDock and ZDOCK when compared to shotgun sampling at equal or less computational expense. ReplicaDock and ZDOCK consistently reach lower energies and generate significantly more near-native conformations than shotgun sampling. Accordingly, they both improve typical metrics of prediction quality of complex structures after refinement. Additionally, the refined ReplicaDock ensembles reach significantly lower interface energies and many previously hidden features of the docking energy landscape become visible when ReplicaDock is applied. PMID:24009670

  18. High Resolution Image Reconstruction from Projection of Low Resolution Images DIffering in Subpixel Shifts

    NASA Technical Reports Server (NTRS)

    Mareboyana, Manohar; Le Moigne-Stewart, Jacqueline; Bennett, Jerome

    2016-01-01

    In this paper, we demonstrate a simple algorithm that projects low resolution (LR) images differing in subpixel shifts on a high resolution (HR) also called super resolution (SR) grid. The algorithm is very effective in accuracy as well as time efficiency. A number of spatial interpolation techniques using nearest neighbor, inverse-distance weighted averages, Radial Basis Functions (RBF) etc. used in projection yield comparable results. For best accuracy of reconstructing SR image by a factor of two requires four LR images differing in four independent subpixel shifts. The algorithm has two steps: i) registration of low resolution images and (ii) shifting the low resolution images to align with reference image and projecting them on high resolution grid based on the shifts of each low resolution image using different interpolation techniques. Experiments are conducted by simulating low resolution images by subpixel shifts and subsampling of original high resolution image and the reconstructing the high resolution images from the simulated low resolution images. The results of accuracy of reconstruction are compared by using mean squared error measure between original high resolution image and reconstructed image. The algorithm was tested on remote sensing images and found to outperform previously proposed techniques such as Iterative Back Projection algorithm (IBP), Maximum Likelihood (ML), and Maximum a posterior (MAP) algorithms. The algorithm is robust and is not overly sensitive to the registration inaccuracies.

  19. On the calibration of the IRAS low-resolution spectra

    NASA Technical Reports Server (NTRS)

    Volk, Kevin; Cohen, Martin

    1989-01-01

    The need for corrections to the LRS spectra based on a study of a number of normal stars observed by IRAS is discussed. The spectra of bright stars, such as alpha CMa, were found to be inconsistent with blackbody sources, this effect being generally observed in sources earlier than about K3. An attempt is made to correct the LRS spectra by changing the blackbody calibration temperature for Alpha Tau, assumed to be a 10,000-K blackbody source for the original LRS flux calibration. It is found that an anomalously low color temperature must be assumed for alpha Tau to produce reasonable results for earlier-type stars. Corrections based on a set of stars with well-determined effective temperatures are examined, as are the resulting color temperatures for 72 stars with Atlas spectra.

  20. CARMENES input catalogue of M dwarfs. I. Low-resolution spectroscopy with CAFOS

    NASA Astrophysics Data System (ADS)

    Alonso-Floriano, F. J.; Morales, J. C.; Caballero, J. A.; Montes, D.; Klutsch, A.; Mundt, R.; Cortés-Contreras, M.; Ribas, I.; Reiners, A.; Amado, P. J.; Quirrenbach, A.; Jeffers, S. V.

    2015-05-01

    Context. CARMENES is a stabilised, high-resolution, double-channel spectrograph at the 3.5 m Calar Alto telescope. It is optimally designed for radial-velocity surveys of M dwarfs with potentially habitable Earth-mass planets. Aims: We prepare a list of the brightest, single M dwarfs in each spectral subtype observable from the northern hemisphere, from which we will select the best planet-hunting targets for CARMENES. Methods: In this first paper on the preparation of our input catalogue, we compiled a large amount of public data and collected low-resolution optical spectroscopy with CAFOS at the 2.2 m Calar Alto telescope for 753 stars. We derived accurate spectral types using a dense grid of standard stars, a double least-squares minimisation technique, and 31 spectral indices previously defined by other authors. Additionally, we quantified surface gravity, metallicity, and chromospheric activity for all the stars in our sample. Results: We calculated spectral types for all 753 stars, of which 305 are new and 448 are revised. We measured pseudo-equivalent widths of Hα for all the stars in our sample, concluded that chromospheric activity does not affect spectral typing from our indices, and tabulated 49 stars that had been reported to be young stars in open clusters, moving groups, and stellar associations. Of the 753 stars, two are new subdwarf candidates, three are T Tauri stars, 25 are giants, 44 are K dwarfs, and 679 are M dwarfs. Many of the 261 investigated dwarfs in the range M4.0-8.0 V are among the brightest stars known in their spectral subtype. Conclusions: This collection of low-resolution spectroscopic data serves as a candidate target list for the CARMENES survey and can be highly valuable for other radial-velocity surveys of M dwarfs and for studies of cool dwarfs in the solar neighbourhood. Full Tables A.1, A.2, and A.3 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc

  1. On-line content uniformity determination of tablets using low-resolution Raman spectroscopy.

    PubMed

    Wikström, Håkan; Romero-Torres, Saly; Wongweragiat, Sudaratana; Williams, Julie Ann Stuart; Grant, Edward R; Taylor, Lynne S

    2006-06-01

    Analytical techniques for rapid and nondestructive content uniformity determination of pharmaceutical solid dosage forms have been studied for several years in an effort to replace the traditional wet chemistry procedures, which are labor intensive and time consuming. Both Raman spectroscopy and near-infrared spectroscopy have been used for this purpose, and predictability errors are approaching those of the traditional techniques. In this study, a low-resolution Raman spectrometer was utilized to demonstrate the feasibility of both rapid at-line and on-line determination of tablet content uniformity. Additionally, sampling statistics were reviewed in an effort to determine how many tablets should be assayed for specific batch sizes. A good correlation was observed between assay values determined by high-performance liquid chromatography and Raman analysis. Due to rapid acquisition times for the Raman data, it was possible to analyze far more samples than with wet chemistry methods, leading to a better statistical description of variation within the batch. For at-line experiments, the sampling volume was increased by rotating the laser beam during the acquisition period. For the on-line experiments, the sampling volume was increased by sampling from a stream of tablets moving underneath the Raman probe on a conveyor system. Finally, an approach is proposed for monitoring content uniformity immediately following the compaction process. In conclusion, Raman spectroscopy has potential as a rapid, nondestructive technique for at- or on-line determination of tablet content uniformity.

  2. Investigating phobic specificity with standardized low resolution brain electromagnetic tomography (sLORETA).

    PubMed

    Scharmüller, Wilfried; Leutgeb, Verena; Schäfer, Axel; Schienle, Anne

    2012-10-05

    The current study investigated differential sources of late event-related potentials (ERPs) in two subtypes of specific phobia using sLORETA (standardized low resolution brain electromagnetic tomography). In two experiments, 14 spider-phobic patients (and controls), and 14 dentophobic patients (and controls) were confronted with disorder-relevant and affectively neutral pictures while an electroencephalogram was recorded. Mean ERP amplitudes were extracted in the time windows of 300-450ms (P300) and 450-800ms (late positive potential, LPP). Analyses revealed that both spider phobics and dental phobics showed enhanced current density in parietal regions (i.e., cuneus, precuneus) for the P300 time frame when exposed to disorder-specific contents. This result can be interpreted to reflect automatic attention allocation. Spider phobics additionally displayed greater current density in the insula and the anterior/posterior cingulate cortex in the LPP time window relative to controls. Most likely, the phylogentically based spider phobia is characterized by a deeper and more prolonged attention engagement than dental phobia. Our findings are in good accordance with existing brain imaging studies and underline that source localization is a useful alternative for identifying relevant cortical regions in subtypes of specific phobia.

  3. [The radial velocity measurement accuracy of different spectral type low resolution stellar spectra at different signal-to-noise ratio].

    PubMed

    Wang, Feng-Fei; Luo, A-Li; Zhao, Yong-Heng

    2014-02-01

    The radial velocity of the star is very important for the study of the dynamics structure and chemistry evolution of the Milky Way, is also an useful tool for looking for variable or special objects. In the present work, we focus on calculating the radial velocity of different spectral types of low-resolution stellar spectra by adopting a template matching method, so as to provide effective and reliable reference to the different aspects of scientific research We choose high signal-to-noise ratio (SNR) spectra of different spectral type stellar from the Sloan Digital Sky Survey (SDSS), and add different noise to simulate the stellar spectra with different SNR. Then we obtain theradial velocity measurement accuracy of different spectral type stellar spectra at different SNR by employing a template matching method. Meanwhile, the radial velocity measurement accuracy of white dwarf stars is analyzed as well. We concluded that the accuracy of radial velocity measurements of early-type stars is much higher than late-type ones. For example, the 1-sigma standard error of radial velocity measurements of A-type stars is 5-8 times as large as K-type and M-type stars. We discuss the reason and suggest that the very narrow lines of late-type stars ensure the accuracy of measurement of radial velocities, while the early-type stars with very wide Balmer lines, such as A-type stars, become sensitive to noise and obtain low accuracy of radial velocities. For the spectra of white dwarfs stars, the standard error of radial velocity measurement could be over 50 km x s(-1) because of their extremely wide Balmer lines. The above conclusion will provide a good reference for stellar scientific study.

  4. Localization of MDMA-induced brain activity in healthy volunteers using low resolution brain electromagnetic tomography (LORETA).

    PubMed

    Frei, E; Gamma, A; Pascual-Marqui, R; Lehmann, D; Hell, D; Vollenweider, F X

    2001-11-01

    3,4-Methylenedioxymethamphetamine (MDMA; 'Ecstasy') is a psychostimulant drug producing heightened mood and facilitated social communication. In animal studies, MDMA effects are primarily mediated by serotonin (5-HT), but also by dopamine (DA) and possibly noradrenaline (NA). In humans, however, the neurochemical and neurophysiological basis of acute MDMA effects remains unknown. The distribution of active neuronal populations after administration of a single dose of MDMA (1.7 mg/kg) or placebo was studied in 16 healthy, MDMA-naïve volunteers. Thirty-one-channel scalp EEGs during resting with open and closed eyes was analyzed in the different EEG frequency bands. Scalp maps of power showed significant, global differences between MDMA and placebo in both eye conditions and all frequency bands. Low resolution brain electromagnetic tomography (LORETA) was used to compute 3D, functional images of electric neuronal activity from the scalp EEG data. MDMA produced a widespread decrease of slow and medium frequency activity and an increase of fast frequency activity in the anterior temporal and posterior orbital cortex, concomitant with a marked enhancement of mood, emotional arousal and increased extraversion. This activation of frontotemporal areas indicates that the observed enhancement of mood and possibly the increased extroversion rely on modulation of limbic orbitofrontal and anterotemporal structures known to be involved in emotional processes. Comparison of the MDMA-specific EEG pattern with that of various 5-HT, DA, and NA agonists indicates that serotonin, noradrenaline, and, to a lesser degree, dopamine, contribute to the effects of MDMA on EEG, and possibly also on mood and behavior.

  5. LAMOST OBSERVATIONS IN THE KEPLER FIELD. I. DATABASE OF LOW-RESOLUTION SPECTRA

    SciTech Connect

    Cat, P. De; Ren, A. B.; Yang, X. H.; Fu, J. N.; Shi, J. R.; Luo, A. L.; Yang, M.; Wang, J. L.; Zhang, H. T.; Shi, H. M.; Zhang, W.; Dong, Subo; Catanzaro, G.; Frasca, A.; Corbally, C. J.; Gray, R. O.; Żakowicz, J. Molenda-; Uytterhoeven, K.; Briquet, M.; Bruntt, H.; and others

    2015-09-15

    The nearly continuous light curves with micromagnitude precision provided by the space mission Kepler are revolutionizing our view of pulsating stars. They have revealed a vast sea of low-amplitude pulsation modes that were undetectable from Earth. The long time base of Kepler light curves allows for the accurate determination of the frequencies and amplitudes of pulsation modes needed for in-depth asteroseismic modeling. However, for an asteroseismic study to be successful, the first estimates of stellar parameters need to be known and they cannot be derived from the Kepler photometry itself. The Kepler Input Catalog provides values for the effective temperature, surface gravity, and metallicity, but not always with sufficient accuracy. Moreover, information on the chemical composition and rotation rate is lacking. We are collecting low-resolution spectra for objects in the Kepler field of view with the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (lamost, Xinglong observatory, China). All of the requested fields have now been observed at least once. In this paper, we describe those observations and provide a useful database for the whole astronomical community.

  6. An EXES Low-Resolution Search for Formaldehyde Gas in the Protoplanetary Disk of DL Tau

    NASA Astrophysics Data System (ADS)

    Sargent, Benjamin

    2015-10-01

    We propose to obtain medium resolution mid-infrared spectroscopy at 5.48-5.82 microns wavelength of the Class II Young Stellar Object (YSO) DL Tau using EXES on SOFIA to search for absorption from formaldehyde (H2CO) gas. Low spectral resolution (R~90) Spitzer-IRS spectra of this YSO and a number of T Tauri stars (TTSs) show an unresolved band of absorption of full width half maximum (FWHM) of ~0.6 microns centered around 5.7 microns wavelength. Modeling of the Spitzer- IRS spectra of DL Tau and the other TTSs indicates this band may be due to formaldehyde. Detection of the formaldehyde Q branch, in low resolution (R = 1150) mid-infrared spectra of YSOs would be a significant finding, as the relatively recent mid-infrared Spitzer-IRS spectral studies of TTSs that have found evidence for circumstellar gas in protoplanetary disks have found emission lines from gases such as H2O, OH, CO2, HCN, and C2H2 (e.g., Carr & Najita 2008; Salyk et al 2008; Salyk et al 2009; Carr & Najita 2011; Pontoppidan et al 2011), but they do not find absorption lines, and they do not find H2CO.

  7. Temperatures and metallicities of M giants in the Galactic bulge from low-resolution K-band spectra

    NASA Astrophysics Data System (ADS)

    Schultheis, M.; Ryde, N.; Nandakumar, G.

    2016-05-01

    Context. With the existing and upcoming large multifibre low-resolution spectrographs, the question arises of how precise stellar parameters such as Teff and [Fe/H] can be obtained from low-resolution K-band spectra with respect to traditional photometric temperature measurements. Until now, most of the effective temperatures in Galactic bulge studies come directly from photometric techniques. Uncertainties in interstellar reddening and in the assumed extinction law could lead to large systematic errors (>200 K). Aims: We obtain and calibrate the relation between Teff and the 12CO first overtone bands for M giants in the Galactic bulge covering a wide range in metallicity. Methods: We used low-resolution spectra for 20 M giants with well-studied parameters from photometric measurements covering the temperature range 3200 study the behaviour of Teff and [Fe/H] on the spectral indices. Results: We find a tight relation between Teff and the 12CO(2-0) band with a dispersion of 95 K and between Teff and the 12CO(3-1) with a dispersion of 120 K. We do not find any dependence of these relations on the metallicity of the star, which makes them attractive for Galactic bulge studies. This relation is also not sensitive to the spectral resolution, which allows this relation to be applied in a more general way. We also find a correlation between the combination of the Na i, Ca i, and the 12CO band with the metallicity of the star. However, this relation is only valid for subsolar metallicities. Conclusions: We show that low-resolution spectra provide a powerful tool for obtaining effective temperatures of M giants. We show that this relation does not depend on the metallicity of the star within the investigated range and is also applicable to different spectral resolutions making this relation in general useful for deriving effective temperatures in high-extinction regions where photometric temperatures

  8. Low-resolution mid-infrared reflection analysis for discernment of contaminants in seed cotton

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Contaminants often decrease cotton quality, which subsequently decrease cotton profitability. In this research, a low-resolution mid-infrared reflection instrument was designed and constructed by using only four different wavelengths to accomplish good separation of cotton samples from 14 contaminan...

  9. Low-Resolution Molecular Models Reveal the Oligomeric State of the PPAR and the Conformational Organization of Its Domains in Solution

    PubMed Central

    de Oliveira Neto, Mario; Figueira, Ana Carolina M.; Webb, Paul; Saidemberg, Daniel; Palma, Mario S.; Polikarpov, Igor

    2012-01-01

    The peroxisome proliferator-activated receptors (PPARs) regulate genes involved in lipid and carbohydrate metabolism, and are targets of drugs approved for human use. Whereas the crystallographic structure of the complex of full length PPARγ and RXRα is known, structural alterations induced by heterodimer formation and DNA contacts are not well understood. Herein, we report a small-angle X-ray scattering analysis of the oligomeric state of hPPARγ alone and in the presence of retinoid X receptor (RXR). The results reveal that, in contrast with other studied nuclear receptors, which predominantly form dimers in solution, hPPARγ remains in the monomeric form by itself but forms heterodimers with hRXRα. The low-resolution models of hPPARγ/RXRα complexes predict significant changes in opening angle between heterodimerization partners (LBD) and extended and asymmetric shape of the dimer (LBD-DBD) as compared with X-ray structure of the full-length receptor bound to DNA. These differences between our SAXS models and the high-resolution crystallographic structure might suggest that there are different conformations of functional heterodimer complex in solution. Accordingly, hydrogen/deuterium exchange experiments reveal that the heterodimer binding to DNA promotes more compact and less solvent-accessible conformation of the receptor complex. PMID:22363753

  10. Calibration And Validation Of CryoSat-2 Low Resolution Mode Data

    NASA Astrophysics Data System (ADS)

    Naeije, M.; Schrama, E.; Scharroo, R.

    2011-02-01

    Running ahead of the continuously growing need for operational use of sea level products, TUDelft started off the Radar Altimeter Database System RADS many years ago. This system attends to a global international sea- level service. It supports, on one hand, science, like studies on ocean circulation, El Nio, sea level change, and ice topography, and on the other hand (offshore) operations, like delivery of ocean current information, wind and wave statistics, ice detection and ice classification. At present, the database is used by a large scientific community throughout the world, and is daily maintained and developed by Altimetrics LLC, TUDelft and NOAA. It contains all historic altimeter data, and now has to be up- dated with the data from ESAs ice mission CryoSat-2, which was launched successfully in April 2010. These new data are important to augment the data set and by that to improve the estimates of sea level change and its contributors. For this the data have to be validated and calibrated, necessary corrections added and improved (including modelling of corrections that are not directly available from the CryoSat-2 platform), and the orbit ac- curacy verified and if possible the orbits brushed up. Subsequently, value-added ocean and ice products need to be developed in synergy with all the other satellite altimeter data. During the commissioning phase we primarily looked at the sanity of the available level-1b and level-2 Low Resolution Mode (LRM) data. Here, for the 2011 CryoSat Validation Workshop, we present the results of our calibration and validation of LRM L2 data by internal comparison of CryoSat-2 and external comparison with other satellites. We have established a range bias of 3.77 (measurement range too long) and a timing bias of 8.2ms (measurement range too late).

  11. Pedestrian Detection and Tracking from Low-Resolution Unmanned Aerial Vehicle Thermal Imagery.

    PubMed

    Ma, Yalong; Wu, Xinkai; Yu, Guizhen; Xu, Yongzheng; Wang, Yunpeng

    2016-03-26

    Driven by the prominent thermal signature of humans and following the growing availability of unmanned aerial vehicles (UAVs), more and more research efforts have been focusing on the detection and tracking of pedestrians using thermal infrared images recorded from UAVs. However, pedestrian detection and tracking from the thermal images obtained from UAVs pose many challenges due to the low-resolution of imagery, platform motion, image instability and the relatively small size of the objects. This research tackles these challenges by proposing a pedestrian detection and tracking system. A two-stage blob-based approach is first developed for pedestrian detection. This approach first extracts pedestrian blobs using the regional gradient feature and geometric constraints filtering and then classifies the detected blobs by using a linear Support Vector Machine (SVM) with a hybrid descriptor, which sophisticatedly combines Histogram of Oriented Gradient (HOG) and Discrete Cosine Transform (DCT) features in order to achieve accurate detection. This research further proposes an approach for pedestrian tracking. This approach employs the feature tracker with the update of detected pedestrian location to track pedestrian objects from the registered videos and extracts the motion trajectory data. The proposed detection and tracking approaches have been evaluated by multiple different datasets, and the results illustrate the effectiveness of the proposed methods. This research is expected to significantly benefit many transportation applications, such as the multimodal traffic performance measure, pedestrian behavior study and pedestrian-vehicle crash analysis. Future work will focus on using fused thermal and visual images to further improve the detection efficiency and effectiveness.

  12. Pedestrian Detection and Tracking from Low-Resolution Unmanned Aerial Vehicle Thermal Imagery

    PubMed Central

    Ma, Yalong; Wu, Xinkai; Yu, Guizhen; Xu, Yongzheng; Wang, Yunpeng

    2016-01-01

    Driven by the prominent thermal signature of humans and following the growing availability of unmanned aerial vehicles (UAVs), more and more research efforts have been focusing on the detection and tracking of pedestrians using thermal infrared images recorded from UAVs. However, pedestrian detection and tracking from the thermal images obtained from UAVs pose many challenges due to the low-resolution of imagery, platform motion, image instability and the relatively small size of the objects. This research tackles these challenges by proposing a pedestrian detection and tracking system. A two-stage blob-based approach is first developed for pedestrian detection. This approach first extracts pedestrian blobs using the regional gradient feature and geometric constraints filtering and then classifies the detected blobs by using a linear Support Vector Machine (SVM) with a hybrid descriptor, which sophisticatedly combines Histogram of Oriented Gradient (HOG) and Discrete Cosine Transform (DCT) features in order to achieve accurate detection. This research further proposes an approach for pedestrian tracking. This approach employs the feature tracker with the update of detected pedestrian location to track pedestrian objects from the registered videos and extracts the motion trajectory data. The proposed detection and tracking approaches have been evaluated by multiple different datasets, and the results illustrate the effectiveness of the proposed methods. This research is expected to significantly benefit many transportation applications, such as the multimodal traffic performance measure, pedestrian behavior study and pedestrian-vehicle crash analysis. Future work will focus on using fused thermal and visual images to further improve the detection efficiency and effectiveness. PMID:27023564

  13. LRS2: the new facility low resolution integral field spectrograph for the Hobby-Eberly telescope

    NASA Astrophysics Data System (ADS)

    Chonis, Taylor S.; Hill, Gary J.; Lee, Hanshin; Tuttle, Sarah E.; Vattiat, Brian L.

    2014-07-01

    The second generation Low Resolution Spectrograph (LRS2) is a new facility instrument for the Hobby-Eberly Telescope (HET). Based on the design of the Visible Integral-field Replicable Unit Spectrograph (VIRUS), which is the new flagship instrument for carrying out the HET Dark Energy Experiment (HETDEX), LRS2 provides integral field spectroscopy for a seeing-limited field of 12" x 6". For LRS2, the replicable design of VIRUS has been leveraged to gain broad wavelength coverage from 370 nm to 1.0 μm, spread between two fiber-fed dual- channel spectrographs, each of which can operate as an independent instrument. The blue spectrograph, LRS2-B, covers 370 λ (nm) <= 470 and 460 <= λ (nm) <= 700 at fixed resolving powers of R = λ/δλ ≍ 1900 and 1100, respectively, while the red spectrograph, LRS2-R, covers 650 <= λ (nm) <= 842 and 818 <= λ (nm) <= 1050 with both of its channels having R ≍ 1800. In this paper, we present a detailed description of the instrument's design in which we focus on the departures from the basic VIRUS framework. The primary modifications include the fore-optics that are used to feed the fiber integral field units at unity fill-factor, the cameras' correcting optics and detectors, and the volume phase holographic grisms. We also present a model of the instrument's sensitivity and a description of specific science cases that have driven the design of LRS2, including systematically studying the spatially resolved properties of extended Lyα blobs at 2 < z < 3. LRS2 will provide a powerful spectroscopic follow-up platform for large surveys such as HETDEX.

  14. Progress in low-resolution ab initio phasing with CrowdPhase

    SciTech Connect

    Jorda, Julien; Sawaya, Michael R.; Yeates, Todd O.

    2016-03-01

    Ab initio phasing by direct computational methods in low-resolution X-ray crystallography is a long-standing challenge. A common approach is to consider it as two subproblems: sampling of phase space and identification of the correct solution. While the former is amenable to a myriad of search algorithms, devising a reliable target function for the latter problem remains an open question. Here, recent developments in CrowdPhase, a collaborative online game powered by a genetic algorithm that evolves an initial population of individuals with random genetic make-up (i.e. random phases) each expressing a phenotype in the form of an electron-density map, are presented. Success relies on the ability of human players to visually evaluate the quality of these maps and, following a Darwinian survival-of-the-fittest concept, direct the search towards optimal solutions. While an initial study demonstrated the feasibility of the approach, some important crystallographic issues were overlooked for the sake of simplicity. To address these, the new CrowdPhase includes consideration of space-group symmetry, a method for handling missing amplitudes, the use of a map correlation coefficient as a quality metric and a solvent-flattening step. Lastly, performances of this installment are discussed for two low-resolution test cases based on bona fide diffraction data.

  15. FOLD-EM: automated fold recognition in medium- and low-resolution (4–15 Å) electron density maps

    PubMed Central

    Saha, Mitul; Morais, Marc C.

    2012-01-01

    Motivation: Owing to the size and complexity of large multi-component biological assemblies, the most tractable approach to determining their atomic structure is often to fit high-resolution radiographic or nuclear magnetic resonance structures of isolated components into lower resolution electron density maps of the larger assembly obtained using cryo-electron microscopy (cryo-EM). This hybrid approach to structure determination requires that an atomic resolution structure of each component, or a suitable homolog, is available. If neither is available, then the amount of structural information regarding that component is limited by the resolution of the cryo-EM map. However, even if a suitable homolog cannot be identified using sequence analysis, a search for structural homologs should still be performed because structural homology often persists throughout evolution even when sequence homology is undetectable, As macromolecules can often be described as a collection of independently folded domains, one way of searching for structural homologs would be to systematically fit representative domain structures from a protein domain database into the medium/low resolution cryo-EM map and return the best fits. Taken together, the best fitting non-overlapping structures would constitute a ‘mosaic’ backbone model of the assembly that could aid map interpretation and illuminate biological function. Result: Using the computational principles of the Scale-Invariant Feature Transform (SIFT), we have developed FOLD-EM—a computational tool that can identify folded macromolecular domains in medium to low resolution (4–15 Å) electron density maps and return a model of the constituent polypeptides in a fully automated fashion. As a by-product, FOLD-EM can also do flexible multi-domain fitting that may provide insight into conformational changes that occur in macromolecular assemblies. Availability and implementation: FOLD-EM is available at: http

  16. Efficient simultaneous image deconvolution and upsampling algorithm for low-resolution microwave sounder data

    NASA Astrophysics Data System (ADS)

    Qin, Jing; Yanovsky, Igor; Yin, Wotao

    2015-01-01

    Microwave imaging has been widely used in the prediction and tracking of hurricanes, typhoons, and tropical storms. Due to the limitations of sensors, the acquired remote sensing data are usually blurry and have relatively low resolution, which calls for the development of fast algorithms for deblurring and enhancing the resolution. We propose an efficient algorithm for simultaneous image deconvolution and upsampling for low-resolution microwave hurricane data. Our model involves convolution, downsampling, and the total variation regularization. After reformulating the model, we are able to apply the alternating direction method of multipliers and obtain three subproblems, each of which has a closed-form solution. We also extend the framework to the multichannel case with the multichannel total variation regularization. A variety of numerical experiments on synthetic and real Advanced Microwave Sounding Unit and Microwave Humidity Sounder data were conducted. The results demonstrate the outstanding performance of the proposed method.

  17. Performance of a reconfigured atmospheric general circulation model at low resolution

    NASA Astrophysics Data System (ADS)

    Wen, Xinyu; Zhou, Tianjun; Wang, Shaowu; Wang, Bin; Wan, Hui; Li, Jian

    2007-07-01

    Paleoclimate simulations usually require model runs over a very long time. The fast integration version of a state-of-the-art general circulation model (GCM), which shares the same physical and dynamical processes but with reduced horizontal resolution and increased time step, is usually developed. In this study, we configure a fast version of an atmospheric GCM (AGCM), the Grid Atmospheric Model of IAP/LASG (Institute of Atmospheric Physics/State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics), at low resolution (GAMIL-L, hereafter), and compare the simulation results with the NCEP/NCAR reanalysis and other data to examine its performance. GAMIL-L, which is derived from the original GAMIL, is a finite difference AGCM with 72×40 grids in longitude and latitude and 26 vertical levels. To validate the simulated climatology and variability, two runs were achieved. One was a 60-year control run with fixed climatological monthly sea surface temperature (SST) forcing, and the other was a 50-yr (1950 2000) integration with observational time-varying monthly SST forcing. Comparisons between these two cases and the reanalysis, including intra-seasonal and inter-annual variability are also presented. In addition, the differences between GAMIL-L and the original version of GAMIL are also investigated. The results show that GAMIL-L can capture most of the large-scale dynamical features of the atmosphere, especially in the tropics and mid latitudes, although a few deficiencies exist, such as the underestimated Hadley cell and thereby the weak strength of the Asia summer monsoon. However, the simulated mean states over high latitudes, especially over the polar regions, are not acceptable. Apart from dynamics, the thermodynamic features mainly depend upon the physical parameterization schemes. Since the physical package of GAMIL-L is exactly the same as the original high-resolution version of GAMIL, in which the NCAR Community

  18. Evaluating low-resolution tomography neurofeedback by single dissociation of mental grotation task from stop signal task performance.

    PubMed

    Getter, Nir; Kaplan, Zeev; Todder, Doron

    2015-10-01

    Electroencephalography source localization neurofeedback, i.e Standardized low-resolution tomography (sLORETA) neurofeedback are non-invasive method for altering region specific brain activity. This is an improvement over traditional neurofeedback which were based on recordings from a single scalp-electrode. We proposed three criteria clusters as a methodological framework to evaluate electroencephalography source localization neurofeedback and present relevant data. Our objective was to evaluate standardized low resolution EEG tomography neurofeedback by examining how training one neuroanatomical area effects the mental rotation task (which is related to the activity of bilateral Parietal regions) and the stop-signal test (which is related to frontal structures). Twelve healthy participants were enrolled in a single session sLORETA neurofeedback protocol. The participants completed both the mental rotation task and the stop-signal test before and after one sLORETA neurofeedback session. During sLORETA neurofeedback sessions participants watched one sitcom episode while the picture quality co-varied with activity in the superior parietal lobule. Participants were rewarded for increasing activity in this region only. Results showed a significant reaction time decrease and an increase in accuracy after sLORETA neurofeedback on the mental rotation task but not after stop signal task. Together with behavioral changes a significant activity increase was found at the left parietal brain after sLORETA neurofeedback compared with baseline. We concluded that activity increase in the parietal region had a specific effect on the mental rotation task. Tasks unrelated to parietal brain activity were unaffected. Therefore, sLORETA neurofeedback could be used as a research, or clinical tool for cognitive disorders.

  19. (Neutron scatter studies of chromatin structure related to function)

    SciTech Connect

    Bradbury, E.M.

    1990-01-01

    This study is concerned with the application of neutron scatter techniques to the different structural states of nucleosomes and chromatin with the long term objective of understanding how the enormous lengths of DNA are folded into chromosomes. Micrococcal nuclease digestion kinetics have defined two subnucleosome particles; the chromatosome with 168 bp DNA, the histone octamer and one H1 and the nucleosome core particle with 146 bp DNA and the histone octamer. As will be discussed, the structure of the 146 bp DNA core particle is known in solution at low resolution from neutron scatter studies and in crystals. Based on this structure, the authors have a working model for the chromatosome and the mode of binding of H1. In order to define the structure of the nucleosome and also the different orders of chromatin structures they need to know the paths of DNA that link nucleosomes and the factors associated with chromosome functions that act on those DNA paths. The major region for this situation is the inherent variabilities in nucleosome DNA sequences, in the histone subtypes and their states of chemical modification and in the precise locations of nucleosomes. Such variabilities obscure the underlying principles that govern the packaging of DNA into the different structural states of nucleosomes and chromatin. The only way to elucidate these principles is to study the structures of nucleosomes and oligonucleosomes that are fully defined. They have largely achieved these objectives.

  20. Parametric vs. non-parametric statistics of low resolution electromagnetic tomography (LORETA).

    PubMed

    Thatcher, R W; North, D; Biver, C

    2005-01-01

    This study compared the relative statistical sensitivity of non-parametric and parametric statistics of 3-dimensional current sources as estimated by the EEG inverse solution Low Resolution Electromagnetic Tomography (LORETA). One would expect approximately 5% false positives (classification of a normal as abnormal) at the P < .025 level of probability (two tailed test) and approximately 1% false positives at the P < .005 level. EEG digital samples (2 second intervals sampled 128 Hz, 1 to 2 minutes eyes closed) from 43 normal adult subjects were imported into the Key Institute's LORETA program. We then used the Key Institute's cross-spectrum and the Key Institute's LORETA output files (*.lor) as the 2,394 gray matter pixel representation of 3-dimensional currents at different frequencies. The mean and standard deviation *.lor files were computed for each of the 2,394 gray matter pixels for each of the 43 subjects. Tests of Gaussianity and different transforms were computed in order to best approximate a normal distribution for each frequency and gray matter pixel. The relative sensitivity of parametric vs. non-parametric statistics were compared using a "leave-one-out" cross validation method in which individual normal subjects were withdrawn and then statistically classified as being either normal or abnormal based on the remaining subjects. Log10 transforms approximated Gaussian distribution in the range of 95% to 99% accuracy. Parametric Z score tests at P < .05 cross-validation demonstrated an average misclassification rate of approximately 4.25%, and range over the 2,394 gray matter pixels was 27.66% to 0.11%. At P < .01 parametric Z score cross-validation false positives were 0.26% and ranged from 6.65% to 0% false positives. The non-parametric Key Institute's t-max statistic at P < .05 had an average misclassification error rate of 7.64% and ranged from 43.37% to 0.04% false positives. The nonparametric t-max at P < .01 had an average misclassification rate

  1. Reconstruction of high resolution MLC leaf positions using a low resolution detector for accurate 3D dose reconstruction in IMRT

    NASA Astrophysics Data System (ADS)

    Visser, R.; Godart, J.; Wauben, D. J. L.; Langendijk, J. A.; van't Veld, A. A.; Korevaar, E. W.

    2016-12-01

    In pre-treatment dose verification, low resolution detector systems are unable to identify shifts of individual leafs of high resolution multi leaf collimator (MLC) systems from detected changes in the dose deposition. The goal of this study was to introduce an alternative approach (the shutter technique) combined with a previous described iterative reconstruction method to accurately reconstruct high resolution MLC leaf positions based on low resolution measurements. For the shutter technique, two additional radiotherapy treatment plans (RT-plans) were generated in addition to the original RT-plan; one with even MLC leafs closed for reconstructing uneven leaf positions and one with uneven MLC leafs closed for reconstructing even leaf positions. Reconstructed leaf positions were then implemented in the original RT-plan for 3D dose reconstruction. The shutter technique was evaluated for a 6 MV Elekta SLi linac with 5 mm MLC leafs (Agility™) in combination with the MatriXX Evolution detector with detector spacing of 7.62 mm. Dose reconstruction was performed with the COMPASS system (v2.0). The measurement setup allowed one row of ionization chambers to be affected by two adjacent leaf pairs. Measurements were obtained for various field sizes with MLC leaf position errors ranging from 1.0 mm to 10.0 mm. Furthermore, one clinical head and neck IMRT treatment beam with MLC introduced leaf position errors of 5.0 mm was evaluated to illustrate the impact of the shutter technique on 3D dose reconstruction. Without the shutter technique, MLC leaf position reconstruction showed reconstruction errors up to 6.0 mm. Introduction of the shutter technique allowed MLC leaf position reconstruction for the majority of leafs with sub-millimeter accuracy resulting in a reduction of dose reconstruction errors. The shutter technique in combination with the iterative reconstruction method allows high resolution MLC leaf position reconstruction using low resolution

  2. Mapping permeability in low-resolution micro-CT images: A multiscale statistical approach

    NASA Astrophysics Data System (ADS)

    Botha, Pieter W. S. K.; Sheppard, Adrian P.

    2016-06-01

    We investigate the possibility of predicting permeability in low-resolution X-ray microcomputed tomography (µCT). Lower-resolution whole core images give greater sample coverage and are therefore more representative of heterogeneous systems; however, the lower resolution causes connecting pore throats to be represented by intermediate gray scale values and limits information on pore system geometry, rendering such images inadequate for direct permeability simulation. We present an imaging and computation workflow aimed at predicting absolute permeability for sample volumes that are too large to allow direct computation. The workflow involves computing permeability from high-resolution µCT images, along with a series of rock characteristics (notably open pore fraction, pore size, and formation factor) from spatially registered low-resolution images. Multiple linear regression models correlating permeability to rock characteristics provide a means of predicting and mapping permeability variations in larger scale low-resolution images. Results show excellent agreement between permeability predictions made from 16 and 64 µm/voxel images of 25 mm diameter 80 mm tall core samples of heterogeneous sandstone for which 5 µm/voxel resolution is required to compute permeability directly. The statistical model used at the lowest resolution of 64 µm/voxel (similar to typical whole core image resolutions) includes open pore fraction and formation factor as predictor characteristics. Although binarized images at this resolution do not completely capture the pore system, we infer that these characteristics implicitly contain information about the critical fluid flow pathways. Three-dimensional permeability mapping in larger-scale lower resolution images by means of statistical predictions provides input data for subsequent permeability upscaling and the computation of effective permeability at the core scale.

  3. Automatic Extraction of DTM from Low Resolution Dsm by Twosteps Semi-Global Filtering

    NASA Astrophysics Data System (ADS)

    Zhang, Yanfeng; Zhang, Yongjun; Zhang, Yi; Li, Xin

    2016-06-01

    Automatically extracting DTM from DSM or LiDAR data by distinguishing non-ground points from ground points is an important issue. Many algorithms for this issue are developed, however, most of them are targeted at processing dense LiDAR data, and lack the ability of getting DTM from low resolution DSM. This is caused by the decrease of distinction on elevation variation between steep terrains and surface objects. In this paper, a method called two-steps semi-global filtering (TSGF) is proposed to extract DTM from low resolution DSM. Firstly, the DSM slope map is calculated and smoothed by SGF (semi-global filtering), which is then binarized and used as the mask of flat terrains. Secondly, the DSM is segmented with the restriction of the flat terrains mask. Lastly, each segment is filtered with semi-global algorithm in order to remove non-ground points, which will produce the final DTM. The first SGF is based on global distribution characteristic of large slope, which distinguishes steep terrains and flat terrains. The second SGF is used to filter non-ground points on DSM within flat terrain segments. Therefore, by two steps SGF non-ground points are removed robustly, while shape of steep terrains is kept. Experiments on DSM generated by ZY3 imagery with resolution of 10-30m demonstrate the effectiveness of the proposed method.

  4. New method of cross-range scaling of low-resolution radar

    NASA Astrophysics Data System (ADS)

    Jiang, Zhenglin; Bao, Zheng

    2000-08-01

    Due to the ordinary low resolution radar can not distinguish the radar target in both range and azimuth. If we apply the technology of inverse synthetic aperture radar (ISAR) to resolve the difference among Doppler frequency of the scatters on the target, we can obtain a fine resolution cross-range image. The cross-range scale depends on both radar wavelength and rotating angle of target relative to radar-line-of-sight (RLOS) during the coherent accumulation. The former is known while the latter is difficult to determine especially in the case of ISAR. But we must investigate the method of cross- range scaling of low-resolution radar, as it is very important to radar target classification and recognition. In this paper, a new approach is proposed which is based on the principle of interferometric inverse synthetic aperture. We can calculate the phase difference of some scatters between two instant cross-range images by two antenna which are placed on one level, adding the range between the two radar and the range of the target, and then absolute cross ranges of some dominant scatters are obtained. We apply the proposed algorithm to the emulational data of two antennae. The processing results show that the proposed method is correct and effective.

  5. Structural studies of RNA-protein complexes: A hybrid approach involving hydrodynamics, scattering, and computational methods.

    PubMed

    Patel, Trushar R; Chojnowski, Grzegorz; Astha; Koul, Amit; McKenna, Sean A; Bujnicki, Janusz M

    2016-12-08

    The diverse functional cellular roles played by ribonucleic acids (RNA) have emphasized the need to develop rapid and accurate methodologies to elucidate the relationship between the structure and function of RNA. Structural biology tools such as X-ray crystallography and Nuclear Magnetic Resonance are highly useful methods to obtain atomic-level resolution models of macromolecules. However, both methods have sample, time, and technical limitations that prevent their application to a number of macromolecules of interest. An emerging alternative to high-resolution structural techniques is to employ a hybrid approach that combines low-resolution shape information about macromolecules and their complexes from experimental hydrodynamic (e.g. analytical ultracentrifugation) and solution scattering measurements (e.g., solution X-ray or neutron scattering), with computational modeling to obtain atomic-level models. While promising, scattering methods rely on aggregation-free, monodispersed preparations and therefore the careful development of a quality control pipeline is fundamental to an unbiased and reliable structural determination. This review article describes hydrodynamic techniques that are highly valuable for homogeneity studies, scattering techniques useful to study the low-resolution shape, and strategies for computational modeling to obtain high-resolution 3D structural models of RNAs, proteins, and RNA-protein complexes.

  6. Solar Coronal Structure Study

    NASA Technical Reports Server (NTRS)

    Bruner, Marilyn E.; Saba, Julia; Strong, Keith; Nitta, Nariaki; Harvey, Karen

    1997-01-01

    The subject of this investigation is the study the physics of the solar corona through the analysis of the EUV and UV data produced by two flights (12 May 1992 and 25 April 1994) of the Lockheed Solar Plasma Diagnostics Experiment (SPDE) sounding rocket payload, in combination with Yohkoh and groundbased data. These joint datasets are useful for understanding the physical state of the solar atmosphere from the photosphere to the corona at the time of the rocket flights. Each rocket flight produced both spectral and imaging data. Highlights of this initial year of the contract included compilation, scaling and co-alignment of image sets, substantial progress on the Bright Point study, initial work on the Active Region and Large Scale Structure studies, DRSC slit-aspect determination work and calibration activities. One paper was presented at the 1997 Annual Meeting of the AAS/SPD in Bozeman, Montana. An initial set of calibrated spectra were placed into the public domain via the World Wide Web. Three Quarterly Progress Reports have been submitted; progress for the fourth quarter of the contract is summarized in this Final Contract Report. The intent of the investigation is to compare the physics of small- and medium-scale structure with that of large-scale structures with weak fields. A study has been identified in each size domain. The calibration of the rocket data forms an important element of the work. Of equal importance is the slit-aspect solution, which determines the correspondence between locations along the spectrograph slit and points on the solar disk.

  7. Study of Boundary Structures.

    DTIC Science & Technology

    1982-09-01

    THEORY OF ABC-CBA STACKING BOUNDARY IN fcc STRUCTURE .......... 11 - 4 TRANSITIONS AND PHASE EQUILIBRIA AMONG GRAIN BOUNDARY STRUCTURES...19 B THEORY OF ABC-CBA STACKING BOUNDARY IN fcc STRUCTURE .......... 37 C TRANSITIONS AND PHASE EQUILIBRIA AMONG GRAIN BOUNDARY...layer structure. 10 SECTION 3 THEORY OF ABC-CBA STACKING BOUNDARY IN fcc STRUCTURE The (111) planes of the fcc structure is stacked as ABCABC... as

  8. A model-based approach for detection of objects in low resolution passive millimeter wave images

    NASA Technical Reports Server (NTRS)

    Kasturi, Rangachar; Tang, Yuan-Liang; Devadiga, Sadashiva

    1993-01-01

    A model-based vision system to assist the pilots in landing maneuvers under restricted visibility conditions is described. The system was designed to analyze image sequences obtained from a Passive Millimeter Wave (PMMW) imaging system mounted on the aircraft to delineate runways/taxiways, buildings, and other objects on or near runways. PMMW sensors have good response in a foggy atmosphere, but their spatial resolution is very low. However, additional data such as airport model and approximate position and orientation of aircraft are available. These data are exploited to guide our model-based system to locate objects in the low resolution image and generate warning signals to alert the pilots. Also analytical expressions were derived from the accuracy of the camera position estimate obtained by detecting the position of known objects in the image.

  9. On high-resolution image estimation using low-resolution brain MRI.

    PubMed

    Rousseau, François; Gounot, Daniel; Studholme, Colin

    2013-01-01

    In the context of medical imaging, super-resolution (SR) is currently a promising post-processing technique to increase the image resolution. However, although many SR methods have been proposed in the literature, the gain of this type of approach in a real situation has not been precisely quantified. In this work, we evaluate image acquisition protocols and SR algorithms using in-vivo brain MR data as gold standard. The results show that using orthogonal image acquisition protocols lead to better reconstructed images than overlapping parallel low-resolution image stacks. Moreover, if the preprocessing steps (such as image denoising and intensity correction) are carefully performed, there is no significant differences between the evaluated SR algorithms.

  10. Compact low resolution spectrograph, an imaging and long slit spectrograph for robotic telescopes.

    PubMed

    Rabaza, O; Jelinek, M; Castro-Tirado, A J; Cunniffe, R; Zeman, J; Hudec, R; Sabau-Graziati, L; Ruedas-Sánchez, J

    2013-11-01

    The COmpact LOw REsolution Spectrograph (COLORES) is a compact and lightweight (13 kg) f/8 imaging spectrograph designed for robotic telescopes, now installed and operating on the TELMA, a rapid-slewing 60 cm telescope of the BOOTES-2 observatory in Málaga (Spain). COLORES is a multi-mode instrument that enables the observer to seamlessly switch between low-dispersion spectroscopy and direct imaging modes during an observation. In this paper, we describe the instrument and its development, from the initial scientific requirements through the optical design process to final configuration with theoretical performance calculations. The mechanical and electronic design is described, methods of calibration are discussed and early laboratory and scientific results are shown.

  11. Compact low resolution spectrograph, an imaging and long slit spectrograph for robotic telescopes

    SciTech Connect

    Rabaza, O.; Zeman, J.; Hudec, R.; Sabau-Graziati, L.

    2013-11-15

    The COmpact LOw REsolution Spectrograph (COLORES) is a compact and lightweight (13 kg) f/8 imaging spectrograph designed for robotic telescopes, now installed and operating on the TELMA, a rapid-slewing 60 cm telescope of the BOOTES-2 observatory in Málaga (Spain). COLORES is a multi-mode instrument that enables the observer to seamlessly switch between low-dispersion spectroscopy and direct imaging modes during an observation. In this paper, we describe the instrument and its development, from the initial scientific requirements through the optical design process to final configuration with theoretical performance calculations. The mechanical and electronic design is described, methods of calibration are discussed and early laboratory and scientific results are shown.

  12. Distinguishing fissions of ^239Pu and ^235U with low-resolution detectors

    NASA Astrophysics Data System (ADS)

    Swanberg, E.; Norman, E. B.; Prussin, S. G.; Shugart, H.; Browne, E.

    2008-10-01

    When ^239Pu and ^235U undergo thermal neutron-induced fission, both produce significant numbers of β-delayed gamma rays with energies in the several MeV range. Experiments using high energy-resolution germanium detectorsootnotetextR. E. Marrs et al., Nucl. Instr. & Meth. A (in press). have shown that it is possible to distinguish the fission of ^239Pu from that of ^235U. Using differences in the temporal behavior and in the shapes of the gamma-ray energy spectra, we show that these two isotopes can also be differentiated using low-resolution plastic or liquid scintillators. It is likely this method could be extended to homeland security applications, such as screening of cargo containers for ^235U and ^239Pu, using a neutron source and such scintillators.

  13. UBVJHKLM photometry and low-resolution spectroscopy of Nova Delphini 2013 (V339 Del)

    NASA Astrophysics Data System (ADS)

    Burlak, M. A.; Esipov, V. F.; Komissarova, G. V.; Shenavrin, V. I.; Taranova, O. G.; Tatarnikov, A. M.; Tatarnikova, A. A.

    We present UBVJHKLM photometric observations of Nova Delphini 2013 that started several hours before maximum light and lasted for 130 nights. Using the obtained data, we derived several photometric parameters of the Nova: the time of maximum light, brightness at maximum, rate of decline, t2=11 d. This places Nova Del 2013 among fast novae according to the classification introduced by Payne-Gaposchkin. We estimated the interstellar reddening E(B-V) = 0.18 using maps of Galactic extinction and the absolute brightness in maximum light via the MMRD relation that allowed us to determine the distance D≈ 2.7 kpc and height above the Galactic plane z≈ 440 pc. Low-resolution spectroscopy shows that Nova Del 2013 belongs to the Fe II spectral type of novae. The broad emission feature near 6825 Å observed during 2013 August and September may be the Raman-scattered O VI 1032 Å line.

  14. Low-Resolution Near-infrared Stellar Spectra Observed by the Cosmic Infrared Background Experiment (CIBER)

    NASA Astrophysics Data System (ADS)

    Kim, Min Gyu; Lee, Hyung Mok; Arai, Toshiaki; Bock, James; Cooray, Asantha; Jeong, Woong-Seob; Kim, Seong Jin; Korngut, Phillip; Lanz, Alicia; Lee, Dae Hee; Lee, Myung Gyoon; Matsumoto, Toshio; Matsuura, Shuji; Nam, Uk Won; Onishi, Yosuke; Shirahata, Mai; Smidt, Joseph; Tsumura, Kohji; Yamamura, Issei; Zemcov, Michael

    2017-02-01

    We present near-infrared (0.8–1.8 μm) spectra of 105 bright ({m}J < 10) stars observed with the low-resolution spectrometer on the rocket-borne Cosmic Infrared Background Experiment. As our observations are performed above the Earth's atmosphere, our spectra are free from telluric contamination, which makes them a unique resource for near-infrared spectral calibration. Two-Micron All-Sky Survey photometry information is used to identify cross-matched stars after reduction and extraction of the spectra. We identify the spectral types of the observed stars by comparing them with spectral templates from the Infrared Telescope Facility library. All the observed spectra are consistent with late F to M stellar spectral types, and we identify various infrared absorption lines.

  15. Low Resolution Picture Transmission (LRPT) Demonstration System. Phase II; 1.0

    NASA Technical Reports Server (NTRS)

    Fong, Wai; Yeh, Pen-Shu; Duran, Steve; Sank, Victor; Nyugen, Xuan; Xia, Wei; Day, John H. (Technical Monitor)

    2002-01-01

    Low-Resolution Picture Transmission (LRPT) is a proposed standard for direct broadcast transmission of satellite weather images. This standard is a joint effort by the European Organization for the Exploitation of Meteorological Satellites (EUMETSAT) and NOAA. As a digital transmission scheme, its purpose is to replace the current analog Automatic Picture Transmission (APT) system for use in the Meteorological Operational (METOP) satellites. GSFC has been tasked to build an LRPT Demonstration System (LDS). Its main objective is to develop or demonstrate the feasibility of a low-cost receiver utilizing a PC as the primary processing component and determine the performance of the protocol in the simulated Radio Frequency (RF) environment. The approach would consist of two phases.

  16. Crosswalk localization from low resolution satellite images to assist visually impaired people.

    PubMed

    Ghilardi, Marcelo; Junior, Julio; Manssour, Isabel

    2016-05-25

    In this paper we propose a model for crosswalk detection and localization by using satellite images captured from Google Maps, for the purpose of assisting visually impaired people. The detection is performed by a SVM classifier, which is combined with Google Road Map to speed up computation time and to eliminate some possible false alarms. We assume that a visually impaired person holds a smartphone with an embedded GPS, which is used to initialize the extraction of images from Google Maps, as well as to assist its user by providing audio feedback of the nearest detected crosswalk. This issue brings forward significant interest and it is also very challenging, mainly due to illumination changes, occlusion, image noise and resolution, besides the quality of crosswalks that sometimes are badly painted in many developing countries. Experimental results indicate that the proposed model works well in low resolution images, effectively detecting and localizing crosswalks in simulated scenarios.

  17. Characterizing the CARMENES input catalogue of M dwarfs with low-resolution spectroscopy: metallicity

    NASA Astrophysics Data System (ADS)

    Alonso-Floriano, F. J.; Montes, D.; Tabernero, H. M.; Caballero, J. A.; González-Peinado, R.; Cortés-Contreras, M.; Llamas, M.; González-Hernández, J. I.; Klutsch, A.; Morales, J. C.; Mundt, R.; Jeffers, S. V.; Quirrenbach, A.; Amado, P. J.; Ribas, I.; Reiners, A.; Seifert, W.; CARMENES Consortium

    2017-03-01

    In this contribution we summarise our science preparation activities to complete the CARMENES (http://carmenes.caha.es/) input catalogue of M dwarfs using low-resolution spectroscopy to derive spectral indices sensible to spectral type, gravity and metallicity as well as the level of chromospheric activity. We provide here all this information for 181 stars in addition to the 727 stars already published in Alonso-Floriano et al. (2015). We have developed a calibration of the M-dwarfs metallicity (Alonso-Floriano et al. 2016) using physical binaries composed of an F-, G- or K-dwarf primary and an M-dwarf secondary that allows us to provide the metallicity for all these M dwarfs.

  18. From lows to highs: using low-resolution models to phase X-ray data

    SciTech Connect

    Stuart, David I.; Abrescia, Nicola G. A.

    2013-11-01

    An unusual example of how virus structure determination pushes the limits of the molecular replacement method is presented. The study of virus structures has contributed to methodological advances in structural biology that are generally applicable (molecular replacement and noncrystallographic symmetry are just two of the best known examples). Moreover, structural virology has been instrumental in forging the more general concept of exploiting phase information derived from multiple structural techniques. This hybridization of structural methods, primarily electron microscopy (EM) and X-ray crystallography, but also small-angle X-ray scattering (SAXS) and nuclear magnetic resonance (NMR) spectroscopy, is central to integrative structural biology. Here, the interplay of X-ray crystallography and EM is illustrated through the example of the structural determination of the marine lipid-containing bacteriophage PM2. Molecular replacement starting from an ∼13 Å cryo-EM reconstruction, followed by cycling density averaging, phase extension and solvent flattening, gave the X-ray structure of the intact virus at 7 Å resolution This in turn served as a bridge to phase, to 2.5 Å resolution, data from twinned crystals of the major coat protein (P2), ultimately yielding a quasi-atomic model of the particle, which provided significant insights into virus evolution and viral membrane biogenesis.

  19. Real-time person detection in low-resolution thermal infrared imagery with MSER and CNNs

    NASA Astrophysics Data System (ADS)

    Herrmann, Christian; Müller, Thomas; Willersinn, Dieter; Beyerer, Jürgen

    2016-10-01

    In many camera-based systems, person detection and localization is an important step for safety and security applications such as search and rescue, reconnaissance, surveillance, or driver assistance. Long-wave infrared (LWIR) imagery promises to simplify this task because it is less affected by background clutter or illumination changes. In contrast to a lot of related work, we make no assumptions about any movement of persons or the camera, i.e. persons may stand still and the camera may move or any combination thereof. Furthermore, persons may appear arbitrarily in near or far distances to the camera leading to low-resolution persons in far distances. To address this task, we propose a two-stage system, including a proposal generation method and a classifier to verify, if the detected proposals really are persons. In contradiction to use all possible proposals as with sliding window approaches, we apply Maximally Stable Extremal Regions (MSER) and classify the detected proposals afterwards with a Convolutional Neural Network (CNN). The MSER algorithm acts as a hot spot detector when applied to LWIR imagery. Because the body temperature of persons is usually higher than the background, they appear as hot spots in the image. However, the MSER algorithm is unable to distinguish between different kinds of hot spots. Thus, all further LWIR sources such as windows, animals or vehicles will be detected, too. Still by applying MSER, the number of proposals is reduced significantly in comparison to a sliding window approach which allows employing the high discriminative capabilities of deep neural networks classifiers that were recently shown in several applications such as face recognition or image content classification. We suggest using a CNN as classifier for the detected hot spots and train it to discriminate between person hot spots and all further hot spots. We specifically design a CNN that is suitable for the low-resolution person hot spots that are common with

  20. Solar Coronal Structure Study

    NASA Technical Reports Server (NTRS)

    Nitta, Nariaki; Bruner, Marilyn E.; Saba, Julia; Strong, Keith; Harvey, Karen

    2000-01-01

    The subject of this investigation is to study the physics of the solar corona through the analysis of the EUV and UV data produced by two flights (12 May 1992 and 25 April 1994) of the Lockheed Solar Plasma Diagnostics Experiment (SPDE) sounding rocket payload, in combination with Yohkoh and ground-based data. Each rocket flight produced both spectral and imaging data. These joint datasets are useful for understanding the physical state of various features in the solar atmosphere at different heights ranging from the photosphere to the corona at the time of the, rocket flights, which took place during the declining phase of a solar cycle, 2-4 years before the minimum. The investigation is narrowly focused on comparing the physics of small- and medium-scale strong-field structures with that of large-scale, weak fields. As we close th is investigation, we have to recall that our present position in the understanding of basic solar physics problems (such as coronal heating) is much different from that in 1995 (when we proposed this investigation), due largely to the great success of SOHO and TRACE. In other words, several topics and techniques we proposed can now be better realized with data from these missions. For this reason, at some point of our work, we started concentrating on the 1992 data, which are more unique and have more supporting data. As a result, we discontinued the investigation on small-scale structures, i.e., bright points, since high-resolution TRACE images have addressed more important physics than SPDE EUV images could do. In the final year, we still spent long time calibrating the 1992 data. The work was complicated because of the old-fashioned film, which had problems not encountered with more modern CCD detectors. After our considerable effort on calibration, we were able to focus on several scientific topics, relying heavily on the SPDE UV images. They include the relation between filaments and filament channels, the identification of hot

  1. Dimeric arrangement and structure of the membrane-bound acetylcholine receptor studied by electron microscopy.

    PubMed Central

    Zingsheim, H P; Neugebauer, D C; Frank, J; Hänicke, W; Barrantes, F J

    1982-01-01

    The acetylcholine receptor protein (AChR) from the electric organ of Torpedo marmorata is studied in its membrane-bound form by electron microscopy and single-particle image averaging. About half the molecule protrudes from the membrane surface by approximately 5 nm. The low-resolution 3-D structure of this hydrated portion, including its handedness, can be deduced from averaged axial and lateral projections and from freeze-etched membrane surfaces. In native membrane fragments, a dimeric form of the AChR is observed and the relative orientation of the AChR monomers within the dimer is established. The dimers disappear upon disulfide reduction of the membrane preparations, whereas the average axial projections of the AChR monomer remain unaffected. Since the existence of disulfide bonds linking AChR monomers between their respective delta-subunits is well documented, the approximate position of the delta-subunit within the low-resolution structure of the AChR molecule can be deduced from the structure of the dimers. Images Fig. 1. Fig. 2. Fig. 3. PMID:7188351

  2. Improved EEG source analysis using low-resolution conductivity estimation in a four-compartment finite element head model.

    PubMed

    Lew, Seok; Wolters, Carsten H; Anwander, Alfred; Makeig, Scott; MacLeod, Rob S

    2009-09-01

    Bioelectric source analysis in the human brain from scalp electroencephalography (EEG) signals is sensitive to geometry and conductivity properties of the different head tissues. We propose a low-resolution conductivity estimation (LRCE) method using simulated annealing optimization on high-resolution finite element models that individually optimizes a realistically shaped four-layer volume conductor with regard to the brain and skull compartment conductivities. As input data, the method needs T1- and PD-weighted magnetic resonance images for an improved modeling of the skull and the cerebrospinal fluid compartment and evoked potential data with high signal-to-noise ratio (SNR). Our simulation studies showed that for EEG data with realistic SNR, the LRCE method was able to simultaneously reconstruct both the brain and the skull conductivity together with the underlying dipole source and provided an improved source analysis result. We have also demonstrated the feasibility and applicability of the new method to simultaneously estimate brain and skull conductivity and a somatosensory source from measured tactile somatosensory-evoked potentials of a human subject. Our results show the viability of an approach that computes its own conductivity values and thus reduces the dependence on assigning values from the literature and likely produces a more robust estimate of current sources. Using the LRCE method, the individually optimized four-compartment volume conductor model can, in a second step, be used for the analysis of clinical or cognitive data acquired from the same subject.

  3. Towards a method to differentiate chronic disorder of consciousness patients' awareness: The Low-Resolution Brain Electromagnetic Tomography Analysis.

    PubMed

    Naro, Antonino; Bramanti, Placido; Leo, Antonino; Cacciola, Alberto; Bramanti, Alessia; Manuli, Alfredo; Calabrò, Rocco Salvatore

    2016-09-15

    Assessing residual signs of awareness in patients suffering from chronic disorders of consciousness (DOC) is a challenging issue. DOC patient behavioral assessment is often doubtful since some individuals may retain covert traces of awareness; thus, some Unresponsive Wakefulness Syndrome (UWS) patients may be misdiagnosed. The aim of our study was to explore possible differences between the source powers within poly-modal cortices to differentiate Minimally Conscious State (MCS) from UWS. To this end, we recorded an electroencephalogram (EEG) during awake resting state and performed a Low-Resolution Brain Electromagnetic Tomography (LORETA), which is a 3D source localization method allowing the visualization of the most probable neuroanatomical generators of EEG differences. MCS and UWS patients showed significant variations concerning the frontal source power of delta-band, frontal and parietal of theta, parietal and occipital of alpha, central of beta, and parietal of gamma, in correlation with the Coma Recovery Scale-Revised (CRS-R) score. The alpha-band was the most significant LORETA data correlating with the consciousness level. In addition, we observed a significant correlation between central beta-peaks and the motor abilities and a dissociation between theta and gamma bands within parietal regions. Our findings suggest that LORETA analysis may be useful in DOC differential diagnosis since distinct neurophysiological correlates in some UWS patients could be used to assess deeper the residual cerebral activity of brain areas responsible for covert awareness.

  4. Low resolution 1H NMR assignment of proton populations in pound cake and its polymeric ingredients.

    PubMed

    Luyts, A; Wilderjans, E; Waterschoot, J; Van Haesendonck, I; Brijs, K; Courtin, C M; Hills, B; Delcour, J A

    2013-08-15

    Based on a model system approach, five different proton populations were distinguished in pound cake crumb using one dimensional low resolution (1)H NMR spectroscopy. In free induction decay (FID) measurements, proton populations were assigned to (i) non-exchanging CH protons of crystalline starch, proteins and crystalline fat and (ii) non-exchanging CH protons of amorphous starch and gluten, which are in little contact with water. In Carr-Purcell-Meiboom-Gill (CPMG) measurements, three proton populations were distinguished. The CPMG population with the lowest mobility and the FID population with the highest mobility represent the same proton population. The two CPMG proton populations with the highest mobility were assigned to exchanging protons (i.e., protons of water, starch, gluten, egg proteins and sugar) and protons of lipids (i.e., protons of egg yolk lipids and amorphous lipid fraction of margarine) respectively. Based on their spin-lattice relaxation times (T1), two dimensional (1)H NMR spectroscopy further resolved the two proton populations with the highest mobility into three and two proton populations, respectively.

  5. HUNTING THE PARENT OF THE ORPHAN STREAM: IDENTIFYING STREAM MEMBERS FROM LOW-RESOLUTION SPECTROSCOPY

    SciTech Connect

    Casey, Andrew R.; Da Costa, Gary; Keller, Stefan C.; Maunder, Elizabeth

    2013-02-10

    We present candidate K-giant members in the Orphan Stream that have been identified from low-resolution data taken with the AAOmega spectrograph on the Anglo-Australian Telescope. From modest signal-to-noise spectra and independent cuts in photometry, kinematics, gravity, and metallicity we yield self-consistent, highly probable stream members. We find a revised stream distance of 22.5 {+-} 2.0 kpc near the celestial equator and our kinematic signature peaks at V {sub GSR} = 82.1 {+-} 1.4 km s{sup -1}. The observed velocity dispersion of our most probable members is consistent with arising from the velocity uncertainties alone. This indicates that at least along this line of sight, the Orphan Stream is kinematically cold. Our data indicate an overall stream metallicity of [Fe/H] = -1.63 {+-} 0.19 dex which is more metal-rich than previously found and unbiased by spectral type. Furthermore, the significant metallicity dispersion displayed by our most probable members, {sigma}([Fe/H]) = 0.56 dex, suggests that the unidentified Orphan Stream parent is a dSph satellite. We highlight likely members for high-resolution spectroscopic follow-up.

  6. A distributed automatic target recognition system using multiple low resolution sensors

    NASA Astrophysics Data System (ADS)

    Yue, Zhanfeng; Lakshmi Narasimha, Pramod; Topiwala, Pankaj

    2008-04-01

    In this paper, we propose a multi-agent system which uses swarming techniques to perform high accuracy Automatic Target Recognition (ATR) in a distributed manner. The proposed system can co-operatively share the information from low-resolution images of different looks and use this information to perform high accuracy ATR. An advanced, multiple-agent Unmanned Aerial Vehicle (UAV) systems-based approach is proposed which integrates the processing capabilities, combines detection reporting with live video exchange, and swarm behavior modalities that dramatically surpass individual sensor system performance levels. We employ real-time block-based motion analysis and compensation scheme for efficient estimation and correction of camera jitter, global motion of the camera/scene and the effects of atmospheric turbulence. Our optimized Partition Weighted Sum (PWS) approach requires only bitshifts and additions, yet achieves a stunning 16X pixel resolution enhancement, which is moreover parallizable. We develop advanced, adaptive particle-filtering based algorithms to robustly track multiple mobile targets by adaptively changing the appearance model of the selected targets. The collaborative ATR system utilizes the homographies between the sensors induced by the ground plane to overlap the local observation with the received images from other UAVs. The motion of the UAVs distorts estimated homography frame to frame. A robust dynamic homography estimation algorithm is proposed to address this, by using the homography decomposition and the ground plane surface estimation.

  7. Gold nanoparticle fluorescent molecular beacon for low-resolution DQ2 gene HLA typing.

    PubMed

    Beni, Valerio; Zewdu, Taye; Joda, Hamdi; Katakis, Ioanis; O'Sullivan, Ciara K

    2012-01-01

    Coeliac disease is an inflammation of the small intestine triggered by gluten ingestion. We present a fluorescent genosensor, exploiting molecular-beacon-functionalized gold nanoparticles, for the identification of human leukocyte antigen (HLA) DQ2 gene, a key genetic factor in coeliac disease. Optimization of sensor performance was achieved by tuning the composition of the oligonucleotide monolayer immobilized on the gold nanoparticle and the molecular beacon design. Co-immobilization of the molecular beacon with a spacing oligonucleotide (thiolated ten-thymine oligonucleotide) in the presence of ten-adenine oligonucleotides resulted in a significant increase of the sensor response owing to improved spacing of the molecular beacons and extension of the distance from the nanoparticle surface, which renders them more available for recognition. Further increase in the response (approximately 40%) was shown to be achievable when the recognition sequence of the molecular beacon was incorporated in the stem. Improvement of the specificity of the molecular beacons was also achieved by the incorporation within their recognition sequence of a one-base mismatch. Finally, gold nanoparticles functionalized with two molecular beacons targeting the DQA1*05* and DQB1*02* alleles allowed the low-resolution typing of the DQ2 gene at the nanomolar level.

  8. High-resolution land cover classification using low resolution global data

    NASA Astrophysics Data System (ADS)

    Carlotto, Mark J.

    2013-05-01

    A fusion approach is described that combines texture features from high-resolution panchromatic imagery with land cover statistics derived from co-registered low-resolution global databases to obtain high-resolution land cover maps. The method does not require training data or any human intervention. We use an MxN Gabor filter bank consisting of M=16 oriented bandpass filters (0-180°) at N resolutions (3-24 meters/pixel). The size range of these spatial filters is consistent with the typical scale of manmade objects and patterns of cultural activity in imagery. Clustering reduces the complexity of the data by combining pixels that have similar texture into clusters (regions). Texture classification assigns a vector of class likelihoods to each cluster based on its textural properties. Classification is unsupervised and accomplished using a bank of texture anomaly detectors. Class likelihoods are modulated by land cover statistics derived from lower resolution global data over the scene. Preliminary results from a number of Quickbird scenes show our approach is able to classify general land cover features such as roads, built up area, forests, open areas, and bodies of water over a wide range of scenes.

  9. High-resolution iris image reconstruction from low-resolution imagery

    NASA Astrophysics Data System (ADS)

    Barnard, R.; Pauca, V. P.; Torgersen, T. C.; Plemmons, R. J.; Prasad, S.; van der Gracht, J.; Nagy, J.; Chung, J.; Behrmann, G.; Mathews, S.; Mirotznik, M.

    2006-08-01

    We investigate the use of a novel multi-lens imaging system in the context of biometric identification, and more specifically, for iris recognition. Multi-lenslet cameras offer a number of significant advantages over standard single-lens camera systems, including thin form-factor and wide angle of view. By using appropriate lenslet spacing relative to the detector pixel pitch, the resulting ensemble of images implicitly contains subject information at higher spatial frequencies than those present in a single image. Additionally, a multi-lenslet approach enables the use of observational diversity, including phase, polarization, neutral density, and wavelength diversities. For example, post-processing multiple observations taken with differing neutral density filters yields an image having an extended dynamic range. Our research group has developed several multi-lens camera prototypes for the investigation of such diversities. In this paper, we present techniques for computing a high-resolution reconstructed image from an ensemble of low-resolution images containing sub-pixel level displacements. The quality of a reconstructed image is measured by computing the Hamming distance between the Daugman 4 iris code of a conventional reference iris image, and the iris code of a corresponding reconstructed image. We present numerical results concerning the effect of noise and defocus blur in the reconstruction process using simulated data and report preliminary work on the reconstruction of actual iris data obtained with our camera prototypes.

  10. Topographic Phase Recovery from Stacked ERS Interferometry and a Low-Resolution Digital Elevation Model

    NASA Technical Reports Server (NTRS)

    Sandwell, David T.; Sichoix, Lydie; Frey, Herbert V. (Technical Monitor)

    2000-01-01

    A hybrid approach to topographic recovery from ERS interferometry is developed and assessed. Tropospheric/ionospheric artifacts, imprecise orbital information, and layover are key issues in recovering topography and surface deformation from repeat-pass interferometry. Previously, we developed a phase gradient approach to stacking interferograms to reduce these errors and also to reduce the short-wavelength phase noise (see Sandwell arid Price [1998] and Appendix A). Here the method is extended to use a low-resolution digital elevation model to constrain long-wavelength phase errors and an iteration scheme to minimize errors in the computation of phase gradient. We demonstrate the topographic phase recovery on 16-m postings using 25 ERS synthetic aperture radar images from an area of southern California containing 2700 m of relief. On the basis of a comparison with 81 GPS monuments, the ERS derived topography has a typical absolute accuracy of better than 10 m except in areas of layover. The resulting topographic phase enables accurate two-pass, real-time interferometry even in mountainous areas where traditional phase unwrapping schemes fail. As an example, we form a topography-free (127-m perpendicular baseline) interferogram spanning 7.5 years; fringes from two major earthquakes and a seismic slip on the San Andreas Fault are clearly isolated.

  11. Behavior analysis for elderly care using a network of low-resolution visual sensors

    NASA Astrophysics Data System (ADS)

    Eldib, Mohamed; Deboeverie, Francis; Philips, Wilfried; Aghajan, Hamid

    2016-07-01

    Recent advancements in visual sensor technologies have made behavior analysis practical for in-home monitoring systems. The current in-home monitoring systems face several challenges: (1) visual sensor calibration is a difficult task and not practical in real-life because of the need for recalibration when the visual sensors are moved accidentally by a caregiver or the senior citizen, (2) privacy concerns, and (3) the high hardware installation cost. We propose to use a network of cheap low-resolution visual sensors (30×30 pixels) for long-term behavior analysis. The behavior analysis starts by visual feature selection based on foreground/background detection to track the motion level in each visual sensor. Then a hidden Markov model (HMM) is used to estimate the user's locations without calibration. Finally, an activity discovery approach is proposed using spatial and temporal contexts. We performed experiments on 10 months of real-life data. We show that the HMM approach outperforms the k-nearest neighbor classifier against ground truth for 30 days. Our framework is able to discover 13 activities of daily livings (ADL parameters). More specifically, we analyze mobility patterns and some of the key ADL parameters to detect increasing or decreasing health conditions.

  12. The power of low-resolution spectroscopy: On the spectral classification of planet candidates in the ground-based CoRoT follow-up

    NASA Astrophysics Data System (ADS)

    Ammler-von Eiff, M.; Sebastian, D.; Guenther, E. W.; Stecklum, B.; Cabrera, J.

    2015-02-01

    Planetary transits detected by the CoRoT mission can be mimicked by a low-mass star in orbit around a giant star. Spectral classification helps to identify the giant stars and also early-type stars which are often excluded from further follow-up. We study the potential and the limitations of low-resolution spectroscopy to improve the photometric spectral types of CoRoT candidates. In particular, we want to study the influence of the signal-to-noise ratio (SNR) of the target spectrum in a quantitative way. We built an own template library and investigate whether a template library from the literature is able to reproduce the classifications. Including previous photometric estimates, we show how the additional spectroscopic information improves the constraints on spectral type. Low-resolution spectroscopy (R≈ 1000) of 42 CoRoT targets covering a wide range in SNR (1-437) and of 149 templates was obtained in 2012-2013 with the Nasmyth spectrograph at the Tautenburg 2 m telescope. Spectral types have been derived automatically by comparing with the observed template spectra. The classification has been repeated with the external CFLIB library. The spectral class obtained with the external library agrees within a few sub-classes when the target spectrum has a SNR of about 100 at least. While the photometric spectral type can deviate by an entire spectral class, the photometric luminosity classification is as close as a spectroscopic classification with the external library. A low SNR of the target spectrum limits the attainable accuracy of classification more strongly than the use of external templates or photometry. Furthermore we found that low-resolution reconnaissance spectroscopy ensures that good planet candidates are kept that would otherwise be discarded based on photometric spectral type alone.

  13. Cell Structure Study.

    ERIC Educational Resources Information Center

    Ekstrom, James V.

    2000-01-01

    Presents an activity in which students use microscopes and digital images to examine Elodea, a fresh water plant, before and after the process of plasmolysis, identify plant cellular structures before and after plasmolysis, and calculate the size of the plant's vacuole. (ASK)

  14. Structural studies of intercalants

    SciTech Connect

    Hastings, J.B.

    1981-01-01

    The structure of stage 2 potassium intercalated graphite, KC/sub 24/, is discussed in both the ordered and disordered phases. A one-dimensional model is used to illustrate the qualitative features of the KC/sub 24/ diffraction patterns.

  15. Classification of Volcanic Eruptions on Io and Earth Using Low-Resolution Remote Sensing Data

    NASA Technical Reports Server (NTRS)

    Davies, A. G.; Keszthelyi, L. P.

    2005-01-01

    Two bodies in the Solar System exhibit high-temperature active volcanism: Earth and Io. While there are important differences in the eruptions on Earth and Io, in low-spatial-resolution data (corresponding to the bulk of available and foreseeable data of Io), similar styles of effusive and explosive volcanism yield similar thermal flux densities. For example, a square metre of an active pahoehoe flow on Io looks very similar to a square metre of an active pahoehoe flow on Earth. If, from observed thermal emission as a function of wavelength and change in thermal emission with time, the eruption style of an ionian volcano can be constrained, estimates of volumetric fluxes can be made and compared with terrestrial volcanoes using techniques derived for analysing terrestrial remotely-sensed data. In this way we find that ionian volcanoes fundamentally differ from their terrestrial counterparts only in areal extent, with Io volcanoes covering larger areas, with higher volumetric flux. Io outbursts eruptions have enormous implied volumetric fluxes, and may scale with terrestrial flood basalt eruptions. Even with the low-spatial resolution data available it is possible to sometimes constrain and classify eruption style both on Io and Earth from the integrated thermal emission spectrum. Plotting 2 and 5 m fluxes reveals the evolution of individual eruptions of different styles, as well as the relative intensity of eruptions, allowing comparison to be made from individual eruptions on both planets. Analyses like this can be used for interpretation of low-resolution data until the next mission to the jovian system. For a number of Io volcanoes (including Pele, Prometheus, Amirani, Zamama, Culann, Tohil and Tvashtar) we do have high/moderate resolution imagery to aid determination of eruption mode from analyses based only on low spatial-resolution data.

  16. A Low-Resolution Spectroscopic Exploration of Puzzling OGLE Variable Stars

    NASA Astrophysics Data System (ADS)

    Pietrukowicz, P.; Latour, M.; Angeloni, R.; di Mille, F.; Soszyński, I.; Udalski, A.; Germanà, C.

    2015-03-01

    We present the results of a spectroscopic follow-up of various puzzling variable objects detected in the OGLE-III Galactic disk and bulge fields. The sample includes mainly short-period multi-mode pulsating stars that could not have been unambiguously classified as either δ Sct or β Cep type stars based on photometric data only, also stars with irregular fluctuations mimicking cataclysmic variables and stars with dusty shells, and periodic variables displaying brightenings in their light curves that last for more than half of the period. The obtained low-resolution spectra show that all observed short-period pulsators are of δ Sct type, the stars with irregular fluctuations are young stellar objects, and the objects with regular brightenings are A type stars or very likely Ap stars with strong magnetic field responsible for the presence of bright caps around magnetic poles on their surface. We also took spectra of objects designated OGLE-GD-DSCT-0058 and OGLE-GD-CEP-0013. An estimated effective temperature of 33 000 K in OGLE-GD-DSCT-0058 indicates that it cannot be a δ Sct type variable. This very short-period (0.01962 d) high-amplitude (0.24 mag in the I-band) object remains a mystery. It may represent a new class of variable stars. The spectrum of OGLE-GD-CEP-0013 confirms that this is a classical Cepheid despite a peculiar shape of its light curve. The presented results will help in proper classification of variable objects in the OGLE Galaxy Variability Survey.

  17. RESEARCH PAPER: Automated estimation of stellar fundamental parameters from low resolution spectra: the PLS method

    NASA Astrophysics Data System (ADS)

    Zhang, Jian-Nan; Luo, A.-Li; Zhao, Yong-Heng

    2009-06-01

    PLS (Partial Least Squares regression) is introduced into an automatic estimation of fundamental stellar spectral parameters. It extracts the most correlative spectral component to the parameters (Teff, log g and [Fe/H]), and sets up a linear regression function from spectra to the corresponding parameters. Considering the properties of stellar spectra and the PLS algorithm, we present a piecewise PLS regression method for estimation of stellar parameters, which is composed of one PLS model for Teff, and seven PLS models for log g and [Fe/H] estimation. Its performance is investigated by large experiments on flux calibrated spectra and continuum normalized spectra at different signal-to-noise ratios (SNRs) and resolutions. The results show that the piecewise PLS method is robust for spectra at the medium resolution of 0.23 nm. For low resolution 0.5 nm and 1 nm spectra, it achieves competitive results at higher SNR. Experiments using ELODIE spectra of 0.23 nm resolution illustrate that our piecewise PLS models trained with MILES spectra are efficient for O ~ G stars: for flux calibrated spectra, the systematic offsets are 3.8%, 0.14 dex, and -0.09 dex for Teff, log g and [Fe/H], with error scatters of 5.2%, 0.44 dex and 0.38 dex, respectively; for continuum normalized spectra, the systematic offsets are 3.8%, 0.12dex, and -0.13dex for Teff, log g and [Fe/H], with error scatters of 5.2%, 0.49 dex and 0.41 dex, respectively. The PLS method is rapid, easy to use and does not rely as strongly on the tightness of a parameter grid of templates to reach high precision as Artificial Neural Networks or minimum distance methods do.

  18. Low-resolution continuum source simultaneous multi-element electrothermal atomic absorption spectrometry: steps into practice

    NASA Astrophysics Data System (ADS)

    Katskov, Dmitri

    2015-03-01

    The theory and practical problems of continuum source simultaneous multi-element electrothermal atomic absorption spectrometry (SMET AAS) are discussed by the example of direct analysis of underground water. The experimental methodology is based on pulse vaporization of the sample in a fast heated graphite tube and measurement of transient absorption of continuum spectrum radiation from D2 and Xe lamps within 200-400 nm wavelengths range with a low resolution spectral instrument and linear charge-coupled device. The setup permits the acquisition of 200 spectra during 1 s atomization pulse. Respective data matrix absorbance vs wavelength/time is employed for the quantification of elements in the sample. The calculation algorithm developed includes broad band and continuum background correction, linearization of function absorbance vs. concentration of atomic vapor and integration of thus modified absorbance at the resonance lines of the elements to be determined. Practical application shows that the method can be employed for the direct simultaneous determination of about 20 elements above microgram per liter level within 3-5 orders of the magnitude concentration range. The investigated sources of measurement errors are mainly associated with the atomization and vapor transportation problems, which are aggravated for the simultaneous release of major and minor sample constituents. Respective corrections concerning the selection of analytical lines, optimal sampling volume, matrix modification and cleaning of the atomizer have been introduced in the SMET AAS analytical technology. Under the optimized experimental conditions the calibration curves in Log-Log coordinates for all the investigated analytes in the single or multi-element reference solutions are approximated by the first order equations. The use of these equations as permanent characteristics of the setup enables instant quantification of Al, Ca, Co, Cr, Cu, Fe, Mg, Mn and Ni in the underground water

  19. Structural studies on resids

    SciTech Connect

    Strausz, O.P. . Dept. of Chemistry)

    1988-01-01

    Investigations aimed at elucidating structural elements in Alberta oil and asphaltenes and heavy ends have yielded important and unforeseen results. Athabasca asphaltene has been separated into five different molecular weight fractions, each of which was analyzed by high-resolution /sup 1/H and /sup 13/C NMR spectroscopy. In all these fractions, as well as in the whole asphaltene, the aliphatic and aromatic carbon and hydrogen types were determined quantitatively, from which it was concluded that there exists a large network of straight-chain aliphatic side chains and bridging units. Only 43% of the asphaltene is aromatic and the average n-alkyl chain length is 9. Further insights into the aspahaltene structure were obtained using the Ru(VIII)-catalyzed oxidation technique. This reagent selectively and quantitatively oxidizes aromatic carbons to CO/sub 2/ while converting side chains to alkanoic acids, alkyl bridging units to {alpha}, {omega}-dicarboxylic acids, and di- and triaromatic moieties to benzene polycarboxylic acids. In this way the authors were able to determine, quantitatively, the extents and concentration distributions of the numerous n-alkyl side chains and bridging units connected to aromatic nuclei, and of the aromatic clusters. Examination of the aromatic-free oxidized residue gave further information on the alkyl substituents attached to saturated, cyclic systems. A schematic model of the gross structural features of the asphaltene is presented. A brief overview of the heterocyclic compound classes identified in the asphaltene and maltene fractions of the bitumen is presented. The nature and concentration distributions of the carboxylic acids, sulfides and thiophenes in the two fractions are different and possible explanations for these observations are discussed.

  20. Multi-crystal Anomalous Diffraction for Low-resolution Macromolecular Phasing

    SciTech Connect

    Q Liu; Z Zhang; W Hendrickson

    2011-12-31

    Multiwavelength anomalous diffraction (MAD) and single-wavelength anomalous diffraction (SAD) are the two most commonly used methods for de novo determination of macromolecular structures. Both methods rely on the accurate extraction of anomalous signals; however, because of factors such as poor intrinsic order, radiation damage, inadequate anomalous scatterers, poor diffraction quality and other noise-causing factors, the anomalous signal from a single crystal is not always good enough for structure solution. In this study, procedures for extracting more accurate anomalous signals by merging data from multiple crystals are devised and tested. SAD phasing tests were made with a relatively large (1456 ordered residues) poorly diffracting (d{sub min} = 3.5 {angstrom}) selenomethionyl protein (20 Se). It is quantified that the anomalous signal, success in substructure determination and accuracy of phases and electron-density maps all improve with an increase in the number of crystals used in merging. Structure solutions are possible when no single crystal can support structural analysis. It is proposed that such multi-crystal strategies may be broadly useful when only weak anomalous signals are available.

  1. Driving and braking control of PM synchronous motor based on low-resolution hall sensor for battery electric vehicle

    NASA Astrophysics Data System (ADS)

    Gu, Jing; Ouyang, Minggao; Li, Jianqiu; Lu, Dongbin; Fang, Chuan; Ma, Yan

    2013-01-01

    Resolvers are normally employed for rotor positioning in motors for electric vehicles, but resolvers are expensive and vulnerable to vibrations. Hall sensors have the advantages of low cost and high reliability, but the positioning accuracy is low. Motors with Hall sensors are typically controlled by six-step commutation algorithm, which brings high torque ripple. This paper studies the high-performance driving and braking control of the in-wheel permanent magnetic synchronous motor (PMSM) based on low-resolution Hall sensors. Field oriented control (FOC) based on Hall-effect sensors is developed to reduce the torque ripple. The positioning accuracy of the Hall sensors is improved by interpolation between two consecutive Hall signals using the estimated motor speed. The position error from the misalignment of the Hall sensors is compensated by the precise calibration of Hall transition timing. The braking control algorithms based on six-step commutation and FOC are studied. Two variants of the six-step commutation braking control, namely, half-bridge commutation and full-bridge commutation, are discussed and compared, which shows that the full-bridge commutation could better explore the potential of the back electro-motive forces (EMF), thus can deliver higher efficiency and smaller current ripple. The FOC braking is analyzed with the phasor diagrams. At a given motor speed, the motor turns from the regenerative braking mode into the plug braking mode if the braking torque exceeds a certain limit, which is proportional to the motor speed. Tests in the dynamometer show that a smooth control could be realized by FOC driving control and the highest efficiency and the smallest current ripple could be achieved by FOC braking control, compared to six-step commutation braking control. Therefore, FOC braking is selected as the braking control algorithm for electric vehicles. The proposed research ensures a good motor control performance while maintaining low cost and high

  2. Determination of interatomic potentials for diatomic molecules from low resolution spectra

    NASA Astrophysics Data System (ADS)

    Urbanczyk, T.; Koperski, J.; Pashov, A.

    2016-12-01

    Often, experimental spectra with only partially resolved rotational structure are observed. In such cases, determination of potential energy curves for the corresponding electronic states might be not as reliable as in the high resolution studies. In this paper, we estimate the uncertainties of the potential energy curve parameters, obtained from spectra with partially or not resolved rotational structure, where both frequencies and intensities are fitted. As an example, recently reported excitation spectrum of the B31(53P1) ← X10+(51S0) electronic transition in CdAr van der Waals complex is used. Two types of Morse functions are used to model the excited state potential, but method can be readily extended to more complex potential functions. It is shown, that for reliable estimation of the uncertainties of given potential function one should take into account the possible variation of the transition dipole moment function.

  3. Low-resolution brain electromagnetic tomography (LORETA) identifies brain regions linked to psychometric performance under modafinil in narcolepsy.

    PubMed

    Saletu, Michael; Anderer, Peter; Semlitsch, Heribert V; Saletu-Zyhlarz, Gerda Maria; Mandl, Magdalena; Zeitlhofer, Josef; Saletu, Bernd

    2007-01-15

    Low-resolution brain electromagnetic tomography (LORETA) showed a functional deterioration of the fronto-temporo-parietal network of the right hemispheric vigilance system in narcolepsy and a therapeutic effect of modafinil. The aim of this study was to determine the effects of modafinil on cognitive and thymopsychic variables in patients with narcolepsy and investigate whether neurophysiological vigilance changes correlate with cognitive and subjective vigilance alterations at the behavioral level. In a double-blind, placebo-controlled crossover design, EEG-LORETA and psychometric data were obtained during midmorning hours in 15 narcoleptics before and after 3 weeks of placebo or 400 mg modafinil. Cognitive investigations included the Pauli Test and complex reaction time. Thymopsychic/psychophysiological evaluation comprised drive, mood, affectivity, wakefulness, depression, anxiety, the Symptom Checklist 90 and critical flicker frequency. The Multiple Sleep Latency Test (MSLT) and the Epworth Sleepiness Scale (ESS) were performed too. Cognitive performance (Pauli Test) was significantly better after modafinil than after placebo. Concerning reaction time and thymopsychic variables, no significant differences were observed. Correlation analyses revealed that a decrease in prefrontal delta, theta and alpha-1 power correlated with an improvement in cognitive performance. Moreover, drowsiness was positively correlated with theta power in parietal and medial prefrontal regions and beta-1 and beta-2 power in occipital regions. A less significant correlation was observed between midmorning EEG LORETA and the MSLT; between EEG LORETA and the ESS, the correlation was even weaker. In conclusion, modafinil did not influence thymopsychic variables in narcolepsy, but it significantly improved cognitive performance, which may be related to medial prefrontal activity processes identified by LORETA.

  4. Studies of magnetopause structure

    NASA Technical Reports Server (NTRS)

    Speiser, Theodore W.

    1991-01-01

    From the International Sun-Earth Explorers (ISEE) 1 magnetopause crossings on November 10, 1977, three-dimensional distribution functions for energetic ions were studied in the magnetosphere, through the magnetopause, and in the magnetosheath (Speiser and Williams, 1982). The particle distributions were particularly examined at and near the times that Russell and Elphic (1978) identified as flux transfer events (FTE). Using a simple, one-dimensional, quasi-static model, particle orbits were followed numerically, from the magnetosphere into the sheath. The inner, trapped, distribution initializes the distribution function. Liouville's theorem allows the inner distribution to be mapped into the sheath following the orbits. This mapping is shown for four mangetosheath ion flows (MIF's) corresponding to four flux transfer events. Results from the studies are discussed. A brief discussion of current sheet particle motion is presented.

  5. Uncertainty of global summer precipitation in the CMIP5 models: a comparison between high-resolution and low-resolution models

    NASA Astrophysics Data System (ADS)

    Huang, Danqing; Yan, Peiwen; Zhu, Jian; Zhang, Yaocun; Kuang, Xueyuan; Cheng, Jing

    2017-02-01

    The uncertainty of global summer precipitation simulated by the 23 CMIP5 CGCMs and the possible impacts of model resolutions are investigated in this study. Large uncertainties exist over the tropical and subtropical regions, which can be mainly attributed to convective precipitation simulation. High-resolution models (HRMs) and low-resolution models (LRMs) are further investigated to demonstrate their different contributions to the uncertainties of the ensemble mean. It shows that the high-resolution model ensemble means (HMME) and low-resolution model ensemble mean (LMME) mitigate the biases between the MME and observation over most continents and oceans, respectively. The HMME simulates more precipitation than the LMME over most oceans, but less precipitation over some continents. The dominant precipitation category in the HRMs (LRMs) is the heavy precipitation (moderate precipitation) over the tropic regions. The combinations of convective and stratiform precipitation are also quite different: the HMME has much higher ratio of stratiform precipitation while the LMME has more convective precipitation. Finally, differences in precipitation between the HMME and LMME can be traced to their differences in the SST simulations via the local and remote air-sea interaction.

  6. Low-resolution detergent tracing in protein crystals using xenon or krypton to enhance X-ray contrast.

    PubMed

    Sauer, Oliver; Roth, Michel; Schirmer, Tilman; Rummel, Gabriele; Kratky, Christoph

    2002-01-01

    Xenon and krypton show different solubilities in polar versus apolar solvents. Therefore, these noble gases should accumulate in apolar regions of protein crystals. Specifically, they should accumulate in lipid and detergent solvent regions within crystals of membrane proteins, which can be used as a basis for contrast-variation experiments to distinguish such apolar solvent regions from the aqueous phase by a low-resolution X-ray diffraction experiment. This possibility was explored with the OmpF porin, one of the general diffusion pores of the Escherichia coli outer membrane. Trigonal crystals were exposed to elevated pressures of the two noble gases (up to 10(7) Pa) for several minutes and subsequently flash-cooled to liquid-nitrogen temperatures. Both rare gases bind to a number of 'specific' sites, which can be classified as 'typical' noble-gas binding sites. Compared with a representative water-soluble protein, they are however much more abundant in OmpF. In addition, a very large number of weakly populated sites are observed which accumulate in the region of the 'detergent belt' for crystals exposed to xenon. After application of a Fourier-filtering protocol, low-resolution images of the detergent belt can be obtained. The resulting maps are similar to maps obtained from low-resolution neutron diffraction experiments on contrast-matched crystals.

  7. Structural study of ammonium metatungstate

    SciTech Connect

    Christian, Joel B. Whittingham, M. Stanley

    2008-08-15

    Several techniques have been used to study the structure of the Keggin-type polyoxometalate salt ammonium metatungstate (AMT)-(NH{sub 4}){sub 6}[H{sub 2}W{sub 12}O{sub 40}]*nH{sub 2}O, a potential fuel cell catalyst. The dehydrated salt is comprised of a mixture of crystallites of different unit cells in a centered eutactic cubic configuration, with an average unit cell of a{approx_equal}12.295. Varied orientations of the Keggin ions in the cubic arrangement create the differences, and orientational variation within each unit cell size represents an energy well. Progressive hydration of each crystallite leads to expansion of the lattice, with the degree of expansion depending on the locations of the water added in relation to the Keggin ion, which is influenced by cation location and hydrogen bonding. The structural hypothesis is supported by electron diffraction of single and multicrystal samples, by powder density measurements, X-ray powder diffraction studies, synchrotron powder X-ray diffraction, and a priori structural modeling studies. Based on the structure, projected active site densities are compared with nanostructured platinum catalysts for fuel cell application. - Graphical abstract: The structure of ammonium metatungstate powders are highly dependent on hydration and POM molecule rotation, with cation and hydrogen bonding forces directing a mixture of structures that have been studied with bulk and single-crystal methods. The illustration shows Monte Carlo simulated anion structural disorder for the fully dehydrated form of the title compound.

  8. Structural dynamics verification facility study

    NASA Technical Reports Server (NTRS)

    Kiraly, L. J.; Hirchbein, M. S.; Mcaleese, J. M.; Fleming, D. P.

    1981-01-01

    The need for a structural dynamics verification facility to support structures programs was studied. Most of the industry operated facilities are used for highly focused research, component development, and problem solving, and are not used for the generic understanding of the coupled dynamic response of major engine subsystems. Capabilities for the proposed facility include: the ability to both excite and measure coupled structural dynamic response of elastic blades on elastic shafting, the mechanical simulation of various dynamical loadings representative of those seen in operating engines, and the measurement of engine dynamic deflections and interface forces caused by alternative engine mounting configurations and compliances.

  9. Test-retest reliability of white matter structural brain networks: a multiband diffusion MRI study.

    PubMed

    Zhao, Tengda; Duan, Fei; Liao, Xuhong; Dai, Zhengjia; Cao, Miao; He, Yong; Shu, Ni

    2015-01-01

    The multiband EPI sequence has been developed for the human connectome project to accelerate MRI data acquisition. However, no study has yet investigated the test-retest (TRT) reliability of the graph metrics of white matter (WM) structural brain networks constructed from this new sequence. Here, we employed a multiband diffusion MRI (dMRI) dataset with repeated scanning sessions and constructed both low- and high-resolution WM networks by volume- and surface-based parcellation methods. The reproducibility of network metrics and its dependence on type of construction procedures was assessed by the intra-class correlation coefficient (ICC). We observed conserved topological architecture of WM structural networks constructed from the multiband dMRI data as previous findings from conventional dMRI. For the global network properties, the first order metrics were more reliable than second order metrics. Between two parcellation methods, networks with volume-based parcellation showed better reliability than surface-based parcellation, especially for the global metrics. Between different resolutions, the high-resolution network exhibited higher TRT performance than the low-resolution in terms of the global metrics with a large effect size, whereas the low-resolution performs better in terms of local (region and connection) properties with a relatively low effect size. Moreover, we identified that the association and primary cortices showed higher reproducibility than the paralimbic/limbic regions. The important hub regions and rich-club connections are more reliable than the non-hub regions and connections. Finally, we found WM networks from the multiband dMRI showed higher reproducibility compared with those from the conventional dMRI. Together, our results demonstrated the fair to good reliability of the WM structural brain networks from the multiband EPI sequence, suggesting its potential utility for exploring individual differences and for clinical applications.

  10. USANS study of wood structure

    NASA Astrophysics Data System (ADS)

    Garvey, Christopher J.; Knott, Robert B.; Searson, Matthew; Conroy, Jann P.

    2006-11-01

    Wood performs a vascular and structural function in trees. In this study we used the double-crystal diffractometer BT5 at the NIST Center for Neutron Scattering (Gaithersburg, USA) to study the pore structure inside wood sections. The slit-smeared intensity of scattered neutrons was measured from wood sections in directions parallel, orthogonal and transverse to the tree's trunk axis over a scattering vector range 0.00004-0.002 Å -1. The interpretation of the data in terms of a reductionist model consisting of infinitely long cylinders (cell lumens) is discussed.

  11. Use of noncrystallographic symmetry for automated model building at medium to low resolution.

    PubMed

    Wiegels, Tim; Lamzin, Victor S

    2012-04-01

    A novel method is presented for the automatic detection of noncrystallographic symmetry (NCS) in macromolecular crystal structure determination which does not require the derivation of molecular masks or the segmentation of density. It was found that throughout structure determination the NCS-related parts may be differently pronounced in the electron density. This often results in the modelling of molecular fragments of variable length and accuracy, especially during automated model-building procedures. These fragments were used to identify NCS relations in order to aid automated model building and refinement. In a number of test cases higher completeness and greater accuracy of the obtained structures were achieved, specifically at a crystallographic resolution of 2.3 Å or poorer. In the best case, the method allowed the building of up to 15% more residues automatically and a tripling of the average length of the built fragments.

  12. Structural Studies of Ciliary Components

    PubMed Central

    Mizuno, Naoko; Taschner, Michael; Engel, Benjamin D.; Lorentzen, Esben

    2012-01-01

    Cilia are organelles found on most eukaryotic cells, where they serve important functions in motility, sensory reception, and signaling. Recent advances in electron tomography have facilitated a number of ultrastructural studies of ciliary components that have significantly improved our knowledge of cilium architecture. These studies have produced nanometer‐resolution structures of axonemal dynein complexes, microtubule doublets and triplets, basal bodies, radial spokes, and nexin complexes. In addition to these electron tomography studies, several recently published crystal structures provide insights into the architecture and mechanism of dynein as well as the centriolar protein SAS-6, important for establishing the 9-fold symmetry of centrioles. Ciliary assembly requires intraflagellar transport (IFT), a process that moves macromolecules between the tip of the cilium and the cell body. IFT relies on a large 20-subunit protein complex that is thought to mediate the contacts between ciliary motor and cargo proteins. Structural investigations of IFT complexes are starting to emerge, including the first three‐dimensional models of IFT material in situ, revealing how IFT particles organize into larger train-like arrays, and the high-resolution structure of the IFT25/27 subcomplex. In this review, we cover recent advances in the structural and mechanistic understanding of ciliary components and IFT complexes. PMID:22683354

  13. Development of an iterative reconstruction method to overcome 2D detector low resolution limitations in MLC leaf position error detection for 3D dose verification in IMRT.

    PubMed

    Visser, R; Godart, J; Wauben, D J L; Langendijk, J A; Van't Veld, A A; Korevaar, E W

    2016-05-21

    The objective of this study was to introduce a new iterative method to reconstruct multi leaf collimator (MLC) positions based on low resolution ionization detector array measurements and to evaluate its error detection performance. The iterative reconstruction method consists of a fluence model, a detector model and an optimizer. Expected detector response was calculated using a radiotherapy treatment plan in combination with the fluence model and detector model. MLC leaf positions were reconstructed by minimizing differences between expected and measured detector response. The iterative reconstruction method was evaluated for an Elekta SLi with 10.0 mm MLC leafs in combination with the COMPASS system and the MatriXX Evolution (IBA Dosimetry) detector with a spacing of 7.62 mm. The detector was positioned in such a way that each leaf pair of the MLC was aligned with one row of ionization chambers. Known leaf displacements were introduced in various field geometries ranging from  -10.0 mm to 10.0 mm. Error detection performance was tested for MLC leaf position dependency relative to the detector position, gantry angle dependency, monitor unit dependency, and for ten clinical intensity modulated radiotherapy (IMRT) treatment beams. For one clinical head and neck IMRT treatment beam, influence of the iterative reconstruction method on existing 3D dose reconstruction artifacts was evaluated. The described iterative reconstruction method was capable of individual MLC leaf position reconstruction with millimeter accuracy, independent of the relative detector position within the range of clinically applied MU's for IMRT. Dose reconstruction artifacts in a clinical IMRT treatment beam were considerably reduced as compared to the current dose verification procedure. The iterative reconstruction method allows high accuracy 3D dose verification by including actual MLC leaf positions reconstructed from low resolution 2D measurements.

  14. Development of an iterative reconstruction method to overcome 2D detector low resolution limitations in MLC leaf position error detection for 3D dose verification in IMRT

    NASA Astrophysics Data System (ADS)

    Visser, R.; Godart, J.; Wauben, D. J. L.; Langendijk, J. A.; van't Veld, A. A.; Korevaar, E. W.

    2016-05-01

    The objective of this study was to introduce a new iterative method to reconstruct multi leaf collimator (MLC) positions based on low resolution ionization detector array measurements and to evaluate its error detection performance. The iterative reconstruction method consists of a fluence model, a detector model and an optimizer. Expected detector response was calculated using a radiotherapy treatment plan in combination with the fluence model and detector model. MLC leaf positions were reconstructed by minimizing differences between expected and measured detector response. The iterative reconstruction method was evaluated for an Elekta SLi with 10.0 mm MLC leafs in combination with the COMPASS system and the MatriXX Evolution (IBA Dosimetry) detector with a spacing of 7.62 mm. The detector was positioned in such a way that each leaf pair of the MLC was aligned with one row of ionization chambers. Known leaf displacements were introduced in various field geometries ranging from  -10.0 mm to 10.0 mm. Error detection performance was tested for MLC leaf position dependency relative to the detector position, gantry angle dependency, monitor unit dependency, and for ten clinical intensity modulated radiotherapy (IMRT) treatment beams. For one clinical head and neck IMRT treatment beam, influence of the iterative reconstruction method on existing 3D dose reconstruction artifacts was evaluated. The described iterative reconstruction method was capable of individual MLC leaf position reconstruction with millimeter accuracy, independent of the relative detector position within the range of clinically applied MU’s for IMRT. Dose reconstruction artifacts in a clinical IMRT treatment beam were considerably reduced as compared to the current dose verification procedure. The iterative reconstruction method allows high accuracy 3D dose verification by including actual MLC leaf positions reconstructed from low resolution 2D measurements.

  15. Fully automatic segmentation of femurs with medullary canal definition in high and in low resolution CT scans.

    PubMed

    Almeida, Diogo F; Ruben, Rui B; Folgado, João; Fernandes, Paulo R; Audenaert, Emmanuel; Verhegghe, Benedict; De Beule, Matthieu

    2016-12-01

    Femur segmentation can be an important tool in orthopedic surgical planning. However, in order to overcome the need of an experienced user with extensive knowledge on the techniques, segmentation should be fully automatic. In this paper a new fully automatic femur segmentation method for CT images is presented. This method is also able to define automatically the medullary canal and performs well even in low resolution CT scans. Fully automatic femoral segmentation was performed adapting a template mesh of the femoral volume to medical images. In order to achieve this, an adaptation of the active shape model (ASM) technique based on the statistical shape model (SSM) and local appearance model (LAM) of the femur with a novel initialization method was used, to drive the template mesh deformation in order to fit the in-image femoral shape in a time effective approach. With the proposed method a 98% convergence rate was achieved. For high resolution CT images group the average error is less than 1mm. For the low resolution image group the results are also accurate and the average error is less than 1.5mm. The proposed segmentation pipeline is accurate, robust and completely user free. The method is robust to patient orientation, image artifacts and poorly defined edges. The results excelled even in CT images with a significant slice thickness, i.e., above 5mm. Medullary canal segmentation increases the geometric information that can be used in orthopedic surgical planning or in finite element analysis.

  16. Sr/Ca ratios in cold-water corals - a 'low-resolution' temperature archive?

    NASA Astrophysics Data System (ADS)

    Rüggeberg, Andres; Riethdorf, Jan-Rainer; Raddatz, Jacek; López Correa, Matthias; Montagna, Paolo; Dullo, Wolf-Christian; Freiwald, André

    2010-05-01

    One of the basic data to understand global change and past global changes is the measurement and the reconstruction of temperature of marine water masses. E.g. seawater temperature controls the density of seawater and in combination with salinity is the major driving force for the oceans circulation system. Geochemical investigations on cold-water corals Lophelia pertusa and Desmophyllum cristagalli indicated the potential of these organisms as high-resolution archives of environmental parameters from intermediate and deeper water masses (Adkins and Boyle 1997). Some studies tried to use cold-water corals as a high-resolution archive of temperature and salinity (Smith et al. 2000, 2002; Blamart et al. 2005; Lutringer et al. 2005). However, the fractionation of stable isotopes (delta18O and delta13C) and element ratios (Sr/Ca, Mg/Ca, U/Ca) are strongly influenced by vital effects (Shirai et al. 2005; Cohen et al. 2006), and difficult to interpret. Nevertheless, ongoing studies indicate the potential of a predominant temperature dependent fractionation of distinct isotopes and elements (e.g. Li/Ca, Montagna et al. 2008; U/Ca, Mg/Ca, delta18O, Lòpez Correa et al. 2008; delta88/86Sr, Rüggeberg et al. 2008). Within the frame of DFG-Project TRISTAN and Paläo-TRISTAN (Du 129/37-2 and 37-3) we investigated live-collected specimens of cold-water coral L. pertusa from all along the European continental margin (Northern and mid Norwegian shelves, Skagerrak, Rockall and Porcupine Bank, Galicia Bank, Gulf of Cadiz, Mediterranean Sea). These coral samples grew in waters characterized by temperatures between 6°C and 14°C. Electron Microprobe investigations along the growth direction of individual coral polyps were applied to determine the relationship between the incorporation of distinct elements (Sr, Ca, Mg, S). Cohen et al. (2006) showed for L. pertusa from the Kosterfjord, Skagerrak, that ~25% of the coral's Sr/Ca ratio is related to temperature, while 75% are influenced

  17. Performance evaluation of a simulated data-flow computer with low-resolution actors

    SciTech Connect

    Gaudiot, J.L.; Ercegovac, M.D.

    1985-11-01

    In the ambition to go beyond a single-processor architecture, to enhance programmability, and to take advantage of the power brought by VLSI devices, data-flow systems and languages were devised. Indeed, due to their functional semantics, these languages offer promise in the area of multiprocessor systems design and will possibly enable the development of computers comprising large numbers of processors with a corresponding increase in performance. Several important design problems have to be surmounted and are described here. The authors thus present a ''variable-resolution'' scheme, where the level of primitives can be selected so that the overhead due to the data-flow mode of operation is reduced. A deterministic simulation of a data-flow machine with a variable number of processing elements was undertaken and is described here. The tests were performed using various program structures such as directed acyclic graphs, vector operations, and array handling. The performance results observed confirm the advantage of actors with variable size and indicate the presence of a trade-off between overhead control and the need to control parallelism in the program. The authors also look at some of the communication issues and examine the effect of several interconnection networks (dual counter-rotating rings, daisy chain, and optimal double loop network) on the performance. It is shown how increasing communication costs induce a performance degradation that can be masked when the size of the basic data-flow actor is increased. The associative memory cycle time is also changed with similar conclusions. Finally, the lower-resolution scheme is applied to the array handling case; the observations confirm the advantage of a more complex actor at the array level.

  18. High Resolution Narrow-Field Versus Low Resolution Widefield Observations of Galaxies

    NASA Astrophysics Data System (ADS)

    Capaccioli, M.; Davoust, E.; Lelievre, G.; Nieto, J. L.

    There is an increasing evidence that small-scale phenomena occurring in the inner regions of galaxies are related to large-scale phenomena such as, merging or violent interactions between galaxies. The aim of this communication is to illustrate the complementarity between high-resolution, small-field telescopes and Schmidt-type telescopes for the study of this phenomenology.

  19. Structural studies of the formation of lipoplexes between siRNA and selected bis-imidazolium gemini surfactants.

    PubMed

    Andrzejewska, W; Pietralik, Z; Skupin, M; Kozak, M

    2016-10-01

    Dicationic (gemini) surfactants are agents that can be used for the preparation of stable complexes of nucleic acids, particularly siRNA for therapeutic purposes. In this study, we demonstrated that bis-imidazolium gemini surfactants with variable lengths of dioxyalkyl linker groups (from dioxyethyl to dioxydodecyl) and dodecyl side chains are excellent for the complexation of siRNA. All of these compounds effectively complexed siRNA in a charge ratio range (p/n) of 1.5-10. The low resolution structure of siRNA oligomers was characterised by small angle scattering of synchrotron radiation (SR-SAXS) and ab initio modelling. The structures of the formed complexes were also analysed using SR-SAXS, circular dichroism studies and electrophoretic mobility tests. The most promising agents for complexation with siRNA were the surfactants that contained dioxyethyl and dioxyhexyl spacer groups.

  20. The coelacanth rostral organ is a unique low-resolution electro-detector that facilitates the feeding strike

    PubMed Central

    Berquist, Rachel M.; Galinsky, Vitaly L.; Kajiura, Stephen M.; Frank, Lawrence R.

    2015-01-01

    The cartilaginous and non-neopterygian bony fishes have an electric sense typically comprised of hundreds or thousands of sensory canals distributed in broad clusters over the head. This morphology facilitates neural encoding of local electric field intensity, orientation, and polarity, used for determining the position of nearby prey. The coelacanth rostral organ electric sense, however, is unique in having only three paired sensory canals with distribution restricted to the dorsal snout, raising questions about its function. To address this, we employed magnetic resonance imaging methods to map electrosensory canal morphology in the extant coelacanth, Latimeria chalumnae, and a simple dipole ‘rabbit ears' antennae model with toroidal gain function to approximate their directional sensitivity. This identified a unique focal region of electrosensitivity directly in front of the mouth, and is the first evidence of a low-resolution electro-detector that solely facilitates prey ingestion. PMID:25758410

  1. A model-based approach for detection of objects in low resolution passive-millimeter wave images

    NASA Technical Reports Server (NTRS)

    Tang, Yuan-Liang; Devadiga, Sadashiva; Kasturi, Rangachar; Harris, Randall L., Sr.

    1993-01-01

    We describe a model-based vision system to assist pilots in landing maneuvers under restricted visibility conditions. The system was designed to analyze image sequences obtained from a Passive Millimeter Wave (PMMW) imaging system mounted on the aircraft to delineate runways/taxiways, buildings, and other objects on or near runways. PMMW sensors have good response in a foggy atmosphere; but, their spatial resolution is very low. However, additional data such as airport model and approximate position and orientation of aircraft are available. We exploit these data to guide our model-based system to locate objects in the low resolution image and generate warning signals to alert the pilots. We also derive analytical expressions for the accuracy of the camera position estimate obtained by detecting the position of known objects in the image.

  2. The coelacanth rostral organ is a unique low-resolution electro-detector that facilitates the feeding strike.

    PubMed

    Berquist, Rachel M; Galinsky, Vitaly L; Kajiura, Stephen M; Frank, Lawrence R

    2015-03-11

    The cartilaginous and non-neopterygian bony fishes have an electric sense typically comprised of hundreds or thousands of sensory canals distributed in broad clusters over the head. This morphology facilitates neural encoding of local electric field intensity, orientation, and polarity, used for determining the position of nearby prey. The coelacanth rostral organ electric sense, however, is unique in having only three paired sensory canals with distribution restricted to the dorsal snout, raising questions about its function. To address this, we employed magnetic resonance imaging methods to map electrosensory canal morphology in the extant coelacanth, Latimeria chalumnae, and a simple dipole 'rabbit ears' antennae model with toroidal gain function to approximate their directional sensitivity. This identified a unique focal region of electrosensitivity directly in front of the mouth, and is the first evidence of a low-resolution electro-detector that solely facilitates prey ingestion.

  3. The mid-infrared instrument for the James Webb Space Telescope: performance and operation of the Low-Resolution Spectrometer

    NASA Astrophysics Data System (ADS)

    Kendrew, Sarah; Scheithauer, Silvia; Bouchet, Patrice; Amiaux, Jerome; Azzollini, Ruymán.; Bouwman, Jeroen; Chen, Christine; Dubreuil, Didier; Fischer, Sebastian; Fox, Ori D.; Glasse, Alistair; Gordon, Karl; Greene, Tom; Hines, Dean C.; Lagage, Pierre-Olivier; Lahuis, Fred; Ronayette, Samuel; Wright, David; Wright, Gillian S.

    2016-07-01

    We describe here the performance and operational concept for the Low Resolution Spectrometer (LRS) of the mid-infrared instrument (MIRI) for the James Webb Space Telescope. The LRS will provide R˜100 slit and slitless spectroscopy from 5 to 12 micron, and its design is optimised for observations of compact sources, such as exoplanet host stars. We provide here an overview of the design of the LRS, and its performance as measured during extensive test campaigns, examining in particular the delivered image quality, dispersion, and resolving power, as well as spectrophotometric performance. The instrument also includes a slitless spectroscopy mode, which is optimally suited for transit spectroscopy of exoplanet atmospheres. We provide an overview of the operational procedures and the differences ahead of the JWST launch in 2018.

  4. The low-resolution imaging spectrograph red channel CCD upgrade: fully depleted, high-resistivity CCDs for Keck

    NASA Astrophysics Data System (ADS)

    Rockosi, C.; Stover, R.; Kibrick, R.; Lockwood, C.; Peck, M.; Cowley, D.; Bolte, M.; Adkins, S.; Alcott, B.; Allen, S. L.; Brown, B.; Cabak, G.; Deich, W.,; Hilyard, D.,; Kassis, M.,; Lanclos, K.,; Lewis, J.,; Pfister, T.,; Phillips, A.,; Robinson, L.,; Saylor, M.,; Thompson, M.,; Ward, J.,; Wei, M.,; Wright, C.,

    2010-07-01

    A mosaic of two 2k x 4k fully depleted, high resistivity CCD detectors was installed in the red channel of the Low Resolution Imaging Spectrograph for the Keck-I Telescope in June, 2009 replacing a monolithic Tektronix/SITe 2k x 2k CCD. These CCDs were fabricated at Lawrence Berkeley National Laboratory (LBNL) and packaged and characterized by UCO/Lick Observatory. Major goals of the detector upgrade were increased throughput and reduced interference fringing at wavelengths beyond 800 nm, as well as improvements in the maintainability and serviceability of the instrument. We report on the main features of the design, the results of optimizing detector performance during integration and testing, as well as the throughput, sensitivity and performance of the instrument as characterized during commissioning.

  5. An innovative method for extracting isotopic information from low-resolution gamma spectra

    SciTech Connect

    Miko, D.; Estep, R.J.; Rawool-Sullivan, M.W.

    1998-12-01

    A method is described for the extraction of isotopic information from attenuated gamma ray spectra using the gross-count material basis set (GC-MBS) model. This method solves for the isotopic composition of an unknown mixture of isotopes attenuated through an absorber of unknown material. For binary isotopic combinations the problem is nonlinear in only one variable and is easily solved using standard line optimization techniques. Results are presented for NaI spectrum analyses of various binary combinations of enriched uranium, depleted uranium, low burnup Pu, {sup 137}Cs, and {sup 133}Ba attenuated through a suite of absorbers ranging in Z from polyethylene through lead. The GC-MBS method results are compared to those computed using ordinary response function fitting and with a simple net peak area method. The GC-MBS method was found to be significantly more accurate than the other methods over the range of absorbers and isotopic blends studied.

  6. ELM: AN ALGORITHM TO ESTIMATE THE ALPHA ABUNDANCE FROM LOW-RESOLUTION SPECTRA

    SciTech Connect

    Bu, Yude; Zhao, Gang; Kumar, Yerra Bharat; Pan, Jingchang E-mail: gzhao@nao.cas.cn

    2016-01-20

    We have investigated a novel methodology using the extreme learning machine (ELM) algorithm to determine the α abundance of stars. Applying two methods based on the ELM algorithm—ELM+spectra and ELM+Lick indices—to the stellar spectra from the ELODIE database, we measured the α abundance with a precision better than 0.065 dex. By applying these two methods to the spectra with different signal-to-noise ratios (S/Ns) and different resolutions, we found that ELM+spectra is more robust against degraded resolution and ELM+Lick indices is more robust against variation in S/N. To further validate the performance of ELM, we applied ELM+spectra and ELM+Lick indices to SDSS spectra and estimated α abundances with a precision around 0.10 dex, which is comparable to the results given by the SEGUE Stellar Parameter Pipeline. We further applied ELM to the spectra of stars in Galactic globular clusters (M15, M13, M71) and open clusters (NGC 2420, M67, NGC 6791), and results show good agreement with previous studies (within 1σ). A comparison of the ELM with other widely used methods including support vector machine, Gaussian process regression, artificial neural networks, and linear least-squares regression shows that ELM is efficient with computational resources and more accurate than other methods.

  7. Determining the material type of man-made orbiting objects using low-resolution reflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    Jorgensen, Kira; Africano, John L.; Stansbery, Eugene G.; Kervin, Paul W.; Hamada, Kris M.; Sydney, Paul F.

    2001-12-01

    The purpose of this research is to improve the knowledge of the physical properties of orbital debris, specifically the material type. Combining the use of the fast-tracking United States Air Force Research Laboratory (AFRL) telescopes with a common astronomical technique, spectroscopy, and NASA resources was a natural step toward determining the material type of orbiting objects remotely. Currently operating at the AFRL Maui Optical Site (AMOS) is a 1.6-meter telescope designed to track fast moving objects like those found in lower Earth orbit (LEO). Using the spectral range of 0.4 - 0.9 microns (4000 - 9000 angstroms), researchers can separate materials into classification ranges. Within the above range, aluminum, paints, plastics, and other metals have different absorption features as well as slopes in their respective spectra. The spectrograph used on this telescope yields a three-angstrom resolution; large enough to see smaller features mentioned and thus determine the material type of the object. The results of the NASA AMOS Spectral Study (NASS) are presented herein.

  8. ELM: an Algorithm to Estimate the Alpha Abundance from Low-resolution Spectra

    NASA Astrophysics Data System (ADS)

    Bu, Yude; Zhao, Gang; Pan, Jingchang; Bharat Kumar, Yerra

    2016-01-01

    We have investigated a novel methodology using the extreme learning machine (ELM) algorithm to determine the α abundance of stars. Applying two methods based on the ELM algorithm—ELM+spectra and ELM+Lick indices—to the stellar spectra from the ELODIE database, we measured the α abundance with a precision better than 0.065 dex. By applying these two methods to the spectra with different signal-to-noise ratios (S/Ns) and different resolutions, we found that ELM+spectra is more robust against degraded resolution and ELM+Lick indices is more robust against variation in S/N. To further validate the performance of ELM, we applied ELM+spectra and ELM+Lick indices to SDSS spectra and estimated α abundances with a precision around 0.10 dex, which is comparable to the results given by the SEGUE Stellar Parameter Pipeline. We further applied ELM to the spectra of stars in Galactic globular clusters (M15, M13, M71) and open clusters (NGC 2420, M67, NGC 6791), and results show good agreement with previous studies (within 1σ). A comparison of the ELM with other widely used methods including support vector machine, Gaussian process regression, artificial neural networks, and linear least-squares regression shows that ELM is efficient with computational resources and more accurate than other methods.

  9. Low-Resolution Electromagnetic Tomography (LORETA) of changed Brain Function Provoked by Pro-Dopamine Regulator (KB220z) in one Adult ADHD case

    PubMed Central

    Steinberg, Bruce; Blum, Kenneth; McLaughlin, Thomas; Lubar, Joel; Febo, Marcelo; Braverman, Eric R.; Badgaiyan, Rajendra D

    2016-01-01

    Attention Deficit-Hyperactivity Disorder (ADHD) often continues into adulthood. Recent neuroimaging studies found lowered baseline dopamine tone in the brains of affected individuals that may place them at risk for Substance Use Disorder (SUD). This is an observational case study of the potential for novel management of Adult ADHD with a non-addictive glutaminergic-dopaminergic optimization complex KB200z. Low-resolution electromagnetic tomography (LORETA) was used to evaluate the effects of KB220z on a 72-year-old male with ADHD, at baseline and one hour following administration. The resultant z-scores, averaged across Eyes Closed, Eyes Open and Working Memory conditions, increased for each frequency band, in the anterior, dorsal and posterior cingulate regions, as well as the right dorsolateral prefrontal cortex during Working Memory, with KB220z. These scores are consistent with other human and animal neuroimaging studies that demonstrated increased connectivity volumes in reward circuitry and may offer a new approach to ADHD treatment. However, larger randomized trials to confirm these results are required. PMID:27610420

  10. Projections onto Convex Sets Super-Resolution Reconstruction Based on Point Spread Function Estimation of Low-Resolution Remote Sensing Images

    PubMed Central

    Fan, Chong; Wu, Chaoyun; Li, Grand; Ma, Jun

    2017-01-01

    To solve the problem on inaccuracy when estimating the point spread function (PSF) of the ideal original image in traditional projection onto convex set (POCS) super-resolution (SR) reconstruction, this paper presents an improved POCS SR algorithm based on PSF estimation of low-resolution (LR) remote sensing images. The proposed algorithm can improve the spatial resolution of the image and benefit agricultural crop visual interpolation. The PSF of the high-resolution (HR) image is unknown in reality. Therefore, analysis of the relationship between the PSF of the HR image and the PSF of the LR image is important to estimate the PSF of the HR image by using multiple LR images. In this study, the linear relationship between the PSFs of the HR and LR images can be proven. In addition, the novel slant knife-edge method is employed, which can improve the accuracy of the PSF estimation of LR images. Finally, the proposed method is applied to reconstruct airborne digital sensor 40 (ADS40) three-line array images and the overlapped areas of two adjacent GF-2 images by embedding the estimated PSF of the HR image to the original POCS SR algorithm. Experimental results show that the proposed method yields higher quality of reconstructed images than that produced by the blind SR method and the bicubic interpolation method. PMID:28208837

  11. Potential radionuclide emissions from stacks on the Hanford site, Part 2: Dose assessment methodology using portable low-resolution gamma spectroscopy

    SciTech Connect

    Barnett, J.M.

    1995-02-01

    In September 1992, the Westinghouse Hanford Company began developing an in situ measurement method to assess gamma radiation emanating from high-efficiency particulate air filters using portable low-resolution gamma spectroscopy. The purpose of the new method was to assess radioactive exhaust stack air emissions from empirical data rather than from theoretical models and to determine the potential unabated dose to an offsite theoretical maximally exposed individual. In accordance with Title 40, Code of Federal Regulations, Part 61, Subpart H, {open_quotes}National Emission Standards for Hazardous Air Pollutants{close_quotes}, stacks that have the potential to emit {ge} 1 {mu}Sv y{sup {minus}1} (0.1 mrem y{sup {minus}1}) to the maximally exposed individual are considered {open_quotes}major{close_quotes} and must meet the continuous monitoring requirements. After the method was tested and verified, the U.S. Environmental Protection Agency, Region 10, approved its use in June 1993. Of the 125 stacks operated by the Westinghouse Hanford Company, 22 were targeted for evaluation by this method, and 15 were assessed. (The method could not be applied at seven stacks because of excessive background radiation or because no gamma emitting particles appear in the emission stream.) The most significant result from this study was the redesignation of the T Plant main stack. The stack was assessed as being {open_quotes}minor{close_quotes}, and it now only requires periodic confirmatory measurements and meets federally imposed sampling requirements.

  12. Projections onto Convex Sets Super-Resolution Reconstruction Based on Point Spread Function Estimation of Low-Resolution Remote Sensing Images.

    PubMed

    Fan, Chong; Wu, Chaoyun; Li, Grand; Ma, Jun

    2017-02-13

    To solve the problem on inaccuracy when estimating the point spread function (PSF) of the ideal original image in traditional projection onto convex set (POCS) super-resolution (SR) reconstruction, this paper presents an improved POCS SR algorithm based on PSF estimation of low-resolution (LR) remote sensing images. The proposed algorithm can improve the spatial resolution of the image and benefit agricultural crop visual interpolation. The PSF of the highresolution (HR) image is unknown in reality. Therefore, analysis of the relationship between the PSF of the HR image and the PSF of the LR image is important to estimate the PSF of the HR image by using multiple LR images. In this study, the linear relationship between the PSFs of the HR and LR images can be proven. In addition, the novel slant knife-edge method is employed, which can improve the accuracy of the PSF estimation of LR images. Finally, the proposed method is applied to reconstruct airborne digital sensor 40 (ADS40) three-line array images and the overlapped areas of two adjacent GF-2 images by embedding the estimated PSF of the HR image to the original POCS SR algorithm. Experimental results show that the proposed method yields higher quality of reconstructed images than that produced by the blind SR method and the bicubic interpolation method.

  13. Using power spectrum analysis to evaluate (18)O-water labeling data acquired from low resolution mass spectrometers.

    PubMed

    Sadygov, Rovshan G; Zhao, Yingxin; Haidacher, Sigmund J; Starkey, Jonathan M; Tilton, Ronald G; Denner, Larry

    2010-08-06

    We describe a method for ratio estimations in (18)O-water labeling experiments acquired from low resolution isotopically resolved data. The method is implemented in a software package specifically designed for use in experiments making use of zoom-scan mode data acquisition. Zoom-scan mode data allow commonly used ion trap mass spectrometers to attain isotopic resolution, which makes them amenable to use in labeling schemes such as (18)O-water labeling, but algorithms and software developed for high resolution instruments may not be appropriate for the lower resolution data acquired in zoom-scan mode. The use of power spectrum analysis is proposed as a general approach that may be uniquely suited to these data types. The software implementation uses a power spectrum to remove high-frequency noise and band-filter contributions from coeluting species of differing charge states. From the elemental composition of a peptide sequence, we generate theoretical isotope envelopes of heavy-light peptide pairs in five different ratios; these theoretical envelopes are correlated with the filtered experimental zoom scans. To automate peptide quantification in high-throughput experiments, we have implemented our approach in a computer program, MassXplorer. We demonstrate the application of MassXplorer to two model mixtures of known proteins and to a complex mixture of mouse kidney cortical extract. Comparison with another algorithm for ratio estimations demonstrates the increased precision and automation of MassXplorer.

  14. A method of discriminating transuranic radionuclides from radon progeny using low-resolution alpha spectroscopy and curve-fitting techniques.

    PubMed

    Konzen, Kevin; Brey, Richard

    2012-05-01

    ²²²Rn (radon) and ²²⁰Rn (thoron) progeny are known to interfere with determining the presence of long-lived transuranic radionuclides, such as plutonium and americium, and require from several hours up to several days for conclusive results. Methods are proposed that should expedite the analysis of air samples for determining the amount of transuranic radionuclides present using low-resolution alpha spectroscopy systems available from typical alpha continuous air monitors (CAMs) with multi-channel analyzer (MCA) capabilities. An alpha spectra simulation program was developed in Microsoft Excel visual basic that employed the use of Monte Carlo numerical methods and serial-decay differential equations that resembled actual spectra. Transuranic radionuclides were able to be quantified with statistical certainty by applying peak fitting equations using the method of least squares. Initial favorable results were achieved when samples containing radon progeny were decayed 15 to 30 min, and samples containing both radon and thoron progeny were decayed at least 60 min. The effort indicates that timely decisions can be made when determining transuranic activity using available alpha CAMs with alpha spectroscopy capabilities for counting retrospective air samples if accompanied by analyses that consider the characteristics of serial decay.

  15. LOW-RESOLUTION SPECTROSCOPY FOR THE GLOBULAR CLUSTERS WITH SIGNS OF SUPERNOVA ENRICHMENT: M22, NGC 1851, AND NGC 288

    SciTech Connect

    Lim, Dongwook; Han, Sang-Il; Lee, Young-Wook; Roh, Dong-Goo; Sohn, Young-Jong; Chun, Sang-Hyun; Lee, Jae-Woo; Johnson, Christian I.

    2015-01-01

    There is increasing evidence for the presence of multiple red giant branches (RGBs) in the color-magnitude diagrams of massive globular clusters (GCs). In order to investigate the origin of this split on the RGB, we have performed new narrow-band Ca photometry and low-resolution spectroscopy for M22, NGC 1851, and NGC 288. We find significant differences (more than 4σ) in calcium abundance from the spectroscopic HK' index for M22 and NGC 1851. We also find more than 8σ differences in CN-band strength between the Ca-strong and Ca-weak subpopulations for these GCs. For NGC 288, however, a large difference is detected only in the CN strength. The calcium abundances of RGB stars in this GC are identical to within the errors. This is consistent with the conclusion from our new Ca photometry where the RGB splits are confirmed in M22 and NGC 1851, but not in NGC 288. We also find interesting differences in the CN-CH correlations among these GCs. While CN and CH are anti-correlated in NGC 288, they show a positive correlation in M22. NGC 1851, however, shows no difference in CH between the two groups of stars with different CN strengths. We suggest that all of these systematic differences would be best explained by how strongly Type II supernovae enrichment has contributed to the chemical evolution of these GCs.

  16. Gender classification in low-resolution surveillance video: in-depth comparison of random forests and SVMs

    NASA Astrophysics Data System (ADS)

    Geelen, Christopher D.; Wijnhoven, Rob G. J.; Dubbelman, Gijs; de With, Peter H. N.

    2015-03-01

    This research considers gender classification in surveillance environments, typically involving low-resolution images and a large amount of viewpoint variations and occlusions. Gender classification is inherently difficult due to the large intra-class variation and interclass correlation. We have developed a gender classification system, which is successfully evaluated on two novel datasets, which realistically consider the above conditions, typical for surveillance. The system reaches a mean accuracy of up to 90% and approaches our human baseline of 92.6%, proving a high-quality gender classification system. We also present an in-depth discussion of the fundamental differences between SVM and RF classifiers. We conclude that balancing the degree of randomization in any classifier is required for the highest classification accuracy. For our problem, an RF-SVM hybrid classifier exploiting the combination of HSV and LBP features results in the highest classification accuracy of 89.9 0.2%, while classification computation time is negligible compared to the detection time of pedestrians.

  17. Field-structured composite studies.

    SciTech Connect

    Martin, James Ellis; Williamson, Rodney L.

    2004-04-01

    Field-structured composites (FSCs) were produced by hosting micron-sized gold-coated nickel particles in a pre-polymer and allowing the mixture to cure in a magnetic field environment. The feasibility of controlling a composite's electrical conductivity using feedback control applied to the field coils was investigated. It was discovered that conductivity in FSCs is primarily determined by stresses in the polymer host matrix due to cure shrinkage. Thus, in cases where the structuring field was uniform and unidirectional so as to produce chainlike structures in the composite, no electrical conductivity was measured until well after the structuring field was turned off at the gel point. In situations where complex, rotating fields were used to generate complex, three-dimensional structures in a composite, very small, but measurable, conductivity was observed prior to the gel point. Responsive, sensitive prototype chemical sensors were developed based on this technology with initial tests showing very promising results.

  18. Structural study of amorphous polyaniline

    NASA Astrophysics Data System (ADS)

    Laridjani, M.; Pouget, J. P.; MacDiarmid, A. G.; Epstein, A. J.

    1992-06-01

    Many materials, especially polymers, have a substantial volume fraction with no long range crystalline order. Through these regions are often termed amorphous, they frequently have a specific local order. We describe and use here a method, base on a non-energy dispersive X-ray diffraction technique, to obtain good quality interference functions and, by Fourier transform, radial distribution functions of the amorphous structure of polymers. We apply this approach to members of a family of electronic polymers of current interest : polyaniline emeraldine bases. We show that the local order exhibits significant differences in type I and type II materials, precipitated as salt and base respectively. These studies demonstrate the importance of sample preparation in evaluating the physical properties of polyaniline, and provide a structural origin for memory effects observed in the doping-dedoping processes. Beaucoup de matériaux, spécialement les polymères, ont une importante fraction de leur volume sans ordre cristallin à longue portée. Bien que ces régions soient souvent appelées amorphes, elles présentent fréquemment un ordre local caractéristique. Nous décrivons et utilisons dans ce papier une méthode, basée sur une technique de diffraction de rayons X non dispersive en énergie, pour obtenir des fonctions d'interférence de bonne qualité et, par transformée de Fourier, la fonction de distribution radiale des polymères amorphes. Nous appliquons cette technique à plusieurs éléments d'une même famille de polymères électroniques d'intérêt actuel : les polyanilines éméraldine bases. Nous montrons que l'ordre local présente d'appréciables différences dans les matériaux de type I et II, préparés respectivement sous forme de sel et de base. Cette étude démontre l'importance des conditions de préparation sur les propriétés physiques du polyaniline et donne une base structurale aux effets observés dans les processus de dopage-dédopage de

  19. Dihydrofolate reductase: low-resolution mass-spectrometric analysis of an elastase digest as a sequencing tool (Short Communication)

    PubMed Central

    Morris, Howard R.; Batley, Karen E.; Harding, Nigel G. L.; Bjur, Richard A.; Dann, John G.; King, Rodney W.

    1974-01-01

    An elastase digest of a protein of unknown structure, dihydrofolate reductase, was studied by mass spectrometry. This soluble digest contained a large number of small peptides in different yields, within the ideal molecular-weight range (200–1200) for mixture-analysis mass spectrometry. Sequences of the major component peptides in the digest are reported. PMID:4207389

  20. Structural studies in limestone sulfidation

    SciTech Connect

    Fenouil, Laurent A.

    1993-05-01

    This study investigates the sulfidation of limestone at high temperatures (700--900°C) as the first step in the design of a High-Temperature Coal-Gas Clean-Up system using millimeter-size limestone particles. Several workers have found that the rate of this reaction significantly decreases after an initial 10 to 15% conversion of CaCO3 to CaS. The present work attempts to explain this feature. It is first established that millimeter-size limestone particles do not sinter at temperatures up to the CaCO3 calcination point (899°C at 1.03 bar CO2} partial pressure). It is then shown that CaS sinters rapidly at 750 to 900°C if CO2 is present in the gas phase. Scanning Electron Microscope (SEM) photographs and Electron Dispersive Spectroscopy (EDS) data reveal that the CaS product layer sinters and forms a quasi-impermeable coating around the CaCO3 grains that greatly hinders more H2S from reaching the still unreacted parts of the stone. Moreover, most of the pores initially present within the limestone structure begin to disappear or, at least, are significantly reduced in size. From then on, subsequent conversion is limited by diffusion of H2S through the CaS layer, possibly by S2- ionic diffusion. The kinetics is then adequately described by a shrinking-core model, in which a sharp front of completely converted limestone is assumed to progress toward the center of the pellet. Finally, experimental evidence and computer simulations using simple sintering models suggest that the CaS sintering, responsible for the sharp decrease in the sulfidation rate, is surface-diffusion controlled.

  1. Interactive Raster Data Structure Study.

    DTIC Science & Technology

    1983-01-01

    4-23 4-9 Basic Concepts of Conventional Relational Structures and Relational Algebra Operations. . .............. 4-24 4-10 Structural...Graphics-Oriented Relational Algebraic Interpreter Systems... ... ......... .. 4-33 4-15 Logical Picture Representation by Relational Tablets...attempts required users familiar with lineal -based features to conceive of cartographic * entities as scan lines and pixels of data. The relative maturity

  2. Wayfinding with simulated prosthetic vision: performance comparison with regular and structure-enhanced renderings.

    PubMed

    Vergnieux, Victor; Macé, Marc J-M; Jouffrais, Christophe

    2014-01-01

    In this study, we used a simulation of upcoming low-resolution visual neuroprostheses to evaluate the benefit of embedded computer vision techniques in a wayfinding task. We showed that augmenting the classical phosphene rendering with the basic structure of the environment - displaying the ground plane with a different level of brightness - increased both wayfinding performance and cognitive mapping. In spite of the low resolution of current and upcoming visual implants, the improvement of these cognitive functions may already be possible with embedded artificial vision algorithms.

  3. B fields in OB stars (BOB): Low-resolution FORS2 spectropolarimetry of the first sample of 50 massive stars

    NASA Astrophysics Data System (ADS)

    Fossati, L.; Castro, N.; Schöller, M.; Hubrig, S.; Langer, N.; Morel, T.; Briquet, M.; Herrero, A.; Przybilla, N.; Sana, H.; Schneider, F. R. N.; de Koter, A.; BOB Collaboration

    2015-10-01

    Within the context of the collaboration "B fields in OB stars" (BOB), we used the FORS2 low-resolution spectropolarimeter to search for a magnetic field in 50 massive stars, including two reference magnetic massive stars. Because of the many controversies of magnetic field detections obtained with the FORS instruments, we derived the magnetic field values with two completely independent reduction and analysis pipelines. We compare and discuss the results obtained from the two pipelines. We obtained a general good agreement, indicating that most of the discrepancies on magnetic field detections reported in the literature are caused by the interpretation of the significance of the results (i.e., 3-4σ detections considered as genuine, or not), instead of by significant differences in the derived magnetic field values. By combining our results with past FORS1 measurements of HD 46328, we improve the estimate of the stellar rotation period, obtaining P = 2.17950 ± 0.00009 days. For HD 125823, our FORS2 measurements do not fit the available magnetic field model, based on magnetic field values obtained 30 years ago. We repeatedly detect a magnetic field for the O9.7V star HD 54879, the HD 164492C massive binary, and the He-rich star CPD -57 3509. We obtain a magnetic field detection rate of 6 ± 4%, while by considering only the apparently slow rotators we derive a detection rate of 8 ± 5%, both comparable with what was previously reported by other similar surveys. We are left with the intriguing result that, although the large majority of magnetic massive stars is rotating slowly, our detection rate is not a strong function of the stellar rotational velocity. Based on observations made with ESO Telescopes at the La Silla Paranal Observatory under programme ID 191.D-0255(A, C).

  4. Three-Dimensional Electroencephalographic Changes on Low-Resolution Brain Electromagnetic Tomography (LORETA) During the Sleep Onset Period.

    PubMed

    Park, Doo-Heum; Ha, Jee Hyun; Ryu, Seung-Ho; Yu, Jaehak; Shin, Chul-Jin

    2015-10-01

    Electroencephalographic (EEG) patterns during sleep are markedly different from those measured during the waking state, but the process of falling asleep is not fully understood in terms of biochemical and neurophysiological aspects. We sought to investigate EEG changes that occur during the transitional period from wakefulness to sleep in a 3-dimensional manner to gain a better understanding of the physiological meaning of sleep for the brain. We examined EEG 3-dimensionally using LORETA (low-resolution electromagnetic tomography), to localize the brain region associated with changes that occur during the sleep onset period (SOP). Thirty-channel EEG was recorded in 61 healthy subjects. EEG power spectra and intracortical standardized LORETA were compared between 4 types of 30-second states, including the wakeful stage, transition stage, early sleep stage 1, and late sleep stage 1. Sleep onset began with increased delta and theta power and decreased alpha-1 power in the occipital lobe, and increased theta power in the parietal lobe. Thereafter, global reductions of alpha-1 and alpha-2 powers and greater increases of theta power in the occipito-parietal lobe occurred. As sleep became deeper in sleep stage 1, beta-2 and beta-3, powers decreased mainly in the frontal lobe and some regions of the parieto-temporo-limbic area. These findings suggest that sleep onset includes at least 3 steps in a sequential manner, which include an increase in theta waves in the posterior region of the brain, a global decrease in alpha waves, and a decrease in beta waves in the fronto-central area.

  5. Use of a shielded low resolution gamma spectrometer for segregation of free release and low level waste

    SciTech Connect

    Wilkins, C.G.; Alvarez, E.; Cocks, J.; Davison, L.; Mattinson, A.

    2007-07-01

    In the UK, low level radioactive waste (LLW) is sent to the national Low Level Waste Repository (LLWR) at Drigg in Cumbria. Strict rules limit the specific activity of waste that is sent to the LLW Repository and waste producers and consignors have to demonstrate that the waste they send to the repository meets its conditions for acceptance. However, the limited capacity of the Low Level Waste Repository means that it is just as important for waste consignees to ensure that inactive 'free release' or 'exempt' waste is not inadvertently sent to the repository. Incorrect segregation of waste in a decommissioning activity can mean that large amounts of the waste produced is below the exemption limit and could therefore be disposed of in conventional landfill. Sellafield Ltd. is using a pair of Canberra WM2750 Clearance Monitors to assay 100 litre packages of soft waste produced in some of their decommissioning activities at Sellafield. The WM2750 uses low resolution gamma spectrometry (LRGS) to determine the radionuclide content of packages or drums of LLW up to a maximum of 140 litre capacity. It uses a lead shielded measurement chamber to reduce the local radiation background along with high efficiency sodium iodide (NaI) detectors in order to obtain the measurement sensitivity required to be able to distinguish between LLW and exempt waste in a measurement time of less than 1 minute per package. This paper describes the waste monitoring process and the design of the clearance monitor - in particular how it was calibrated and the performance testing that was carried out to ensure that waste items identified by the monitors as being exempt waste are suitable for disposal to a conventional landfill site. (authors)

  6. Application of lanthanum halide scintillators and low-resolution dense plastics for modern MC&A needs.

    SciTech Connect

    Chung, K.; Belian, A. P.; McKigney E. A.; Russo, P. A.

    2004-01-01

    Recent developments in lanthanum halide scintillators and low-resolution dense plastics give breadth to gamma-ray methods of nuclear material detection suitable for modern MC and A needs. Demanding goals for modernization of MC and A cover both portable and continuous on-line measurement applications that are quantitative for inventory/verification, and that serve those quantitative measurement needs plant-wide. Improved performance (sensitivity and reoslution) is important for portable applications in which a single detector must measure many types of materials. Budget is a major issue for continuous inventory measurements with hundreds or even thousands of detectors placed throughout a facility. Experimentally proven resolution of under 4% for 662 keV {sup 137}Cs gamma rays measured with large cerium-doped LaCl{sub 3} (lanthanum chloride) crystals set a new performance standard for versatile, efficient portable applications comparable in price to NaI(Tl), which has been dominant for decades. While the relatively high cost of crystals remains an obstacle for the application of very large numbers of lanthanum halide scintillators as distributed networked detectors, scintillators made from high-density plastic offer a different type of solution for these gamma-ray measurements. Compared to lanthanum halide crystals they are inexpensive and can be larger in size. Despite lower resolution than NaI(Tl), a quantitative interpretation of the photopeak response of the low-cost dense plastic detectors can be tailored to the unique mechanical and spectral properties of different materials at each of hundreds of fixed on-line locations in a plant. This paper describes the properties and presents experimental results for the two new spectrometer types that, together, bracket NaI(Tl) detectors in both performance and cost, fulfilling modern demands for portable and continuous on-line accountability of uranium and plutonium.

  7. Preliminary shuttle structural dynamics modeling design study

    NASA Technical Reports Server (NTRS)

    1972-01-01

    The design and development of a structural dynamics model of the space shuttle are discussed. The model provides for early study of structural dynamics problems, permits evaluation of the accuracy of the structural and hydroelastic analysis methods used on test vehicles, and provides for efficiently evaluating potential cost savings in structural dynamic testing techniques. The discussion is developed around the modes in which major input forces and responses occur and the significant structural details in these modes.

  8. Large space erectable structures - building block structures study

    NASA Technical Reports Server (NTRS)

    Armstrong, W. H.; Skoumal, D. E.; Straayer, J. W.

    1977-01-01

    A modular planar truss structure and a long slender boom concept identified as building block approaches to construction of large spacecraft configurations are described. The concepts are compatible in weight and volume goals with the Space Transportation System, use standard structural units, and represent high on-orbit productivity in terms of structural area or beam length. Results of structural trade studies involving static and dynamic analyses of a single module and rigid body deployment analyses to assess kinetics and kinematics of automatic deployment of the building block modules are presented.

  9. Emotion Regulation of Neuroticism: Emotional Information Processing Related to Psychosomatic State Evaluated by Electroencephalography and Exact Low-Resolution Brain Electromagnetic Tomography.

    PubMed

    Ikeda, Shunichiro; Mizuno-Matsumoto, Yuko; Canuet, Leonides; Ishii, Ryouhei; Aoki, Yasunori; Hata, Masahiro; Katsimichas, Themistoklis; Pascual-Marqui, Roberto D; Hayashi, Takuto; Okamoto, Eika; Asakawa, Tetsuya; Iwase, Masao; Takeda, Masatoshi

    2015-02-27

    Emotion regulation is the process that adjusts the type or amount of emotion when we experience an emotional situation. The aim of this study was to reveal quantitative changes in brain activity during emotional information processing related to psychosomatic states and to determine electrophysiological features of neuroticism. Twenty-two healthy subjects (mean age 25 years, 14 males and 8 females) were registered. Electroencephalography (EEG) was measured during an emotional audiovisual memory task under three conditions (neutral, pleasant and unpleasant sessions). We divided the subjects into two groups using the Cornell Medical Index (CMI): (CMI-I: control group, n = 10: CMI-II, III or IV: neuroticism group, n = 12). We analyzed the digital EEG data using exact low-resolution brain electromagnetic tomography (eLORETA) current source density (CSD) and functional connectivity analysis in several frequency bands (δ, θ, α, β, γ and whole band). In all subjects, bilateral frontal α CSD in the unpleasant session increased compared to the pleasant session, especially in the control group (p < 0.05). CSD of the neuroticism group was significantly higher than that of the control group in the full band at the amygdala and inferior temporal gyrus, and in the α band at the right temporal lobe (p < 0.05). Additionally, we found an increase in functional connectivity between the left insular cortex and right superior temporal gyrus in all subjects during the unpleasant session compared to the pleasant session (p < 0.05). In this study, using EEG analysis, we could find a novel cortical network related to brain mechanisms underlying emotion regulation. Overall findings indicate that it is possible to characterize neuroticism electrophysiologically, which may serve as a neurophysiological marker of this personality trait. © 2015 S. Karger AG, Basel.

  10. Spitzer/infrared spectrograph investigation of mipsgal 24 μm compact bubbles: low-resolution observations

    SciTech Connect

    Nowak, M.; Flagey, N.; Noriega-Crespo, A.; Carey, S. J.; Van Dyk, S. D.; Billot, N.; Paladini, R.

    2014-12-01

    We present Spitzer/InfraRed Spectrograph (IRS) low-resolution observations of 11 compact circumstellar bubbles from the MIPSGAL 24 μm Galactic plane survey. We find that this set of MIPSGAL bubbles (MBs) is divided into two categories and that this distinction correlates with the morphologies of the MBs in the mid-infrared (IR). The four MBs with central sources in the mid-IR exhibit dust-rich, low-excitation spectra, and their 24 μm emission is accounted for by the dust continuum. The seven MBs without central sources in the mid-IR have spectra dominated by high-excitation gas lines (e.g., [O IV] 26.0 μm, [Ne V] 14.3 and 24.3 μm, and [Ne III] 15.5 μm), and the [O IV] line accounts for 50% to almost 100% of the 24 μm emission in five of them. In the dust-poor MBs, the [Ne V] and [Ne III] line ratios correspond to high-excitation conditions. Based on comparisons with published IRS spectra, we suggest that the dust-poor MBs are highly excited planetary nebulae (PNs) with peculiar white dwarfs (e.g., Wolf-Rayet [WR] and novae) at their centers. The central stars of the four dust-rich MBs are all massive star candidates. Dust temperatures range from 40 to 100 K in the outer shells. We constrain the extinction along the lines of sight from the IRS spectra. We then derive distance, dust masses, and dust production rate estimates for these objects. These estimates are all consistent with the nature of the central stars. We summarize the identifications of MBs made to date and discuss the correlation between their mid-IR morphologies and natures. Candidate Be/B[e]/luminous blue variable and WR stars are mainly 'rings' with mid-IR central sources, whereas PNs are mostly 'disks' without mid-IR central sources. Therefore we expect that most of the 300 remaining unidentified MBs will be classified as PNs.

  11. Design and construction progress of LRS2-B: a new low resolution integral-field spectrograph for the Hobby-Eberly Telescope

    NASA Astrophysics Data System (ADS)

    Chonis, Taylor S.; Lee, Hanshin; Hill, Gary J.; Cornell, Mark E.; Tuttle, Sarah E.; Vattiat, Brian L.

    2012-09-01

    The upcoming Wide-Field Upgrade (WFU) has ushered in a new era of instrumentation for the Hobby-Eberly Telescope (HET). Here, we present the design, construction progress, and lab tests completed to date of the blue-optimized second generation Low Resolution Spectrograph (LRS2-B). LRS2-B is a dual-channel, fiber fed instrument that is based on the design of the Visible Integral Field Replicable Unit Spectrograph (VIRUS), which is the new flagship instrument for carrying out the HET Dark Energy eXperiment (HETDEX). LRS2-B utilizes a microlens-coupled integral field unit (IFU) that covers a 7"x12" area on the sky having unity fill-factor with ~300 spatial elements that subsample the median HET image quality. The fiber feed assembly includes an optimized dichroic beam splitter that allows LRS2-B to simultaneously observe 370 <λ(nm) < 470 and 460 < λ(nm) < 700 at fixed resolving powers of R ≍ λ/Δλ ≍ 1900 and 1200, respectively. We discuss the departures from the nominal VIRUS design, which includes the IFU, fiber feed, camera correcting optics, and volume phase holographic grisms. Additionally, the motivation for the selection of the wavelength coverage and spectral resolution of the two channels is briefly discussed. One such motivation is the follow-up study of spectrally and (or) spatially resolved Lyα emission from z ≍ 2.5 star-forming galaxies in the HETDEX survey. LRS2-B is planned to be a commissioning instrument for the HET WFU and should be on-sky during quarter 4 of 2013. Finally, we mention the current state of LRS2-R, the red optimized sister instrument of LRS2-B.

  12. Nuclear structure studies with intermediate energy probes

    SciTech Connect

    Lee, T.S.H.

    1993-10-01

    Nuclear structure studies with pions are reviewed. Results from a recent study of 1 p-shell nuclei using (e,e{prime}), ({pi}, {pi}{prime}), and ({gamma},{pi}) reactions are reported. Future nuclear structure studies with GeV electrons at CEBAF are also briefly discussed.

  13. Overview of nucleon structure studies

    SciTech Connect

    Marc Vanderhaeghen

    2007-06-08

    A brief overview of the recent activity in the measurement of the elastic electromagnetic proton and neutron form factors is presented. It is discussed how the quality of the data has been greatly improved by performing double polarization experiments, and the role of two-photon exchange processes will be highlighted. The spatial information on the quark charge distribibutions in the nucleon resulting from the form factors measurements will be discussed, as well as the steady rate of improvements made in the lattice QCD calculations. It is discussed how generalized parton distributions have emerged as a unifying theme in hadron physics linking the spatial densities extracted from form factors with the quark momentum distribution information residing in quark structure functions. The recent progress in the electromagnetic excitation of the $\\Delta(1232)$ resonance will also briefly be discussed.

  14. Mississippi Curriculum Structure: Social Studies.

    ERIC Educational Resources Information Center

    Mississippi State Dept. of Education, Jackson.

    This curriculum guide sets forth what the Mississippi State Board of Education believes should be the outcomes of social studies education in the public schools. For each of the grades K-8, and for each of the courses taught at the 9-12 grade levels, an overarching goal statement is listed. For example, for kindergarten, the goal statement is: the…

  15. The Qartaba Structure (Mount Lebanon): structural study and modeling

    NASA Astrophysics Data System (ADS)

    Asmar, Chloé; Grasemann, Bernhard; Tari, Gabor

    2014-05-01

    The prominent Qartaba Anticline is located on the western side of the northern Mount Lebanon, one of the major physiographic elements in Lebanon. The studied part of this anticline (~20 km long, ~5 km wide) represents a large-scale box-fold structure bounded by two SW- and NE-vergent monoclines. The aim of the structural study on the Qartaba Anticline was to get a better understanding on the poorly known mechanism and timing of folding of the structure. The main data elements used in this study included vintage geologic maps, very high-resolution satellite images, a satellite-based Digital Elevation Model and numerous field measurements taken during several field trips in the Mount Lebanon area. The database was incorporated into an ArcGis platform in order to carry out quantitative remote sensing analysis to have a better three-dimensional understanding of the geometry of the Qartaba structure and to model it. Using the Three-Point-Method that was developed on a MatLab platform and adapted into an ArcGis toolbox, it was possible to determine dip and dip direction of the folded strata of the Qartaba Structure in order to build additional input data points besides the field observations. The results from the ArcGis Model show that the eastern and western flanks of the anticline represent oppositely verging monoclines with average dip values increasing from about 15° at the outer limits of the structure to 30° closer to the center area and reaching values up to almost 90° at the steepest part of the eastern flank. The strata become more or less horizontal on the top of the structure, just a few hundred meters away from the limbs of the anticline. Therefore, the whole structure resembles a large scale box-fold. The structural model of the Qartaba Anticline presents new constraints on the timing and the mechanism of deformation of the structure. This new model has important implications for the tectonic evolution of Lebanon, for example, the footprint of the Syrian

  16. Electromagnetic studies of nuclear structure and reactions

    SciTech Connect

    Hersman, F.W.; Dawson, J.F.; Heisenberg, J.H.; Calarco, J.R.

    1990-06-01

    This report contains papers on the following topics: giant resonance studies; deep inelastic scattering studies; high resolution nuclear structure work; and relativistic RPA; and field theory in the Schroedinger Representation.

  17. Experimental Study of Nucleon Structure and QCD

    SciTech Connect

    Jian-Ping Chen

    2012-03-01

    Overview of Experimental Study of Nucleon Structure and QCD, with focus on the spin structure. Nucleon (spin) Structure provides valuable information on QCD dynamics. A decade of experiments from JLab yields these exciting results: (1) valence spin structure, duality; (2) spin sum rules and polarizabilities; (3) precision measurements of g{sub 2} - high-twist; and (4) first neutron transverse spin results - Collins/Sivers/A{sub LT}. There is a bright future as the 12 GeV Upgrade will greatly enhance our capability: (1) Precision determination of the valence quark spin structure flavor separation; and (2) Precision extraction of transversity/tensor charge/TMDs.

  18. (High-pressure structural studies of promethium)

    SciTech Connect

    Haire, R.G.

    1988-11-15

    The primary object of the foreign travel was to carry out collaborative high-pressure structural studies at the European Institute for Transuranium Elements (EITU), Karlsruhe, Federal Republic of Germany. These studies reestablished previous collaborative investigations by ORNL and EITU that have been very productive scientifically during the past few years. The study during the present travel period was limited to a structural study of promethium metal under pressure.

  19. Structures performance, benefit, cost-study

    NASA Technical Reports Server (NTRS)

    Woike, O. G.; Salemme, C.; Stearns, E.; Oritz, P.; Roberts, M. L.; Baughman, J. L.; Johnston, R. P.; Demel, H. F.; Stabrylla, R. G.; Coffinberry, G. A.

    1981-01-01

    New technology concepts and structural analysis development needs which could lead to improved life cycle cost for future high-bypass turbofans were studied. The NASA-GE energy efficient engine technology is used as a base to assess the concept benefits. Recommended programs are identified for attaining these generic structural and other beneficial technologies.

  20. Shape and Albedo from Shading (SAfS) for Pixel-Level dem Generation from Monocular Images Constrained by Low-Resolution dem

    NASA Astrophysics Data System (ADS)

    Wu, Bo; Chung Liu, Wai; Grumpe, Arne; Wöhler, Christian

    2016-06-01

    ) Narrow Angle Camera (NAC) (0.5 m spatial resolution), constrained by the SELENE and LRO Elevation Model (SLDEM 2015) of 60 m spatial resolution. The results indicate that local details are largely recovered by the algorithm while low frequency topographic consistency is affected by the low-resolution DEM.

  1. Structural Studies of Biological Solids Using NMR

    NASA Astrophysics Data System (ADS)

    Ramamoorthy, Ayyalusamy

    2011-03-01

    High-resolution structure and dynamics of biological molecules are important in understanding their function. While studies have been successful in solving the structures of water-soluble biomolecules, it has been proven difficult to determine the structures of membrane proteins and fibril systems. Recent studies have shown that solid-state NMR is a promising technique and could be highly valuable in studying such non-crystalline and non-soluble biosystems. I will present strategies to study the structures of such challenging systems and also about the applications of solid-state NMR to study the modes of membrane-peptide interactions for a better assessment of the prospects of antimicrobial peptides as substitutes to antibiotics in the control of human disease. Our studies on the mechanism of membrane disruption by LL-37 (a human antimicrobial peptide), analogs of the naturally occurring antimicrobial peptide magainin2 extracted from the skin of the African frog Xenopus Laevis, and pardaxin will be presented. Solid-state NMR experiments were used to determine the secondary structure, dynamics and topology of these peptides in lipid bilayers. Similarities and difference in the cell-lysing mechanism, and their dependence on the membrane composition, of these peptides will be discussed. Atomic-level resolution NMR structures of amyloidogenic proteins revealing the misfolding pathway and early intermediates that play key roles in amyloid toxicity will also be presented.

  2. Dynamic Study of Bicycle Frame Structure

    NASA Astrophysics Data System (ADS)

    Sani, M. S. M.; Nazri, N. A.; Zahari, S. N.; Abdullah, N. A. Z.; Priyandoko, G.

    2016-11-01

    Bicycle frames have to bear variety of loads and it is needed to ensure the frame can withstand dynamic loads to move. This paper focusing on dynamic study for bicycle frame structure with a purpose to avoid the problem regarding loads on the structure and to ensure the structure is safe when multiple loads are applied on it. The main objectives of dynamic study are to find the modal properties using two method; finite element analysis (FEA) and experimental modal analysis (EMA). The correlation between two studies will be obtained using percentage error. Firstly, 3D model of mountain bike frame structure has been draw using computer-aided design (CAD) software and normal mode analysis using MSC Nastran Patran was executed for numerical method meanwhile modal testing using impact hammer was performed for experimental counterpart. From the correlation result, it show that percentage error between FEA and EMA were below 10% due to noise, imperfect experiment setup during perform EMA and imperfect modeling of mountain bike frame structure in CAD software. Small percentage error differences makes both of the method can be applied to obtain the dynamic characteristic of structure. It is essential to determine whether the structure is safe or not. In conclusion, model updating method is required to reduce more percentage error between two results.

  3. Thermostabilisation of membrane proteins for structural studies

    PubMed Central

    Magnani, Francesca; Serrano-Vega, Maria J.; Shibata, Yoko; Abdul-Hussein, Saba; Lebon, Guillaume; Miller-Gallacher, Jennifer; Singhal, Ankita; Strege, Annette; Thomas, Jennifer A.; Tate, Christopher G.

    2017-01-01

    The thermostability of an integral membrane protein in detergent solution is a key parameter that dictates the likelihood of obtaining well-diffracting crystals suitable for structure determination. However, many mammalian membrane proteins are too unstable for crystallisation. We developed a thermostabilisation strategy based on systematic mutagenesis coupled to a radioligand-binding thermostability assay that can be applied to receptors, ion channels and transporters. It takes approximately 6-12 months to thermostabilise a G protein-coupled receptor (GPCR) containing 300 amino acid residues. The resulting thermostabilised membrane proteins are more easily crystallised and result in high-quality structures. This methodology has facilitated structure-based drug design applied to GPCRs, because it is possible to determine multiple structures of the thermostabilised receptors bound to low affinity ligands. Protocols and advice are given on how to develop thermostability assays for membrane proteins and how to combine mutations to make an optimally stable mutant suitable for structural studies. PMID:27466713

  4. Electromagnetic studies of nucleon and nuclear structure

    SciTech Connect

    Heisenberg, J.H.; Calarco, J.R.; Hersman, F.W.; Dawson, J.F.

    1993-06-01

    Important objectives of the group are the study of subatomic structure through experimental measurements and the interpretation of the data through modeling. The common theme that unifies the studies of strong interactions and hadronic systems is the effort to determine the electromagnetic response as completely as possible. The general approach is coincidence detection of exclusive final states and determination of the dependence on the spin variables using polarized beams and targets and outgoing nucleon polarimetry. Direct reaction and giant resonance studies of electron quasi-elastic scattering on {sup 12}C and {sup 16}O are reported, as well as work on nuclear structure models and instrumentation development.

  5. High-resolution parallel phase-shifting digital holography using a low-resolution phase-shifting array device based on image inpainting.

    PubMed

    Jiao, Shuming; Zou, Wenbin

    2017-02-01

    Parallel phase-shifting digital holography can record high-quality holograms efficiently from fast-moving objects in a dynamic scene. However, a phase-shifting array device with a cell size identical to image sensors is required, which imposes difficulty in practice. This Letter proposes a novel scheme to employ a low-resolution phase-shifting array device to achieve high-resolution parallel phase-shifting digital holography, based on image inpainting performed on incomplete holograms. The experimental results validate the effectiveness of the proposed scheme.

  6. Computer programs for the interpretation of low resolution mass spectra: Program for calculation of molecular isotopic distribution and program for assignment of molecular formulas

    NASA Technical Reports Server (NTRS)

    Miller, R. A.; Kohl, F. J.

    1977-01-01

    Two FORTRAN computer programs for the interpretation of low resolution mass spectra were prepared and tested. One is for the calculation of the molecular isotopic distribution of any species from stored elemental distributions. The program requires only the input of the molecular formula and was designed for compatability with any computer system. The other program is for the determination of all possible combinations of atoms (and radicals) which may form an ion having a particular integer mass. It also uses a simplified input scheme and was designed for compatability with any system.

  7. Boron Fullerenes: An Electronic Structure Study

    NASA Astrophysics Data System (ADS)

    Sadrzadeh, Arta; Pupysheva, Olga; Boustani, Ihsan; Yakobson, Boris

    2008-03-01

    Using ab initio calculations, we study electronic structure and frequency modes of B80, a member of boron fullerene family made from boron isomorphs of carbon fullerenes with additional atoms in the centers of hexagons. We also investigate geometrical and electronic structural properties of double-rings with various diameters, which are important as building blocks of boron nanotubes, and as the most stable clusters among the studied isomers with no more than 36 atoms. Double-rings also appear as building blocks of B80. Furthermore, we investigate the possibility of further stabilizing some of fullerenes by depleting them.

  8. Use of iterative OASIS with low resolution SAD laboratory X-ray source (Cr Kα) data sets

    NASA Astrophysics Data System (ADS)

    Selvanayagam, S.; Velmurugan, D.; Yamane, T.; Suzuki, A.

    2009-12-01

    Anomalous scattering methods are widely used for phasing macromolecular structures. OASIS program works on a direct methods procedure and is used to break the phase ambiguity intrinsic in a single wavelength anomalous diffraction (SAD) experiment. An iterative phasing/model-building procedure for processing SAD data includes the initial direct method phasing of SAD data, density modification, automatic model building and direct methods phasing of SAD data with feed back from partial structure information. This dual-space procedure has been tested on two experimental Cr Kα SAD data sets, 2.3 Å for S-SAD and 2.4 Å for I-SAD, of an enzyme glucose isomerase with an approximate molecular weight of 44 kDa (388 residues). HYSS in PHENIX was used to locate the anomalous scatterers for both the data sets (11 sulfurs for 2.3 Å data and 9 iodines for 2.4 Å data). Phasing and density modification were carried out using OASIS, DM and model building was then carried out using ARP/wARP. Two iterative cycles were necessary for the successful structure solution and refinement of the 2.3 Å data set which built 384 residues out of 388. Regular ARP/wARP failed for the 2.4 Å resolution data and hence the modified version of REFMAC5 was used in ARP/wARP. A successful model could be built after three iterative cycles of OASIS using this modified version which built 382 residues out of 388 residues. Minimal manual model building was required at this stage and the structure determination was completed using regular REFMAC5. All the computations mentioned here were carried out using Pentium IV PC.

  9. RNA synthesis and purification for structural studies.

    PubMed

    Ahmed, Yasar Luqman; Ficner, Ralf

    2014-01-01

    RNAs play pivotal roles in the cell, ranging from catalysis (e.g., RNase P), acting as adaptor molecule (tRNA) to regulation (e.g., riboswitches). Precise understanding of its three-dimensional structures has given unprecedented insight into the molecular basis for all of these processes. Nevertheless, structural studies on RNA are still limited by the very special nature of this polymer. The most common methods for the determination of 3D RNA structures are NMR and X-ray crystallography. Both methods have their own set of requirements and give different amounts of information about the target RNA. For structural studies, the major bottleneck is usually obtaining large amounts of highly pure and homogeneously folded RNA. Especially for X-ray crystallography it can be necessary to screen a large number of variants to obtain well-ordered single crystals. In this mini-review we give an overview about strategies for the design, in vitro production, and purification of RNA for structural studies.

  10. IMPROVING THE ACCURACY OF HISTORIC SATELLITE IMAGE CLASSIFICATION BY COMBINING LOW-RESOLUTION MULTISPECTRAL DATA WITH HIGH-RESOLUTION PANCHROMATIC DATA

    SciTech Connect

    Getman, Daniel J

    2008-01-01

    Many attempts to observe changes in terrestrial systems over time would be significantly enhanced if it were possible to improve the accuracy of classifications of low-resolution historic satellite data. In an effort to examine improving the accuracy of historic satellite image classification by combining satellite and air photo data, two experiments were undertaken in which low-resolution multispectral data and high-resolution panchromatic data were combined and then classified using the ECHO spectral-spatial image classification algorithm and the Maximum Likelihood technique. The multispectral data consisted of 6 multispectral channels (30-meter pixel resolution) from Landsat 7. These data were augmented with panchromatic data (15m pixel resolution) from Landsat 7 in the first experiment, and with a mosaic of digital aerial photography (1m pixel resolution) in the second. The addition of the Landsat 7 panchromatic data provided a significant improvement in the accuracy of classifications made using the ECHO algorithm. Although the inclusion of aerial photography provided an improvement in accuracy, this improvement was only statistically significant at a 40-60% level. These results suggest that once error levels associated with combining aerial photography and multispectral satellite data are reduced, this approach has the potential to significantly enhance the precision and accuracy of classifications made using historic remotely sensed data, as a way to extend the time range of efforts to track temporal changes in terrestrial systems.

  11. CARMENES science preparation: characterisation of M dwarfs with low-resolution spectroscopy and search for low-mass wide companions to young stars

    NASA Astrophysics Data System (ADS)

    Alonso-Floriano, F. J.

    2015-11-01

    This thesis is focused on the study of low-mass objects that can be targets of exoplanet searches with near-infrared spectrographs in general and CARMENES (Calar Alto high-Resolution search for M dwarfs with Exo-earths with Near-infrared and optical Echelle Spectrographs; see Quirrenbach et al. 2014) in particular. The CARMENES consortium comprises 11 institutions from Germany and Spain that are building a high-resolution spectrograph (R=82,000) with two channels, visible (0.55 - 1.05 um) and infrared (0.95 - 1.7 um), for the 3.5 m Calar Alto telescope. It will observe a sample of 300 M dwarfs in 600 nights of guaranteed time during at least three years, starting in January 2016. The final sample will be chosen from the 2200 M dwarfs included in the CARMENCITA input catalogue. For these stars, we have obtained and collected a large amount of data: spectral types, radial and rotational velocities, photometry in several bands, etc. Part of the e effort of the science preparation necessary for the final selection of targets for CARMENES and other near-infrared spectrographs has been collected in two publications, which are presented in this PhD thesis. In the first publication (Alonso-Floriano et al., 2015A&A...577A.128A), we obtained low-resolution spectra for 753 stars using the CAFOS spectrograph at the 2.2 m Calar Alto telescope. The main goal was to derive accurate spectral types, which are fundamental parameters for the sample selection. We used a grid of 49 standard stars, from spectral types K3V to M8V, together with a double least-square minimisation technique and 31 spectral indices previously defined by other authors. In addition, we quantified the surface gravity, metallicity and chromospheric activity of the sample, in order to detect low-gravity stars (giants and very young), metal-poor and very metal-poor stars (subdwarfs), and very active stars. In the second publication (Alonso-Floriano et al., 2015A&A...583A..85A), we searched for common proper

  12. Structural studies on leukaemia inhibitory factor

    SciTech Connect

    Norton, R.S.; Maurer, T.; Smith, D.K.; Nicola, N.A.

    1994-12-01

    Leukaemia Inhibitory Factor (LIF) is a pleiotropic cytokine that acts on a wide range of target cells, including mega-karyocytes, osteoblasts, hepatocytes, adipocytes, neurons, embryonic stem cells, and primordial germ cells. Many of its activities are shared with other cytokines, particularly interleukin-6, oncostatin-M, ciliary neurotrophic factor, and granulocyte colony-stimulating factor (G-CSF). Although secreted in vivo as a glycoprotein, nonglycosylated recombinant protein expressed in E. coli is fully active and has been used in our nuclear magnetic resonance (NMR) studies of the three-dimensional structure and structure-function relationships of LIF. With 180 amino acids and a molecular mass of about 20 kDa, OF is too large for direct structure determination by two-dimensional and three-dimensional {sup 1}HNMR. It is necessary to label the protein with the stable isotopes {sup 15}N and {sup 13}C and employ heteronuclear three-dimensional NMR in order to resolve and interpret the spectral information required for three-dimensional structure determination. This work has been undertaken with both human LIF and a mouse-human chimaera that binds to the human LIF receptor with the same affinity as the human protein and yet expresses in E. coli at much higher levels. Sequence-specific resonance assignments and secondary structure elements for these proteins will be presented and progress towards determination of their three-dimensional structures described.

  13. Experimental and computational study of thaumasite structure

    SciTech Connect

    Scholtzová, Eva; Kucková, Lenka; Kožíšek, Jozef; Pálková, Helena; Tunega, Daniel

    2014-05-01

    The structure of thaumasite has been studied experimentally by means of a single crystal X-ray diffraction and FTIR methods, and theoretically using density functional theory (DFT) method. Very good agreement was achieved between calculated and experimental structural parameters. In addition, calculations offered the refinement of the positions of the hydrogen atoms. The detailed analysis of the hydrogen bonds existing in the thaumasite structure has been performed. Several types of hydrogen bonds have been classified. The water molecules coordinating Ca{sup 2+} cation act as proton donors in moderate O-H···O hydrogen bonds formed with CO₃⁻²and SO₄⁻² anions. The multiple O-H···O hydrogen bonds exist among water molecules themselves. Finally, relatively weak hydrogen bonds form water molecules with the OH groups from the coordination sphere of the Si(OH)₆⁻² anion. Further, calculated vibrational spectrum allowed complete assignment of all vibrational modes which are not available from the experimental spectrum that has a complex structure with overlapped bands, especially below 1500 cm⁻¹. Highlights: • The thaumasite structure was studied experimentally and using DFT method. • We used DFT method for the refinement of the positions of hydrogen atoms. • A detailed analysis of the hydrogen bonds was done. • A complete assignment of all bands to particular types of vibrations was done.

  14. Revolutionary opportunities for materials and structures study

    SciTech Connect

    Schweiger, F.A.

    1987-02-01

    The revolutionary opportunities for materials and structures study was performed to provide Government and Industry focus for advanced materials technology. Both subsonic and supersonic engine studies and aircraft fuel burn and DOC evaluation are examined. Year 2010 goal materials were used in the advanced engine studies. These goal materials and improved component aero yielded subsonic fuel burn and DOC improvements of 13.4 percent and 5 percent, respectively and supersonic fuel burn and DOC improvements of 21.5 percent and 18 percent, respectively. Conclusions are that the supersonic study engine yielded fuel burn and DOC improvements well beyond the program goals; therefore, it is appropriate that advanced material programs be considered.

  15. Revolutionary opportunities for materials and structures study

    NASA Technical Reports Server (NTRS)

    Schweiger, F. A.

    1987-01-01

    The revolutionary opportunities for materials and structures study was performed to provide Government and Industry focus for advanced materials technology. Both subsonic and supersonic engine studies and aircraft fuel burn and DOC evaluation are examined. Year 2010 goal materials were used in the advanced engine studies. These goal materials and improved component aero yielded subsonic fuel burn and DOC improvements of 13.4 percent and 5 percent, respectively and supersonic fuel burn and DOC improvements of 21.5 percent and 18 percent, respectively. Conclusions are that the supersonic study engine yielded fuel burn and DOC improvements well beyond the program goals; therefore, it is appropriate that advanced material programs be considered.

  16. Hydroelectric structures studies using 3-dimensional methods

    SciTech Connect

    Harrell, T.R.; Jones, G.V.; Toner, C.K. )

    1989-01-01

    Deterioration and degradation of aged, hydroelectric project structures can significantly affect the operation and safety of a project. In many cases, hydroelectric headworks (in particular) have complicated geometrical configurations, loading patterns and hence, stress conditions. An accurate study of such structures can be performed using 3-dimensional computer models. 3-D computer models can be used for both stability evaluation and for finite element stress analysis. Computer aided engineering processes facilitate the use of 3-D methods in both pre-processing and post-processing of data. Two actual project examples are used to emphasize the authors' points.

  17. Structural Studies of Protein-Surfactant Complexes

    SciTech Connect

    Chodankar, S. N.; Aswal, V. K.; Wagh, A. G.

    2008-03-17

    The structure of protein-surfactant complexes of two proteins bovine serum albumin (BSA) and lysozyme in presence of anionic surfactant sodium dodecyl sulfate (SDS) has been studied using small-angle neutron scattering (SANS). It is observed that these two proteins form different complex structures with the surfactant. While BSA protein undergoes unfolding on addition of surfactant, lysozyme does not show any unfolding even up to very high surfactant concentrations. The unfolding of BSA protein is caused by micelle-like aggregation of surfactant molecules in the complex. On the other hand, for lysozyme protein there is only binding of individual surfactant molecules to protein. Lysozyme in presence of higher surfactant concentrations has protein-surfactant complex structure coexisting with pure surfactant micelles.

  18. Structural Alphabets for Protein Structure Classification: a Comparison Study

    PubMed Central

    Le, Quan; Pollastri, Gianluca; Koehl, Patrice

    2009-01-01

    Finding structural similarities between proteins often helps revealing shared functionality which otherwise might not be detected by native sequence information alone. Such similarity is usually detected and quantified by protein structure alignment. Determining the optimal alignment between two protein structures remains however a hard problem. An alternative approach is to approximate each protein 3D structure using a sequence of motifs derived from a structural alphabet. Using this approach, structure comparison is performed by comparing the corresponding motif sequences, or structural sequences. In this paper, we measure the performance of such alphabets in the context of the protein structure classification problem. We consider both local and global structural sequences. Each letter of a local structural sequence corresponds to the best matching fragment to the corresponding local segment of the protein structure. The global structural sequence is designed to generate the best possible complete chain that matches the full protein structure. We use an alphabet of 20 letters, corresponding to a library of 20 motifs or protein fragments of size 4 residues. We show that the global structural sequences approximate well the native structures of proteins, with an average cRMS of 0.69 Å over 2225 test proteins. The approximation is best for all α-proteins, while relatively poorer for all β-proteins. We then test the performance of four different sequence representations of proteins (their native sequence, the sequence of their secondary structure elements, and the local and global structural sequences based on our fragment library) with different classifiers in their ability to classify proteins that belong to five distinct folds of CATH. Without surprise, the primary sequence alone performs poorly as a structure classifier. We show that addition of either secondary structure information or local information from the structural sequence considerably improves the

  19. The structure of circumstellar shells

    NASA Technical Reports Server (NTRS)

    Fix, John D.

    1993-01-01

    This document provides a report on research activities carried out with the support of NASA grant NAG 5-1174, the Structure of Circumstellar Shells, funded under the Astrophysics Data Program. The research carried out with the support of this grant is a study of the properties of circumstellar dust shells for which spectra are available through IRAS low resolution spectrometry (LRS). This research consisted of the development and application of models of axisymmetric circumstellar shells and a preliminary survey of the applicability of neural nets for analysis of the IRAS LRS spectra of circumstellar dust shells.

  20. Studies of Flame Structure in Microgravity

    NASA Technical Reports Server (NTRS)

    Law, C. K.; Sung, C. J.; Zhu, D. L.

    1997-01-01

    The present research endeavor is concerned with gaining fundamental understanding of the configuration, structure, and dynamics of laminar premixed and diffusion flames under conditions of negligible effects of gravity. Of particular interest is the potential to establish and hence study the properties of spherically- and cylindrically-symmetric flames and their response to external forces not related to gravity. For example, in an earlier experimental study of the burner-stabilized cylindrical premixed flames, the possibility of flame stabilization through flow divergence was established, while the resulting one-dimensional, adiabatic, stretchless flame also allowed an accurate means of determining the laminar flame speeds of combustible mixtures. We have recently extended our studies of the flame structure in microgravity along the following directions: (1) Analysis of the dynamics of spherical premixed flames; (2) Analysis of the spreading of cylindrical diffusion flames; (3) Experimental observation of an interesting dual luminous zone structure of a steady-state, microbuoyancy, spherical diffusion flame of air burning in a hydrogen/methane mixture environment, and its subsequent quantification through computational simulation with detailed chemistry and transport; (4) Experimental quantification of the unsteady growth of a spherical diffusion flame; and (5) Computational simulation of stretched, diffusionally-imbalanced premixed flames near and beyond the conventional limits of flammability, and the substantiation of the concept of extended limits of flammability. Motivation and results of these investigations are individually discussed.

  1. Structure of giant muscle proteins

    PubMed Central

    Meyer, Logan C.; Wright, Nathan T.

    2013-01-01

    Giant muscle proteins (e.g., titin, nebulin, and obscurin) play a seminal role in muscle elasticity, stretch response, and sarcomeric organization. Each giant protein consists of multiple tandem structural domains, usually arranged in a modular fashion spanning 500 kDa to 4 MDa. Although many of the domains are similar in structure, subtle differences create a unique function of each domain. Recent high and low resolution structural and dynamic studies now suggest more nuanced overall protein structures than previously realized. These findings show that atomic structure, interactions between tandem domains, and intrasarcomeric environment all influence the shape, motion, and therefore function of giant proteins. In this article we will review the current understanding of titin, obscurin, and nebulin structure, from the atomic level through the molecular level. PMID:24376425

  2. On the direct determination of three-dimensional crystallographic phases at low resolution: crambin at 6 A.

    PubMed

    Dorset, D L

    2000-04-11

    Using a pseudo-atom approach, the three-dimensional crystallographic phases for the protein crambin (a = 40.76, b = 18.49, c = 22.33 A, beta = 90.61 degrees, space group P2(1)) were determined to 6 A by direct methods. First, the centrosymmetric h0l set was assigned phases by symbolic addition, and the initial solution was then refined by Fourier methods. Phase values of strong reflections were then permuted, and the decision to change the phase value for two of these was made by consulting a cross-correlation of the experimental density histogram to the theoretical or known histogram for the protein. The two-dimensional basis was then extended by the Sayre equation into three dimensions by assigning a phase to a third allowed hkl origin-defining reflection and an algebraic value to another axial reflection. The correct solution was again identified by the histogram correlation, yielding a solution in which the mean phase error for all 98 reflections was 61.5 degrees or 23.1 degrees for the 21 most intense reflections. A parallel study with another protein indicates this method may have general utility.

  3. On the direct determination of three-dimensional crystallographic phases at low resolution: Crambin at 6 Å

    PubMed Central

    Dorset, Douglas L.

    2000-01-01

    Using a pseudo-atom approach, the three-dimensional crystallographic phases for the protein crambin (a = 40.76, b = 18.49, c = 22.33 Å, β = 90.61°, space group P21) were determined to 6 Å by direct methods. First, the centrosymmetric h0ℓ set was assigned phases by symbolic addition, and the initial solution was then refined by Fourier methods. Phase values of strong reflections were then permuted, and the decision to change the phase value for two of these was made by consulting a cross-correlation of the experimental density histogram to the theoretical or known histogram for the protein. The two-dimensional basis was then extended by the Sayre equation into three dimensions by assigning a phase to a third allowed hkℓ origin-defining reflection and an algebraic value to another axial reflection. The correct solution was again identified by the histogram correlation, yielding a solution in which the mean phase error for all 98 reflections was 61.5° or 23.1° for the 21 most intense reflections. A parallel study with another protein indicates this method may have general utility. PMID:10725378

  4. LAMOST Observations in the Kepler Field. Analysis of the Stellar Parameters Measured with LASP Based on Low-resolution Spectra

    NASA Astrophysics Data System (ADS)

    Ren, Anbing; Fu, Jianning; De Cat, Peter; Wu, Yue; Yang, Xiaohu; Shi, Jianrong; Luo, Ali; Zhang, Haotong; Dong, Subo; Zhang, Ruyuan; Zhang, Yong; Hou, Yonghui; Wang, Yuefei; Cao, Zihuang; Du, Bing

    2016-08-01

    All 14 subfields of the Kepler field were observed at least once with the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (lamost, Xinglong Observatory, China) during the 2012-2014 observation seasons. There are 88,628 reduced spectra with a signal-to-noise ratio in the g band (S/N g ) ≥ 6 after the first round (2012-2014) of observations of the lamost- Kepler project (LK-project). By adopting the upgraded version of the lamost Stellar Parameter pipeline (lasp), we have determined the atmospheric parameters ({T}{eff}, {log}g, and [Fe/H]) and heliocentric radial velocity v rad for 51,406 stars with 61,226 spectra. Compared with the atmospheric parameters derived from both high-resolution spectroscopy and asteroseismology for common stars in Huber et al., an external calibration of lasp atmospheric parameters was made, leading to the determination of the external errors for giants and dwarfs. Multiple spectroscopic observations of the same objects in the LK-project were used to estimate the internal uncertainties of the atmospheric parameters as a function of S/N g with the unbiased estimation method. The lasp atmospheric parameters were calibrated based on both the external and internal uncertainties for the giants and dwarfs. A general statistical analysis of the stellar parameters leads to the discovery of 106 candidate metal-poor stars, 9 candidate very metal-poor stars, and 18 candidate high-velocity stars. Fitting formulae were obtained segmentally for both the calibrated atmospheric parameters of the LK-project and the Kepler Input Catalog (KIC) parameters with common stars. The calibrated atmospheric parameters and radial velocities of the LK-project will be useful for studying stars in the Kepler field. ) located at the Xinglong Observatory, China.

  5. Structural studies of the Sputnik virophage.

    PubMed

    Sun, Siyang; La Scola, Bernard; Bowman, Valorie D; Ryan, Christopher M; Whitelegge, Julian P; Raoult, Didier; Rossmann, Michael G

    2010-01-01

    The virophage Sputnik is a satellite virus of the giant mimivirus and is the only satellite virus reported to date whose propagation adversely affects its host virus' production. Genome sequence analysis showed that Sputnik has genes related to viruses infecting all three domains of life. Here, we report structural studies of Sputnik, which show that it is about 740 A in diameter, has a T=27 icosahedral capsid, and has a lipid membrane inside the protein shell. Structural analyses suggest that the major capsid protein of Sputnik is likely to have a double jelly-roll fold, although sequence alignments do not show any detectable similarity with other viral double jelly-roll capsid proteins. Hence, the origin of Sputnik's capsid might have been derived from other viruses prior to its association with mimivirus.

  6. High resolution studies of deep earth structure

    NASA Astrophysics Data System (ADS)

    Ding, Xiaoming

    1998-11-01

    Recent advances in seismic tomography has imaged major deep structure in the lower mantle. The ring of fast velocities originally derived from global long-period inversions has been resolved into interspersed sheet-like structure which appears to be old slabs. Beneath some of the structure, there are high velocity zones (HVZ) with variable thickness approaching the core mantle boundary (CMB). Seismic data recorded on TERRAscope and Berkeley Digital Seismic Network are used to study the HVZ beneath Central America. Modeling these waveforms (P, SV and SH) constitutes a major portion of this thesis. Two modeling strategies were employed in the thesis: (1) Assume a "Lay type" D ″ with a sharp velocity discontinuity; (2) Assume an upper transition zone approaching D″, and a lower transition zone approaching the CMB (old slabs). Our preferred model following strategy (1) (Chapter 2) has an S discontinuity 200 km above the CMB with 3% jump and a negative gradient in the D″ layer. In Chapter 4 the ULVZ beneath Iceland and Africa are addressed. The major phases used to study the ULVZ are SKS and SPdiffKS which travels along the CMB as P at both the core entry (SPdiffKS) and exit (SKPdiffS) locations. A major structure beneath Iceland (SKPdiffS) as identified from data recorded on stations in Northern Europe appears to be shaped like a dome, 80 km high, 200 km wide with a 10% drop in P and S velocities. The data for Africa is less complete but highly anomalous. Shear wave record sections across Africa and Europe containing the cross-over from S to SKS and extended core-phases (75° to 120°) are presented from deep South American events. By studying the various branches of the core phases PKP, it has become quite clear that North-South paths in the inner-core appear faster than East-West paths Moreover, the broadband seismograms associated with these paths are distinct. The reason for this difference is not known but suggests a lower (anisotropic) inner-core with an

  7. Women with type 2 diabetes mellitus have lower cortical porosity of the proximal femoral shaft using low-resolution CT than nondiabetic women, and increasing glucose is associated with reduced cortical porosity.

    PubMed

    Osima, Marit; Kral, Rita; Borgen, Tove T; Høgestøl, Ingvild K; Joakimsen, Ragnar M; Eriksen, Erik F; Bjørnerem, Åshild

    2017-04-01

    Increased cortical porosity has been suggested as a possible factor increasing fracture propensity in patients with type 2 diabetes mellitus (T2DM). This is a paradox because cortical porosity is generally associated with high bone turnover, while bone turnover is reduced in patients with T2DM. We therefore wanted to test the hypothesis that women with T2DM have lower bone turnover markers (BTM) and lower cortical porosity than those without diabetes, and that higher serum glucose and body mass index (BMI) are associated with lower BTM, and with lower cortical porosity. This cross-sectional study is based on a prior nested case-control study including 443 postmenopausal women aged 54-94years from the Tromsø Study, 211 with non-vertebral fracture and 232 fracture-free controls. Of those 443 participants, 22 women exhibited T2DM and 421 women did not have diabetes. All had fasting blood samples assayed for procollagen type I N-terminal propeptide (PINP), C-terminal cross-linking telopeptide of type I collagen (CTX) and glucose, and femoral subtrochanteric architecture was quantified using low-resolution clinical CT and StrAx1.0 software. Women with T2DM had higher serum glucose (7.2 vs. 5.3mmol/L), BMI (29.0 vs. 26.4kg/m(2)), and higher femoral subtrochanteric total volumetric bone mineral density (vBMD) (783 vs. 715mgHA/cm(3)), but lower cortical porosity (40.9 vs. 42.8%) than nondiabetic women (all p<0.05). Each standard deviation (SD) increment in glucose was associated with 0.10-0.12 SD lower PINP and CTX, and 0.13 SD lower cortical porosity (all p<0.05). Each SD increment in BMI was associated with 0.10-0.18 SD lower serum PINP and CTX, and 0.19 SD thicker cortices (all p<0.05). Increasing glucose and BMI were associated with lower bone turnover suggesting that reduced intracortical and endocortical remodeling leads to reduced porosity and thicker cortices. Using low-resolution clinical CT, cortical porosity was lower in women with T2DM compared to women

  8. Quantum mechanical studies of carbon structures

    SciTech Connect

    Bartelt, Norman Charles; Ward, Donald; Zhou, Xiaowang; Foster, Michael E.; Schultz, Peter A.; Wang, Bryan M.; McCarty, Kevin F.

    2015-10-01

    Carbon nanostructures, such as nanotubes and graphene, are of considerable interest due to their unique mechanical and electrical properties. The materials exhibit extremely high strength and conductivity when defects created during synthesis are minimized. Atomistic modeling is one technique for high resolution studies of defect formation and mitigation. To enable simulations of the mechanical behavior and growth mechanisms of C nanostructures, a high-fidelity analytical bond-order potential for the C is needed. To generate inputs for developing such a potential, we performed quantum mechanical calculations of various C structures.

  9. Structural study of supercooled liquid silicon

    SciTech Connect

    Kim, T.H.; Goldman, A.I.; Kelton, K.F.

    2007-11-06

    For many years, theoretical studies using model and ab initio potentials have predicated the existence of a liquid/liquid phase transition in silicon, based on a continuous change of the liquid A5 structure to A4. In contrast, we report here a quantitative analysis of data from high-energy X-ray diffraction measurements of containerlessly-processed supercooled liquid silicon that demonstrates that the fractions of regions with A5 and A4 order instead remain essentially constant with supercooling, but that the coherence length of the A5 order increases.

  10. Energetic and Structural Study of Diphenylpyridine Isomers

    NASA Astrophysics Data System (ADS)

    Rocha, Marisa A. A.; Gomes, Lígia R.; Low, John N.; Santos, Luís M. N. B. F.

    2009-09-01

    The energetic and structural study of three diphenylpyridine isomers is presented in detail. The three isomers, 2,6-, 2,5-, and 3,5-diphenylpyridines, were synthesized via Suzuki-Miyaura methodology based on palladium catalysis, and the crystal structures of the isomers were obtained by X-ray diffraction. The relative energetic stabilities in the condensed and gaseous phases as well as volatilities and structures of the three studied isomers were evaluated, regarding the position of the phenyl groups relative to the nitrogen atom of the pyridine ring. The temperature, standard molar enthalpies, and entropies of fusion were measured and derived by differential scanning calorimetry. The vapor pressures of the considered isomers were determined by a static apparatus based on a MKS capacitance diaphragm manometer. The standard molar enthalpies, entropies, and Gibbs energies of sublimation, at T = 298.15 K, were derived, and the phase diagram near the triple point coordinates were determined for all isomers. The standard (p° = 0.1 MPa) molar enthalpies of combustion of all crystalline isomers were determined, at T = 298.15 K, by static bomb combustion calorimetry. The standard molar enthalpies of formation, in the crystalline and gaseous phases, at T = 298.15 K, were derived. The experimental results for the energetics in the gaseous phase of the three compounds were compared and assessed with the values obtained by ab initio calculations at different levels of theory (DFT and MP2) showing that, at this level of theory, the computational methods underestimate the energetic stability, in the gaseous phase, for these molecules. In order to understand the aromaticity in the central ring of each isomer, calculations of NICS (B3LYP/6-311G++(d,p) level of theory) values on the pyridine ring were also performed.

  11. Micromechanical study of mitotic chromosome structure

    NASA Astrophysics Data System (ADS)

    Marko, John

    2011-03-01

    Our group has developed micromanipulation techniques for study of the highly compacted mitotic form of chromosome found in eukaryote cells during cell division. Each metaphase chromosome contains two duplicate centimeter-long DNA molecules, folded up by proteins into cylindrical structures several microns in length. Native chromosomes display linear and reversible stretching behavior over a wide range of extensions (up to 5x native length for amphibian chromosomes), described by a Young modulus of about 300 Pa. Studies using DNA-cutting and protein-cutting enzymes have revealed that metaphase chromosomes behave as a network of chromatin fibers held together by protein-based isolated crosslinks. Our results are not consistent with the more classical model of loops of chromatin attached to a protein-based structural organizer or ``scaffold". In short, our experiments indicate that metaphase chromosomes can be considered to be ``gels" of chromatin; the stretching modulus of a whole chromosome is consistent with stretching of the chromatin fibers contained within it. Experiments using topoisomerases suggest that topological constraints may play an appreciable role in confining chromatin in the metaphase chromosome. Finally, recent experiments on human chromosomes will be reviewed, including results of experiments where chromosome-folding proteins are specifically depleted using siRNA methods. Supported by NSF-MCB-1022117, DMR-0715099, PHY-0852130, DMR-0520513, NCI 1U54CA143869-01 (NU-PS-OC), and the American Heart Association.

  12. Studying the Nucleon Structure with Spin

    SciTech Connect

    Hasell, D. K.

    2007-10-26

    The BLAST (Bates Large Acceptance Spectrometer Toroid) collaboration is finalizing the analysis of a systematic study of the spin-dependent, electromagnetic interaction on hydrogen and deuterium. The experiment utilized: the highly polarized electron beam of the MIT-Bates Linear Accelerator Center stored in the South Hall Ring; an internal gas target of isotopically pure and highly polarized hydrogen or deuterium provided by an atomic beam source; and the symmetric, general purpose BLAST spectrometer. By making simultaneous measurements of many reaction channels for different combinations of beam helicity and target polarization BLAST is providing new, precise measurements for the nucleon and deuteron elastic form factors as well as studying the structure of deuterium and pion production from hydrogen and deuterium. A brief overview of the experiment will be presented together with a selection results.

  13. Studies on metal-dielectric plasmonic structures.

    SciTech Connect

    Chettiar, Uday K.; Liu, Zhengtong; Thoreson, Mark D.; Shalaev, Vladimir M.; Drachev, Vladimir P.; Pack, Michael Vern; Kildishev, Alexander V.; Nyga, Piotr

    2010-01-01

    The interaction of light with nanostructured metal leads to a number of fascinating phenomena, including plasmon oscillations that can be harnessed for a variety of cutting-edge applications. Plasmon oscillation modes are the collective oscillation of free electrons in metals under incident light. Previously, surface plasmon modes have been used for communication, sensing, nonlinear optics and novel physics studies. In this report, we describe the scientific research completed on metal-dielectric plasmonic films accomplished during a multi-year Purdue Excellence in Science and Engineering Graduate Fellowship sponsored by Sandia National Laboratories. A variety of plasmonic structures, from random 2D metal-dielectric films to 3D composite metal-dielectric films, have been studied in this research for applications such as surface-enhanced Raman sensing, tunable superlenses with resolutions beyond the diffraction limit, enhanced molecular absorption, infrared obscurants, and other real-world applications.

  14. Southern Africa seismic structure and source studies

    NASA Astrophysics Data System (ADS)

    Zhao, Ming

    1998-09-01

    The upper mantle seismic velocity structure beneath southern Africa is investigated using travel time and waveform data. Waveform and travel time data used in this study come mainly from a large mine tremor in South Africa (msb{b} 5.6) recorded on stations of the southern Africa and the Tanzania Broadband Seismic Experiment. Auxiliary data along similar profiles are obtained from other moderate events within eastern and southern Africa. The waveform data from the large tremor show upper mantle triplications for both the 400 and 670-km discontinuities between 18sp° and 27sp° distance. The most notable feature of the data is a large, late P phase that propagates to at least 27sp°. This phase is striking because of its late arrival time (as much as 15 seconds after direct P at 27sp°) and high amplitude relative to the first arrival. Travel times from all available stations are used to invert for the P wave velocity structure down to 800 km depth and S wave velocity structure down to 200 km using the Wiechert-Herglotz (W-H) inversion technique. The P wave velocities from the uppermost mantle down to 300 km are as much as 3% higher than the global average and are slightly slower than the global average between 300 and 400 km depths. The velocity gradient between 300 and 400 km is 0.0015 1/s. The S wave travel time data yield fast velocities above 200-km depth. The S wave velocity structure appears inconsistent with the P wave structure model indicating varying Poisson's ratio in the upper mantle. Little evidence is found for a pronounced upper mantle low velocity zone. Both sharp and gradual-change 400-km discontinuities are favored by the waveform data. The 670-km discontinuity appears as a gradual-change zone. The source mechanism of the mb 5.6 mining tremor itself is important for seismic discrimination and insight into mining tremor sources. Source parameters for this event as well as some other large mining tremors from the South African gold mines are studied

  15. First Principles Study of Carbyne Structural Stability

    NASA Astrophysics Data System (ADS)

    Kwon, Kevin; Holmes, Colin; Kim, Ki Chul; Jang, Seung Soon

    Carbyne is composed of linear sp-hybridized carbon bonds and yields promising results to surpass graphene's mechanical and electrical properties. Carbyne has two semi-stable conformations: Polyyne (alternating triple and single bonds) and Polycumulene (repeating double bonds). This study investigated the stability of these forms at infinite chain lengths by using periodic boundary conditions. Geometric optimization was performed via DFT calculations using DMoL3 and PBE GGA functional group. Each configuration's chain was stretched or compressed until the most stable form - lowest energy - was obtained. After comparing the energies, the most stable form alternated between Polyyne and Polycumulene as the number of carbon atoms within each boundary increased. Polyyne was the most stable form for odd number of carbons and Polycumulene was the most stable for even number of carbons. Finally, K-point sampling was increased in the direction of the chain axis to obtain a more accurate depiction of structural stability. As the number of k-points increased, the Polycumulene structure became more stable compared to Polyyne. School of Materials Science and Engineering, Georgia Institute of Technology.

  16. Structured Controversy: A Case Study Strategy.

    ERIC Educational Resources Information Center

    Herreid, Clyde Freeman

    1996-01-01

    Introduces a dynamic form of the case instruction method that involves debate and compromise. Discusses two versions of structured controversy and presents an example of structured controversy that involves the use of DNA fingerprinting in forensic medicine. (JRH)

  17. NMR studies of protein structure and dynamics

    NASA Astrophysics Data System (ADS)

    Kay, Lewis E.

    2011-12-01

    Recent advances in solution NMR spectroscopy have significantly extended the spectrum of problems that can now be addressed with this technology. In particular, studies of proteins with molecular weights on the order of 100 kDa are now possible at a level of detail that was previously reserved for much smaller systems. An example of the sort of information that is now accessible is provided in a study of malate synthase G, a 723 residue enzyme that has been a focal point of research efforts in my laboratory. Details of the labeling schemes that have been employed and optimal experiments for extraction of structural and dynamics information on this protein are described. NMR studies of protein dynamics, in principle, give insight into the relation between motion and function. A description of deuterium-based spin relaxation methods for the investigation of side chain dynamics is provided. Examples where millisecond (ms) time scale dynamics play an important role and where relaxation dispersion NMR spectroscopy has been particularly informative, including applications involving the membrane enzyme PagP and mutants of the Fyn SH3 domain that fold on a ms time scale, are presented.

  18. Food peptidomics of in vitro gastrointestinal digestions of partially purified bovine hemoglobin: low-resolution versus high-resolution LC-MS/MS analyses.

    PubMed

    Caron, Juliette; Chataigné, Gabrielle; Gimeno, Jean-Pascal; Duhal, Nathalie; Goossens, Jean-François; Dhulster, Pascal; Cudennec, Benoit; Ravallec, Rozenn; Flahaut, Christophe

    2016-07-01

    Consumers and governments have become aware how the daily diet may affect the human health. All proteins from both plant and animal origins are potential sources of a wide range of bioactive peptides and the large majority of those display health-promoting effects. In the meat production food chain, the slaughterhouse blood is an inevitable co-product and, today, the blood proteins remain underexploited despite their bioactive potentiality. Through a comparative food peptidomics approach we illustrate the impact of resolving power, accuracy, sensitivity, and acquisition speed of low-resolution (LR)- and high-resolution (HR)-LC-ESI-MS/MS on the obtained peptide mappings and discuss the limitations of MS-based peptidomics. From in vitro gastrointestinal digestions of partially purified bovine hemoglobin, we have established the peptide maps of each hemoglobin chain. LR technique (normal bore C18 LC-LR-ESI-MS/MS) allows us to identify without ambiguity 75 unique peptides while the HR approach (nano bore C18 LC-HR-ESI-MS/MS) unambiguously identify more than 950 unique peptides (post-translational modifications included). Herein, the food peptidomics approach using the most performant separation methods and mass spectrometers with high-resolution capabilities appears as a promising source of information to assess the health potentiality of proteins.

  19. The evaluation of a low resolution fourier transform infrared (FTIR) gas analyser for monitoring of solvent emission rates under field conditions.

    PubMed

    Räisänen, J; Niemelä, R

    1999-12-01

    The applicability of a low resolution (8 cm-1) Fourier transform infrared (FTIR) gas analyser with an absorption path length of 3 m was evaluated for the on-line monitoring of organic solvent mixture emissions in a flexographic ink manufacturing plant. The on-line monitoring revealed that the highest variations of solvent concentrations, up to three decades, occurred in the exhaust air. The FTIR analyser with a dynamic range of four decades covers well the concentration ranges typically found in the exhaust air and in the workroom air of ink manufacturing plants. The average emission rate of solvent mixture based on a sampling period of two days was 1.8 kg h-1 consisting of mainly ethanol (70%), ethyl acetate (15%) and propan-2-ol (11%). The detection limits of the analyser for the solvent compounds ranged from 0.3 to 4.3 mg m-3 and the measurement uncertainty was less than 10% in the concentration range of 8-15,000 mg m-3. These characteristics make the apparatus appropriate for most industrial hygiene applications. An FTIR spectrophotometer, equipped with an multipoint sampling unit, facilitates rapid identification of solvent components, real-time display of concentration data relevant to workroom air and environment monitoring as well as process control. Furthermore, the on-line concentration information enabled a rapid selection of representative sampling locations. The spectrophotometer is transportable, rugged and relatively simple to calibrate even in a hostile industrial environment.

  20. Effects of Fluid-Structure Interaction on Dynamic Response of Composite Structures: Experimental and Numerical Studies

    DTIC Science & Technology

    2013-08-01

    composite structures in water and air to enhance the understanding of the effects of fluid-structure interaction on marine composite structural...naval structures are in continuous contact with a water medium. As a result, proper understanding of fluid-structure interaction is important for a...Fluid-Structure Interaction (FSI) is more critical for the former structures. The objective of this study was to investigate the effect of water on

  1. Studies of coal structure using carbene chemistry

    SciTech Connect

    Not Available

    1990-01-01

    The object of this grant was to react coal, derivatized forms of coal, and solvent swelled coal with carbenes (divalent carbon species) under mild conditions. These carbenes were to be prepared by treating the coal with several diazo compounds and then thermally decomposing them at relatively low temperatures (80--130{degree}C). The carbenes were to be chosen to show varying selectively toward aromatic rings containing heteroatom functionalities and toward polynuclear aromatic systems. In some instances, where selectivities toward aromatic and heteroaromatic ring systems were not known, model studies were to be carried out. Because of the generally mild conditions employed and the good selectivity anticipated, and actually observed with one particular system, it was expected that this methodology would provide structural information about the coal, along with data on the extent of occurrence and type of aromatic systems. After carbene reactions, treatment of the coal samples was to include extractions and thermolysis. Physical studies included thermogravimetric analysis, diffuse reflectance FT-IR spectroscopy, NMR ({sup 1}H and {sup 13}C) spectroscopy, gas chromatography, GC/MS and GC/FT-IR. 7 figs., 10 tabs.

  2. Structural efficiency study of composite wing rib structures

    NASA Technical Reports Server (NTRS)

    Swanson, Gary D.; Gurdal, Zafer; Starnes, James H., Jr.

    1988-01-01

    A series of short stiffened panel designs which may be applied to a preliminary design assessment of an aircraft wing rib is presented. The computer program PASCO is used as the primary design and analysis tool to assess the structural efficiency and geometry of a tailored corrugated panel, a corrugated panel with a continuous laminate, a hat stiffened panel, a blade stiffened panel, and an unstiffened flat plate. To correct some of the shortcomings in the PASCO analysis when shear is present, a two step iterative process using the computer program VICON is used. The loadings considered include combinations of axial compression, shear, and lateral pressure. The loading ranges considered are broad enough such that the designs presented may be applied to other stiffened panel applications. An assessment is made of laminate variations, increased spacing, and nonoptimum geometric variations, including a beaded panel, on the design of the panels.

  3. Progress report on nuclear structure studies

    SciTech Connect

    Walters, W.B.

    1991-08-31

    In this report, new results are reported for the decay and nuclear orientation of {sup 114,116}I and {sup 114}Sb as well as data for the structure of daughter nuclides {sup 114,116}Te. New results for IBM-2 calculations for the structure of {sup 126}Xe are also reported. 6 figs., 5 tabs.

  4. Diffraction Ellipsometry Studies of Skeletal Muscle Structure

    NASA Astrophysics Data System (ADS)

    Kerr, William Lloyd

    Many of the techniques used to study the structure and contraction mechanism of muscle rely on the interaction of light or other electromagnetic radiation with the muscle. Some of the most important of these techniques are light and electron microscopy, x-ray diffraction, spectroscopy of muscle fibers "labelled" with spin or fluorescent probes, visible spectrum diffraction, and transmission birefringence. Chapter I of this dissertation reviews these techniques, focussing on what they have to tell us about muscle structure. In Chapter II, we discuss experiments in which the microstructural features of relaxed, skinned fibers compressed with polyvinylpyrollidone were examined by optical diffraction ellipsometry. The change in polarization state of light after interacting with the muscle is described by the differential field ratio (DFR) and birefringence (Deltan). Compression of single fibers with 0%-21% PVP caused an increase in up to 23% and 31% for DFR and Deltan, respectively. Theoretical modelling suggests that the average S-1 tilt angle may be reduced upon compression of the filament lattice. This is supported by experiments in which S-1 was cleaved with alpha-chymotrypsin. Experiments comparing fibers with intact membranes and skinned fibers compressed to an equivalent lattice spacing showed little difference in DFR or Deltan. Chapter III deals with experiments on contracting, intact fibers. The differential field ratio (DFR) was monitored for tetanically contracting muscle fibers subject to rapid (<0.4 msec) release or stretch. Upon stimulation, DFR decreases 14% from its resting value; the half-time for the decrease leads that of tension rise by 10 msecs. This suggests that the movement of cross -bridges precedes tension development and that the average cross-bridge angle is more perpendicular in the contracting state. Upon rapid release of 0.5% of the fiber length, DFR decreases 9.5% further simultaneous with the length step. Rapid and slow recovery phases

  5. Low-resolution gamma-ray spectrometry for an information barrier based on a multi-criteria template-matching approach

    NASA Astrophysics Data System (ADS)

    Göttsche, Malte; Schirm, Janet; Glaser, Alexander

    2016-12-01

    Gamma-ray spectrometry has been successfully employed to identify unique items containing special nuclear materials. Template information barriers have been developed in the past to confirm items as warheads by comparing their gamma signature to the signature of true warheads. Their development has, however, not been fully transparent, and they may not be sensitive to some relevant evasion scenarios. We develop a fully open template information barrier concept, based on low-resolution measurements, which, by design, reduces the extent of revealed sensitive information. The concept is based on three signatures of an item to be compared to a recorded template. The similarity of the spectrum is assessed by a modification of the Kolmogorov-Smirnov test to confirm the isotopic composition. The total gamma count rate must agree with the template as a measure of the projected surface of the object. In order to detect the diversion of fissile material from the interior of an item, a polyethylene mask is placed in front of the detector. Neutrons from spontaneous and induced fission events in the item produce 2.223 MeV gamma rays from neutron capture by hydrogen-1 in the mask. This peak is detected and its intensity scales with the item's fissile mass. The analysis based on MCNP Monte Carlo simulations of various plutonium configurations suggests that this concept can distinguish a valid item from a variety of invalid ones. The concept intentionally avoids any assumptions about specific spectral features, such as looking for specific gamma peaks of specific isotopes, thereby facilitating a fully unclassified discussion. By making all aspects public and allowing interested participants to contribute to the development and benchmarking, we enable a more open and inclusive discourse on this matter.

  6. LRS2: design, assembly, testing, and commissioning of the second-generation low-resolution spectrograph for the Hobby-Eberly Telescope

    NASA Astrophysics Data System (ADS)

    Chonis, Taylor S.; Hill, Gary J.; Lee, Hanshin; Tuttle, Sarah E.; Vattiat, Brian L.; Drory, Niv; Indahl, Briana L.; Peterson, Trent W.; Ramsey, Jason

    2016-08-01

    The second generation Low Resolution Spectrograph (LRS2) is a new facility instrument for the Hobby-Eberly Telescope (HET) at McDonald Observatory. Designed as a powerful spectroscopic follow-up platform, LRS2 is based on the design of the HETs new Visible Integral-field Replicable Unit Spectrograph (VIRUS) and provides integral field spectroscopy for two seeing-limited fields of 6"×12" with unity fill factor. The replicable design of VIRUS has been leveraged for LRS2 to gain broad wavelength coverage from 370 nm to 1.0 μm, spread between two fiber-fed dual-channel spectrographs that operate in unison but observe independent fields that are separated by 100". The blue spectrograph pair, LRS2-B, covers 364<=λ (nm) <= 467 and 454 <= λ (nm)<=700 at fixed resolving powers of R =λ/δλ≍2500 and 1400, respectively, while the red spectrograph pair, LRS2-R, covers 643<=λ (nm)<=845 and 823<=λ (nm)<=1056 with both of its channels having R≍2500. In this paper, a detailed description of the instrument's design, assembly, and laboratory testing is provided in which the focus is placed on the departures from the basic framework of the design and processes previously established for VIRUS. Both LRS2 spectrograph pairs have been successfully deployed on the HET, and commissioning efforts are ongoing. Using on-sky data, the performance of the spectrograph is compared to models of the instrumental sensitivity. The measured performance of LRS2 indicates that the instrument will provide efficient spectroscopic follow-up observations of individual targets, and will be especially powerful when combined with the extensive survey capabilities of VIRUS for HETDEX.

  7. A Comparison of Electron Density Profiles Derived from the Low Resolution Airglow and Aurora Spectrograph (LORAAS) Ultraviolet Measurements: Resolution of the 911 Å Conundrum

    NASA Astrophysics Data System (ADS)

    Dymond, K.; Budzien, S. A.; Coker, C.; Nicholas, A. C.; Stephan, A. W.; Bishop, R. L.; Christensen, A. B.; Hecht, J. H.; Straus, P. R.

    2010-12-01

    Previous measurements of the 911 Å emission made by sounding rockets, at altitude less than 320 km, indicated that the emission was either very weak or non-existent. Newer measurements made by the Remote Atmospheric and Ionospheric Detection System (RAIDS) currently in operation aboard the International Space Station, at an altitude of 340 km, show the same behavior. Yet, satellite-based measurements made at altitudes above 800 km showed the emission to be present and strong enough to be accurately measured and inverted; those inversions were validated against ionosonde measurements and demonstrated the possibility of using the 911 Å emission for daytime ionospheric sensing. So the conundrum is: why do measurements made at lower altitudes (< 350 km) indicate weak or non-existent emission while satellite measurements at higher altitudes (>800 km) show the presence of the emission at the expected level? We present our measurements of the daytime and nighttime electron density derived by analysis of the O I 1356 and O I 911 Å altitude profiles measured by the Low Resolution Airglow and Aurora Spectrograph (LORAAS) instrument launched aboard the Advanced Research and Global Observation Satellite (ARGOS), which operated between mid-May 1999 and April 2002. We compare the retrieved electron density profiles inferred from the limb intensities of the ultraviolet emissions to peak heights and peak densities measured during ionosonde overflights. We show that the 911 Å emission is strongly affected by the height of the ionosphere and show that this is consistent with absorption of the 911 Å by atomic oxygen. Model results are presented showing that the RAIDS and sounding rocket measurements can be explained by this absorption.

  8. Raman structural studies of the nickel electrode

    NASA Technical Reports Server (NTRS)

    Cornilsen, B. C.

    1985-01-01

    Raman spectroscopy is sensitive to empirically controlled nickel electrode structural variations, and has unique potential for structural characterization of these materials. How the structure relates to electrochemical properties is examined so that the latter can be more completely understood, controlled, and optimized. Electrodes were impregnated and cycled, and cyclic voltammetry is being used for electrochemical characterization. Structural variation was observed which has escaped detection using other methods. Structural changes are induced by: (1) cobalt doping, (2) the state of change or discharge, (3) the preparation conditions and type of buffer used, and (4) the formation process. Charged active mass has an NiOOH-type structure, agreeing with X-ray diffraction results. Discharged active mass, however, is not isostructural with beta-Ni(OH)2. Chemically prepared alpha phases are not isostructural either. A disordered structural model, containing point defects, is proposed for the cycled materials. This model explains K(+) incorporation. Band assignments were made and spectra interpreted for beta-Ni(OH)2, electrochemical NiOOH and chemically precipitated NiOOH.

  9. Raman structural studies of the nickel electrode

    NASA Technical Reports Server (NTRS)

    Cornilsen, Bahne C.

    1994-01-01

    The objectives of this investigation have been to define the structures of charged active mass, discharged active mass, and related precursor materials (alpha-phases), with the purpose of better understanding the chemical and electrochemical reactions, including failure mechanisms and cobalt incorporation, so that the nickel electrode may be improved. Although our primary tool has been Raman spectroscopy, the structural conclusions drawn from the Raman data have been supported and augmented by three other analysis methods: infrared spectroscopy, powder X-ray Diffraction (XRD), and x-ray absorption spectroscopy (in particular EXAFS, Extended X-ray Absorption Fine Structure spectroscopy).

  10. Tight-Binding study of Boron structures

    NASA Astrophysics Data System (ADS)

    McGrady, Joseph W.; Papaconstantopoulos, Dimitrios A.; Mehl, Michael J.

    2014-10-01

    We have performed Linearized Augmented Plane Wave (LAPW) calculations for five crystal structures (alpha, dhcp, sc, fcc, bcc) of Boron which we then fitted to a non-orthogonal tight-binding model following the Naval Research Laboratory Tight-Binding (NRL-TB) method. The predictions of the NRL-TB approach for complicated Boron structures such as R105 (or β-rhombohedral) and T190 are in agreement with recent first-principles calculations. Fully utilizing the computational speed of the NRL-TB method we calculated the energy differences of various structures, including those containing vacancies using supercells with up to 5000 atoms.

  11. Distillation tray structural parameter study: Phase 1

    NASA Technical Reports Server (NTRS)

    Winter, J. Ronald

    1991-01-01

    The purpose here is to identify the structural parameters (plate thickness, liquid level, beam size, number of beams, tray diameter, etc.) that affect the structural integrity of distillation trays in distillation columns. Once the sensitivity of the trays' dynamic response to these parameters has been established, the designer will be able to use this information to prepare more accurate specifications for the construction of new trays. Information is given on both static and dynamic analysis, modal response, and tray failure details.

  12. In Silico Analysis for the Study of Botulinum Toxin Structure

    NASA Astrophysics Data System (ADS)

    Suzuki, Tomonori; Miyazaki, Satoru

    2010-01-01

    Protein-protein interactions play many important roles in biological function. Knowledge of protein-protein complex structure is required for understanding the function. The determination of protein-protein complex structure by experimental studies remains difficult, therefore computational prediction of protein structures by structure modeling and docking studies is valuable method. In addition, MD simulation is also one of the most popular methods for protein structure modeling and characteristics. Here, we attempt to predict protein-protein complex structure and property using some of bioinformatic methods, and we focus botulinum toxin complex as target structure.

  13. Functional and structural studies of the disulfide isomerase DsbC from the plant pathogen Xylella fastidiosa reveals a redox-dependent oligomeric modulation in vitro.

    PubMed

    Santos, Clelton A; Toledo, Marcelo A S; Trivella, Daniela B B; Beloti, Lilian L; Schneider, Dilaine R S; Saraiva, Antonio M; Crucello, Aline; Azzoni, Adriano R; Souza, Alessandra A; Aparicio, Ricardo; Souza, Anete P

    2012-10-01

    Xylella fastidiosa is a Gram-negative bacterium that grows as a biofilm inside the xylem vessels of susceptible plants and causes several economically relevant crop diseases. In the present study, we report the functional and low-resolution structural characterization of the X. fastidiosa disulfide isomerase DsbC (XfDsbC). DsbC is part of the disulfide bond reduction/isomerization pathway in the bacterial periplasm and plays an important role in oxidative protein folding. In the present study, we demonstrate the presence of XfDsbC during different stages of X. fastidiosa biofilm development. XfDsbC was not detected during X. fastidiosa planktonic growth; however, after administering a sublethal copper shock, we observed an overexpression of XfDsbC that also occurred during planktonic growth. These results suggest that X. fastidiosa can use XfDsbC in vivo under oxidative stress conditions similar to those induced by copper. In addition, using dynamic light scattering and small-angle X-ray scattering, we observed that the oligomeric state of XfDsbC in vitro may be dependent on the redox environment. Under reducing conditions, XfDsbC is present as a dimer, whereas a putative tetrameric form was observed under nonreducing conditions. Taken together, our findings demonstrate the overexpression of XfDsbC during biofilm formation and provide the first structural model of a bacterial disulfide isomerase in solution.

  14. Structural studies of large nucleoprotein particles, vaults

    PubMed Central

    TANAKA, Hideaki; TSUKIHARA, Tomitake

    2012-01-01

    Vault is the largest nonicosahedral cytosolic nucleoprotein particle ever described. The widespread presence and evolutionary conservation of vaults suggest important biologic roles, although their functions have not been fully elucidated. X-ray structure of vault from rat liver was determined at 3.5 Å resolution. It exhibits an ovoid shape with a size of 40 × 40 × 67 nm3. The cage structure of vault consists of a dimer of half-vaults, with each half-vault comprising 39 identical major vault protein (MVP) chains. Each MVP monomer folds into 12 domains: nine structural repeat domains, a shoulder domain, a cap-helix domain and a cap-ring domain. Interactions between the 42-turn-long cap-helix domains are key to stabilizing the particle. The other components of vaults, telomerase-associated proteins, poly(ADP-ribose) polymerases and small RNAs, are in location in the vault particle by electron microscopy. PMID:23060231

  15. Structural equation modeling for observational studies

    USGS Publications Warehouse

    Grace, J.B.

    2008-01-01

    Structural equation modeling (SEM) represents a framework for developing and evaluating complex hypotheses about systems. This method of data analysis differs from conventional univariate and multivariate approaches familiar to most biologists in several ways. First, SEMs are multiequational and capable of representing a wide array of complex hypotheses about how system components interrelate. Second, models are typically developed based on theoretical knowledge and designed to represent competing hypotheses about the processes responsible for data structure. Third, SEM is conceptually based on the analysis of covariance relations. Most commonly, solutions are obtained using maximum-likelihood solution procedures, although a variety of solution procedures are used, including Bayesian estimation. Numerous extensions give SEM a very high degree of flexibility in dealing with nonnormal data, categorical responses, latent variables, hierarchical structure, multigroup comparisons, nonlinearities, and other complicating factors. Structural equation modeling allows researchers to address a variety of questions about systems, such as how different processes work in concert, how the influences of perturbations cascade through systems, and about the relative importance of different influences. I present 2 example applications of SEM, one involving interactions among lynx (Lynx pardinus), mongooses (Herpestes ichneumon), and rabbits (Oryctolagus cuniculus), and the second involving anuran species richness. Many wildlife ecologists may find SEM useful for understanding how populations function within their environments. Along with the capability of the methodology comes a need for care in the proper application of SEM.

  16. Management Structures and Large-Scale Studies.

    ERIC Educational Resources Information Center

    Welty, Gordon; Lundin, Edward

    The structure of an organization plays a vital role in the evaluation of the organization. Social science researchers often assume that controls inherent in the physical sciences are as applicable to human subjects. Evaluation of Head Start is an example of the social relation of investigator to subject matter and of the variables introduced by…

  17. Low-resolution mass spectrometric relative response factors (RRFs) and relative retention times (RRTs) on two common gas chromatographic stationary phases for 87 polychlorinated dibenzofurans.

    PubMed

    Lundgren, Kjell; Rappe, Christoffer; Tysklind, Mats

    2004-05-01

    All 87 tetra- to octa-chlorinated dibenzofurans (PCDFs) were analysed using high-resolution gas chromatography/low-resolution mass spectrometry (HRGC-LRMS). The mass spectrometer was operated in two different modes: electron ionisation (EI), and negative ion chemical ionisation (NCI) with methane as a reagent gas. Baseline separation and identification of all PCDF congeners was carried out using one non-polar (DB-5) and one polar (RT-2330) capillary GC column. Relative retention times (RRTs) on both columns, and relative response factors (RRFs) in both EI- and NCI-modes, were calculated for all 87 of the PCDFs. Comparison of the EI-RRFs and NCI-RRFs showed that the mass spectrometric NCI-responses varied to a higher degree than the EI-responses. The level of NCI-response was dependent on the substitution positions of the chlorine atoms on the dibenzofuran molecule skeleton. The ratio between the highest and lowest RRFs was 26 in the NCI-mode, but only 2.3 in the EI-mode. Thus, quantification of tetra- to octa-CDFs in environmental samples using the NCI-mode will result in incorrect estimates of PCDF concentrations unless 13C-labelled internal standards are used for each congener, or RRFs are taken into consideration. In contrast, the quantification of PCDFs in the EI-mode using a single internal 13C-labelled PCDF standard for each PCDF homologue is accurate according to the findings in this investigation. A flue gas sample from a municipal solid waste incinerator (MSWI) analysed in the NCI-mode was quantified with and without NCI-RRFs. When using NCI-RRFs the reported concentration of SigmaPCDFs in the flue gas sample increased by 40%. Furthermore, TCDF analysis was compared using two mass spectrometers (a VG 12-250 and a Finnigan 4500) operating in EI-mode. These quadrupole instruments performed equally well, giving similar EI-RRFs for the tested compounds.

  18. Characterization of dermal structural assembly in normal and pathological connective tissues by intrinsic signal multiphoton optical microscopy

    NASA Astrophysics Data System (ADS)

    Lyubovitsky, Julia G.; Xu, Xiaoman; Sun, Chung-ho; Andersen, Bogi; Krasieva, Tatiana B.; Tromberg, Bruce J.

    2008-02-01

    Employing a reflectance multi-photon microscopy (MPM) technique, we developed novel method to quantitatively study the three-dimensional assembly of structural proteins within bulk of dermal ECMs. Using a structurally simplified model of skin with enzymatically dissected epidermis, we find that low resolution MPM clearly discriminates between normal and pathological dermis. High-resolution images revealed that the backscattered MPM signals are affected by the assembly of collagen fibrils and fibers within this system. Exposure of tissues to high concentrations of potentially denaturing chemicals also resulted in the reduction of SHG signals from structural proteins which coincided with the appearance of aggregated fluorescent structures.

  19. CGEL-2: Structural Studies of Colloidal Suspensions

    NASA Technical Reports Server (NTRS)

    2004-01-01

    These are images of CGEL-2 samples taken during STS-95. They show binary colloidal suspensions that have formed ordered crystalline structures in microgravity. In sample 5, there are more particles therefore, many, many crystallites (small crystals) form. In sample 6, there are less particles therefore, the particles are far apart and few, much larger crystallites form. The white object in the right corner of sample 5 is the stir bar used to mix the sample at the begirning of the mission.

  20. Dynamic Loads and Structural Criteria Study

    DTIC Science & Technology

    1974-09-01

    intended mission assignment from a practical standpoint, discussing possible bias in the operationa data. The Task IV objective was to identify...critical segments and conditions. Three criteria were used: high loads, high fatigue damage , and high ••’ibration. it II- Unclassified SECURITY...IDENTIFICATION OF CRITICAL SEGMENTS/ CONDITIONS 84 High Structural Loads and Fatigue Damage 84 High Vibration ^0 Causal Factors ^O

  1. A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers1

    PubMed Central

    Zhang, Qiu; Petridis, Loukas; Nixon, B. Tracy; Haigler, Candace H.; Kalluri, Udaya; Coates, Leighton; Smith, Jeremy C.; Meiler, Jens

    2016-01-01

    A cellulose synthesis complex with a “rosette” shape is responsible for synthesis of cellulose chains and their assembly into microfibrils within the cell walls of land plants and their charophyte algal progenitors. The number of cellulose synthase proteins in this large multisubunit transmembrane protein complex and the number of cellulose chains in a microfibril have been debated for many years. This work reports a low resolution structure of the catalytic domain of CESA1 from Arabidopsis (Arabidopsis thaliana; AtCESA1CatD) determined by small-angle scattering techniques and provides the first experimental evidence for the self-assembly of CESA into a stable trimer in solution. The catalytic domain was overexpressed in Escherichia coli, and using a two-step procedure, it was possible to isolate monomeric and trimeric forms of AtCESA1CatD. The conformation of monomeric and trimeric AtCESA1CatD proteins were studied using small-angle neutron scattering and small-angle x-ray scattering. A series of AtCESA1CatD trimer computational models were compared with the small-angle x-ray scattering trimer profile to explore the possible arrangement of the monomers in the trimers. Several candidate trimers were identified with monomers oriented such that the newly synthesized cellulose chains project toward the cell membrane. In these models, the class-specific region is found at the periphery of the complex, and the plant-conserved region forms the base of the trimer. This study strongly supports the “hexamer of trimers” model for the rosette cellulose synthesis complex that synthesizes an 18-chain cellulose microfibril as its fundamental product. PMID:26556795

  2. A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers

    SciTech Connect

    Vandavasi, Venu Gopal; Putnam, Daniel K.; Zhang, Qiu; Petridis, Loukas; Heller, William T.; Nixon, B. Tracy; Haigler, Candace H.; Kalluri, Udaya; Coates, Leighton; Langan, Paul; Smith, Jeremy C.; Meiler, Jens; O’Neill, Hugh

    2015-11-10

    In a cellulose synthesis complex a "rosette" shape is responsible for the synthesis of cellulose chains and their assembly into microfibrils within the cell walls of land plants and their charophyte algal progenitors. The number of cellulose synthase proteins in this large multisubunit transmembrane protein complex and the number of cellulose chains in a microfibril have been debated for many years. Our work reports a low resolution structure of the catalytic domain of CESA1 from Arabidopsis (Arabidopsis thaliana; AtCESA1CatD) determined by small-angle scattering techniques and provides the first experimental evidence for the self-assembly of CESA into a stable trimer in solution. The catalytic domain was overexpressed in Escherichia coli, and using a two-step procedure, it was possible to isolate monomeric and trimeric forms of AtCESA1CatD. Moreover, the conformation of monomeric and trimeric AtCESA1CatD proteins were studied using small-angle neutron scattering and small-angle x-ray scattering. A series of AtCESA1CatD trimer computational models were compared with the small-angle x-ray scattering trimer profile to explore the possible arrangement of the monomers in the trimers. Several candidate trimers were identified with monomers oriented such that the newly synthesized cellulose chains project toward the cell membrane. In these models, the class-specific region is found at the periphery of the complex, and the plant-conserved region forms the base of the trimer. Finally, this study strongly supports the "hexamer of trimers" model for the rosette cellulose synthesis complex that synthesizes an 18-chain cellulose microfibril as its fundamental product.

  3. A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers

    DOE PAGES

    Vandavasi, Venu Gopal; Putnam, Daniel K.; Zhang, Qiu; ...

    2015-11-10

    In a cellulose synthesis complex a "rosette" shape is responsible for the synthesis of cellulose chains and their assembly into microfibrils within the cell walls of land plants and their charophyte algal progenitors. The number of cellulose synthase proteins in this large multisubunit transmembrane protein complex and the number of cellulose chains in a microfibril have been debated for many years. Our work reports a low resolution structure of the catalytic domain of CESA1 from Arabidopsis (Arabidopsis thaliana; AtCESA1CatD) determined by small-angle scattering techniques and provides the first experimental evidence for the self-assembly of CESA into a stable trimer inmore » solution. The catalytic domain was overexpressed in Escherichia coli, and using a two-step procedure, it was possible to isolate monomeric and trimeric forms of AtCESA1CatD. Moreover, the conformation of monomeric and trimeric AtCESA1CatD proteins were studied using small-angle neutron scattering and small-angle x-ray scattering. A series of AtCESA1CatD trimer computational models were compared with the small-angle x-ray scattering trimer profile to explore the possible arrangement of the monomers in the trimers. Several candidate trimers were identified with monomers oriented such that the newly synthesized cellulose chains project toward the cell membrane. In these models, the class-specific region is found at the periphery of the complex, and the plant-conserved region forms the base of the trimer. Finally, this study strongly supports the "hexamer of trimers" model for the rosette cellulose synthesis complex that synthesizes an 18-chain cellulose microfibril as its fundamental product.« less

  4. Structural Studies of Human Pyruvate Dehydrogenase

    NASA Technical Reports Server (NTRS)

    Ciszak, Ewa; Korotchkina, Lioubov G.; Dominiak, Paulina; Sidhu, Sukhdeep; Patel, Mulchand S.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    Human pyruvate dehydrogenase (E1) catalyzes the irreversible decarboxylation of pyruvate in the presence of Mg(2+) and thiamin pyrophosphate (TPP) followed by the rate-limiting reductive acetylation of the lipoyl moiety linked to dihydrolipoamide acetyltransferase. The three-dimensional structure of human E1 is elucidated using the methods of macromolecular X-ray crystallography. The structure is an alpha, alpha', beta and beta' tetramer with the protein units being in the tetrahedral arrangement. Each 361-residue alpha-subunit and 329-residue beta-subunit is composed of a beta-sheet core surrounded by alpha-helical domains. Each subunit is in extensive contact with all the three subunits involving TPP and magnesium cofactors, and potassium ions. The two binding sites for TPP are at the alpha-beta' and alpha'-beta interfaces, each involving a magnesium ion and Phe6l, His63, Tyr89, and Met200 from the alpha-subunit (or alpha'-subunit), and Met81 Phe85, His128 from the beta-subunit (or beta'-subunit). K+ ions are nestled between two beta-sheets and the end of an alpha-helix in each beta-subunit, where they are coordinated by four carbonyl oxygen groups from Ile12, Ala160, Asp163, and Asnl65, and a water molecule. The catalytic C2 carbon of thiazolium ring in this structure forms a 3.2 A contact with a water molecule involved in a series of H-bonds with other water molecules, and indirectly with amino acids including those involved in the catalysis and regulation of the enzyme.

  5. Structural studies of 4-aminoantipyrine derivatives

    NASA Astrophysics Data System (ADS)

    Cunha, Silvio; Oliveira, Shana M.; Rodrigues, Manoel T.; Bastos, Rodrigo M.; Ferrari, Jailton; de Oliveira, Cecília M. A.; Kato, Lucília; Napolitano, Hamilton B.; Vencato, Ivo; Lariucci, Carlito

    2005-10-01

    Reaction of 4-aminoantipyrine with acetylacetone, ethyl acetoacetate, benzoyl isothiocyanate, phenyl isothiocyanate, maleic anhydride and methoxymethylene Meldrum's acid afforded a series of new antipyrine derivatives. The antibacterial activity of the synthesized compounds against Micrococcus luteus ATCC 9341, Staphilococcus aureus ATCC 29737, and Escherichia coli ATCC 8739 was evaluated and the minimal inhibitory concentration determined. Modest activity was found only to the maleamic acid obtained from the reaction of 4-aminoantipyrine and maleic anhydride. 1H NMR investigation of this maleamic acid showed that it is slowly converted to the corresponding toxic maleimide. The structures of three derivatives were determined by X-ray diffraction analysis.

  6. Farber's disease: a fine structural study.

    PubMed

    Abenoza, P; Sibley, R K

    1987-01-01

    A 1-week-old baby boy presented with hepatosplenomegaly, coarse facial features, and cloudy corneas. A metabolic storage disease was considered and he underwent cutaneous and liver biopsy. By light microscopy the skin was normal. Kupffer cells were enlarged and had foamy cytoplasm. Ultrastructural examination of skin and liver demonstrated features compatible with Farber's disease: curvilinear and "banana" bodies, zebra-like structures, and concentric lamellar bodies. A deficiency of lysosomal acid ceramidase was subsequently demonstrated in cultured fibroblasts and in liver tissue corroborating the ultrastructural findings.

  7. Structural Studies of Nicotinoids: Cotinine versus Nicotine.

    PubMed

    Uriarte, Iciar; Pérez, Cristóbal; Caballero-Mancebo, Elena; Basterretxea, Francisco J; Lesarri, Alberto; Fernández, José A; Cocinero, Emilio J

    2017-02-17

    Nicotinoids are agonists of the acetylcholine receptor (nAChR) and play important biochemical and pharmacological roles. Herein, we report on the structure and conformation of cotinine, and compare its molecular properties with the nicotine prototype, from which it only differs in the addition of a carbonyl group. This investigation included a theoretical survey of the effects of rotamerization of the pyridine moiety, the puckering of the pyrrolidinone ring and the internal rotation of the methyl group. The experimental work examined the rotational spectrum of the molecule in a supersonic expansion, using both broadband chirped-pulse excitation techniques and cavity microwave spectrometers. Two conformers were observed for cotinine, and the fine and hyperfine structures arising from the two quadrupolar (14) N nuclei and the methyl internal rotor were fully analyzed. The two observed conformers share the same twisted conformation of the five-membered ring, but differ in a roughly 180° rotamerization around the C-C bond connecting the two rings. The energy barriers for the internal rotation of the methyl group in cotinine (4.55(4) and 4.64(3) kJ mol(-1) , respectively) are much lower than in nicotine (estimated in 16.5 kJ mol(-1) ). The combination of different intramolecular electronic effects, hydrogen bonding and possible binding differences to receptor molecules arising from the carbonyl group could explain the lower affinity of cotinine for nAChRs.

  8. Structural and spectroscopic studies of fluoroprotactinates.

    PubMed

    De Sio, Stéphanie M; Wilson, Richard E

    2014-02-03

    Seven protactinium(V) fluoride compounds have been synthesized, and their crystal structures and Raman spectra are reported. (NH4)2PaF7, K2PaF7, Rb2PaF7, and Cs2PaF7 were found to crystallize in the monoclinic space group P21/c for the ammonium compound and C2/c for the K(+)-, Rb(+)-, and Cs(+)-containing compounds, with nine-coordinate Pa forming infinite chains through fluorine bridges. Na3PaF8 crystallizes in the tetragonal space group I4/mmm with eight-coordinate Pa in tetragonal geometry, while tetramethylammonium fluoroprotactinate shows two different structures: (Me4N)2(H3O)PaF8, an eight-coordinate molecular compound crystallizing in the monoclinic space group C2/c, and (Me4N)PaF6, an eight-coordinate Pa compound forming infinite chains and crystallizing in the orthorhombic space group Pnnm. A comparison of solid- and solution-state Raman data indicates that the PaF8(-) anion could be the predominant Pa(V) complex in concentrated solutions of aqueous HF.

  9. Lunar surface structural concepts and construction studies

    NASA Technical Reports Server (NTRS)

    Mikulas, Martin

    1991-01-01

    The topics are presented in viewgraph form and include the following: lunar surface structures construction research areas; lunar crane related disciplines; shortcomings of typical mobile crane in lunar base applications; candidate crane cable suspension systems; NIST six-cable suspension crane; numerical example of natural frequency; the incorporation of two new features for improved performance of the counter-balanced actively-controlled lunar crane; lunar crane pendulum mechanics; simulation results; 1/6 scale lunar crane testbed using GE robot for global manipulation; basic deployable truss approaches; bi-pantograph elevator platform; comparison of elevator platforms; perspective of bi-pantograph beam; bi-pantograph synchronously deployable tower/beam; lunar module off-loading concept; module off-loader concept packaged; starburst deployable precision reflector; 3-ring reflector deployment scheme; cross-section of packaged starburst reflector; and focal point and thickness packaging considerations.

  10. Structural and vibrational study of maprotiline

    NASA Astrophysics Data System (ADS)

    Yavuz, A. E.; Haman Bayarı, S.; Kazancı, N.

    2009-04-01

    Maprotiline ( N-methyl-9,10-ethanoanthracene-9(10H)-propanamine) is a tetra cyclic antidepressant. It is a highly selective inhibitor of norepinephrine reuptake. The solid and solution in CCl 4 and methanol infrared spectra of maprotiline were recorded. The fully optimized equilibrium structure of maprotiline was obtained from DFT calculations by using the B3LYP functional in combination with 6-31G and 6-311G(d,p) basis sets. The results of harmonic and anharmonic frequency calculations on maprotiline were presented. The vibrational spectra were interpreted, with the aid of normal coordinate analysis based on a scaled quantum mechanical (SQM) force field. Vibrational assignment of all the fundamentals was made using the total energy distribution (TED). The possible interaction between maprotiline and neurotransmitter serotonin (5-HT) were investigated.

  11. STRUCTURAL STUDIES ON A MITOCHONDRIAL GLYOXLASE II*

    PubMed Central

    Marasinghe, Gishanthi P. K.; Sander, Ian M.; Bennett, Brian; Periyannan, Gopalraj; Yang, Ke-Wu; Makaroff, Christopher A.; Crowder, Michael W.

    2005-01-01

    Glyoxalase 2 is a β-lactamase fold containing enzyme that appears to be involved with cellular chemical detoxification. Although the cytoplasmic isozyme has been characterized from several organisms, essentially nothing is known about the mitochondrial proteins. As a first step in understanding the structure and function of mitochondrial glyoxalase 2 enzymes, a mitochondrial isozyme (GLX2-5) from Arabidopsis thaliana was cloned, over-expressed, purified, and characterized using metal analyses, EPR and 1H NMR spectroscopies, and X-ray crystallography. The recombinant enzyme was shown to bind 1.04 ± 0.15 equivalents of iron, 1.31 ± 0.05 equivalents of Zn(II), and exhibit kcat and Km values of 129 ± 10 s−1 and 391 ± 48 μM, respectively, when using S-D-lactoylglutathione as the substrate. EPR spectra revealed that recombinant GLX2-5 contains multiple metal centers including a predominant Fe(III)Zn(II) center and an antiferromagnetically-coupled Fe(III)Fe(II) center. Unlike cytosolic glyoxalase 2 from A. thaliana, GLX2-5 does not appear to specifically bind manganese. 1H NMR spectra revealed the presence of at least 8 paramagnetically-shifted resonances that arise from protons in close proximity to a Fe(III)Fe(II) center. Five of these resonances arise from solvent exchangeable protons, and four of these have been assigned to NH protons on metal bound histidines. A 1.74 Å resolution crystal structure of the enzyme revealed that GLX2-5 is a dimeric protein with a metal center that is similar to that of human GLX2. These data demonstrate that mitochondrial glyoxalase 2 can accommodate a number of different metal centers and that the predominant metal center is Fe(III)Zn(II). PMID:16227621

  12. Local structural study of doped-ceria by EXAFS spectroscopy

    NASA Astrophysics Data System (ADS)

    Shirbhate, S. C.; Yadav, A. K.; Acharya, S. A.; Sagdeo, A. P.; Jha, S. N.

    2016-05-01

    In the present work, Structural and Local structural study of Sm, Gd doped and Sm-Gd co-doped ceria system has been studied by Extended X-ray Absorption Fine Structure Spectroscopy (EXAFS). These ceria based systems are synthesized by hydrothermal synthesis route. Fluorite structure is confirmed by X-ray diffraction (XRD) and data is well fitted using Rietveld refinement by Full-Prof suite. Local structural changes in terms of coordination with surrounding, inter atomic distances and Debye Waller factor of nearest neighbor and next nearest neighbor has been discussed.

  13. A study of the mechanical and structural properties ofpolonium

    SciTech Connect

    Kraig, Robert E.; Roundy, David; Cohen, Marvin L.

    2003-05-15

    We have performed an ab initio study of the structure of polonium. By calculating total energies in a number of tetragonal lattice configurations, we have shown that the simple cubic structure is preferred by the system. The other two zero-stress structures, bcc and fcc, correspond to inflection points along this path. These calculations agree with experimental evidence that polonium is the only known element to assume the simple cubic structure at room temperature.

  14. CASP11--An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline.

    PubMed

    Fischer, Axel W; Heinze, Sten; Putnam, Daniel K; Li, Bian; Pino, James C; Xia, Yan; Lopez, Carlos F; Meiler, Jens

    2016-01-01

    In silico prediction of a protein's tertiary structure remains an unsolved problem. The community-wide Critical Assessment of Protein Structure Prediction (CASP) experiment provides a double-blind study to evaluate improvements in protein structure prediction algorithms. We developed a protein structure prediction pipeline employing a three-stage approach, consisting of low-resolution topology search, high-resolution refinement, and molecular dynamics simulation to predict the tertiary structure of proteins from the primary structure alone or including distance restraints either from predicted residue-residue contacts, nuclear magnetic resonance (NMR) nuclear overhauser effect (NOE) experiments, or mass spectroscopy (MS) cross-linking (XL) data. The protein structure prediction pipeline was evaluated in the CASP11 experiment on twenty regular protein targets as well as thirty-three 'assisted' protein targets, which also had distance restraints available. Although the low-resolution topology search module was able to sample models with a global distance test total score (GDT_TS) value greater than 30% for twelve out of twenty proteins, frequently it was not possible to select the most accurate models for refinement, resulting in a general decay of model quality over the course of the prediction pipeline. In this study, we provide a detailed overall analysis, study one target protein in more detail as it travels through the protein structure prediction pipeline, and evaluate the impact of limited experimental data.

  15. Study of Contractor Internal Reward Structures.

    DTIC Science & Technology

    1981-12-15

    Incentive Systems Negotiations 20) 149TRACT (Continue an reverse side It necessary and identify by block number) ~ a: -mhe overall objective of this study...Inc. to begin work on August 14, 1981 to collect data on contractor internal motivation systems in specified defense corporations. Study Focus The...awards. While we have already gathered somes data on your firm’s incentive program as reported In SEC filings, informtion on the award criteria was not

  16. Partly saturated polyacene structures: a theoretical study.

    PubMed

    El Khatib, Muammar; Evangelisti, Stefano; Leininger, Thierry; Bendazzoli, Gian Luigi

    2014-07-01

    Planar molecular edifices obtained by joining polyacene fragments (polyacene stripes) are investigated at tight-binding (i.e., with a Hückel Hamiltonian) and ab initio level. For this kind of system, it is known that the presence of 60-degree angles between two stripes of the polyacene molecular skeleton induces the formation of singly occupied molecular orbitals, whose combination gives rise to quasi-degenerate electronic states. In particular, two types of convex polygons having a unique side length (rhombuses and triangles) are considered in this work. It is shown that the saturation via hydrogen atoms of the apical carbons located on outer borders of the 60-degree angles increases the number of quasi-degenerate orbitals, and hence the maximal multiplicity of the low-lying states of the system. Our tight-binding and ab initio (CAS-CI, NEVPT2) calculations indicate that the spin multiplicity of these molecular structures is in systematical accord with the Ovchinnikov rule.

  17. Structure Property Studies for Additively Manufactured Parts

    SciTech Connect

    Milenski, Helen M; Schmalzer, Andrew Michael; Kelly, Daniel

    2015-08-17

    Since the invention of modern Additive Manufacturing (AM) processes engineers and designers have worked hard to capitalize on the unique building capabilities that AM allows. By being able to customize the interior fill of parts it is now possible to design components with a controlled density and customized internal structure. The creation of new polymers and polymer composites allow for even greater control over the mechanical properties of AM parts. One of the key reasons to explore AM, is to bring about a new paradigm in part design, where materials can be strategically optimized in a way that conventional subtractive methods cannot achieve. The two processes investigated in my research were the Fused Deposition Modeling (FDM) process and the Direct Ink Write (DIW) process. The objectives of the research were to determine the impact of in-fill density and morphology on the mechanical properties of FDM parts, and to determine if DIW printed samples could be produced where the filament diameter was varied while the overall density remained constant.

  18. Study of excited nucleons and their structure

    SciTech Connect

    Burkert, Volker D.

    2014-01-01

    Recent advances in the study of excited nucleons are discussed. Much of the progress has been achieved due to the availability of high precision meson production data in the photoproduction and electroproduction sectors, the development of multi-channel partial wave analysis techniques, and advances in Lattice QCD with predictions of the full excitation spectrum.

  19. Fluctuation electron microscopy studies of complex structured materials

    NASA Astrophysics Data System (ADS)

    Zhao, Gongpu; Rougée, Annick; Buseck, Peter; Treacy, Michael

    2008-03-01

    Fluctuation electron microscopy (FEM) is a hybrid imaging-diffraction technique. This technique is particularly sensitive to paracrystalline structures of dimension 0.5-2 nm, which are difficult to detect by either imaging or diffraction techniques alone. It has been successfully deployed to study paracrystalline structures in amorphous silicon, germanium thin film. This technique has also been used to study metallic glasses and oxide glasses. Until now, FEM has not been used to study disordered geological materials. In this talk we present our FEM studies of shungite, a naturally occurring disordered carbonaceous material, reveal that trace quantities of tightly curved graphene structures such as C60, or fragments of C60, is present in shungite. We also present results from our study of metamict zircon, whose crystal structure is destroyed by self-radiation during naturally occurring α decay events. Work is in progress to study the structural evolution during the metamictization process.

  20. Novel Structural Approaches to Study GPCR Regulation

    PubMed Central

    Alfonzo-Méndez, Marco A.; Alcántara-Hernández, Rocío; García-Sáinz, J. Adolfo

    2016-01-01

    Background: Upon natural agonist or pharmacological stimulation, G protein-coupled receptors (GPCRs) are subjected to posttranslational modifications, such as phosphorylation and ubiquitination. These posttranslational modifications allow protein–protein interactions that turn off and/or switch receptor signaling as well as trigger receptor internalization, recycling or degradation, among other responses. Characterization of these processes is essential to unravel the function and regulation of GPCR. Methods: In silico analysis and methods such as mass spectrometry have emerged as novel powerful tools. Both approaches have allowed proteomic studies to detect not only GPCR posttranslational modifications and receptor association with other signaling macromolecules but also to assess receptor conformational dynamics after ligand (agonist/antagonist) association. Results: this review aims to provide insights into some of these methodologies and to highlight how their use is enhancing our comprehension of GPCR function. We present an overview using data from different laboratories (including our own), particularly focusing on free fatty acid receptor 4 (FFA4) (previously known as GPR120) and α1A- and α1D-adrenergic receptors. From our perspective, these studies contribute to the understanding of GPCR regulation and will help to design better therapeutic agents. PMID:28025563

  1. Modularity in protein structures: study on all-alpha proteins.

    PubMed

    Khan, Taushif; Ghosh, Indira

    2015-01-01

    Modularity is known as one of the most important features of protein's robust and efficient design. The architecture and topology of proteins play a vital role by providing necessary robust scaffolds to support organism's growth and survival in constant evolutionary pressure. These complex biomolecules can be represented by several layers of modular architecture, but it is pivotal to understand and explore the smallest biologically relevant structural component. In the present study, we have developed a component-based method, using protein's secondary structures and their arrangements (i.e. patterns) in order to investigate its structural space. Our result on all-alpha protein shows that the known structural space is highly populated with limited set of structural patterns. We have also noticed that these frequently observed structural patterns are present as modules or "building blocks" in large proteins (i.e. higher secondary structure content). From structural descriptor analysis, observed patterns are found to be within similar deviation; however, frequent patterns are found to be distinctly occurring in diverse functions e.g. in enzymatic classes and reactions. In this study, we are introducing a simple approach to explore protein structural space using combinatorial- and graph-based geometry methods, which can be used to describe modularity in protein structures. Moreover, analysis indicates that protein function seems to be the driving force that shapes the known structure space.

  2. Study of the structure and dynamics of complex biological networks

    NASA Astrophysics Data System (ADS)

    Samal, Areejit

    2008-12-01

    In this thesis, we have studied the large scale structure and system level dynamics of certain biological networks using tools from graph theory, computational biology and dynamical systems. We study the structure and dynamics of large scale metabolic networks inside three organisms, Escherichia coli, Saccharomyces cerevisiae and Staphylococcus aureus. We also study the dynamics of the large scale genetic network controlling E. coli metabolism. We have tried to explain the observed system level dynamical properties of these networks in terms of their underlying structure. Our studies of the system level dynamics of these large scale biological networks provide a different perspective on their functioning compared to that obtained from purely structural studies. Our study also leads to some new insights on features such as robustness, fragility and modularity of these large scale biological networks. We also shed light on how different networks inside the cell such as metabolic networks and genetic networks are interrelated to each other.

  3. Recombinant Thermus aquaticus RNA Polymerase for Structural Studies

    SciTech Connect

    Juznedelov,K.; Lamour, V.; Patikoglou, G.; Chlenov, M.; Darst, S.; Severinov, K.

    2006-01-01

    Advances in the structural biology of bacterial transcription have come from studies of RNA polymerases (RNAPs) from the thermophilic eubacteria Thermus aquaticus (Taq) and Thermus thermophilus (Tth). These structural studies have been limited by the fact that only endogenous Taq or Tth RNAP, laboriously purified from large quantities of Taq or Tth cell paste and offering few options for genetic modification, is suitable for structural studies. Recombinant systems for the preparation of Taq RNAP by co-overexpression and assembly in the heterologous host, Escherichia coli, have been described, but these did not yield enzyme suitable for crystallographic studies. Here we describe recombinant systems for the preparation of Taq RNAP harboring full or partial deletions of the Taq {beta}' non-conserved domain (NCD), yielding enzyme suitable for crystallographic studies. This opens the way for structural studies of genetically manipulated enzymes, allowing the preparation of more crystallizable enzymes and facilitating detailed structure/function analysis. Characterization of the Taq{beta}'NCD deletion mutants generated in this study showed that the {beta}'NCD is important for the efficient binding of the s subunit, confirming previous hypotheses. Finally, preliminary structural analysis (at 4.1 Angstroms resolution) of one of the recombinant mutants revealed a previously unobserved conformation of the {beta}-flap, further defining the range of conformations accessible to this flexible structural element.

  4. An algorithm for generalizing topography to grids while preserving subscale morphologic characteristics—creating a glacier bed DEM for Jakobshavn trough as low-resolution input for dynamic ice-sheet models

    NASA Astrophysics Data System (ADS)

    Herzfeld, Ute C.; Wallin, Bruce F.; Leuschen, Carlton J.; Plummer, Joel

    2011-11-01

    The objective of this paper is to derive an algorithm for preserving important subscale morphologic characteristics at grids of lower-resolution, in particular for linear features such as canyons and ridge lines. The development of such an algorithm is necessitated by applications that require reduced spatial resolution, as is common in cartographic generalization, GIS applications, and geophysical modeling. Since any algorithm that results in weighted averages, including optimum interpolation and ordinary kriging, cannot reproduce correct depths, a new algorithm is designed based on principles of mathematical morphology. The algorithm described here is applied to derive a subglacial bed of the Greenland Ice Sheet that includes the trough of Jakobshavn Isbræ as a continuous canyon at correct depth in a low-resolution (5-km) digital elevation model (DEM). Data from recent airborne radar measurements of the elevation of the subglacial bed as part of the CReSIS project are utilized. The morphologic algorithm is designed with geophysical ice-sheet modeling in mind, in the following context. Currently occurring changes in the Earth's climate and the cryosphere cause changes in sea level, and the societal relevance of these natural processes motivates estimation of maximal sea-level rise in the medium-term future. The fast-moving outlet glaciers are more sensitive to climatic change than other parts of the Greenland ice sheet. Jakobshavn Isbrae, the fastest-moving ice stream in Greenland, follows a subglacial geologic trough. Since the existence of the trough causes the acceleration of the slow-moving inland ice in the Jakobshavn region and the formation of the ice stream, correct representation of the trough in a DEM is essential to model changes in the dynamics of the ice sheet and resultant sea-level predictions, even if current ice-sheet models can typically be run only at 5-km resolution. The DEM resultant from this study helps to bridge the conceptual gap between

  5. Prospects for HERMES-spin structure studies at HERA

    SciTech Connect

    Jackson, H.E.

    1994-12-31

    HERMES (HERA Measurement of Spin), is a second generation experiment to study the spin structure of the nucleon by using polarized internal gas targets in the HERA 35-GeV electron storage ring. Scattered electrons and coincident hadrons will be detected in an open geometry spectrometer which will include particle identification. Measurements are planned for each of the inclusive structure functions, g{sub 1},(x), g{sub 2}(x), b{sub 1}(x) and A(x), as well as the study of semi-inclusive pion and kaon asymmetries. Targets of hydrogen, deuterium and {sup 3}He will be studied. The accuracy of data for the inclusive structure functions will equal or exceed that of current experiments. The semi-inclusive asymmetries will provide a unique and sensitive probe of the flavor dependence of quark helicity distributions and properties of the quark sea. Monte Carlo simulations of HERMES data for experiment asymmetries and polarized structure functions are discussed.

  6. Selection process for trade study: Graphite Composite Primary Structure (GCPS)

    NASA Technical Reports Server (NTRS)

    Greenberg, H. S.

    1994-01-01

    This TA 2 document describes the selection process that will be used to identify the most suitable structural configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 degree inclination. The most suitable unpressurized graphite composite structures and material selections is within this configuration and will be the prototype design for subsequent design and analysis and the basis for the design and fabrication of payload bay, wing, and thrust structure full scale test articles representing segments of the prototype structures. The selection process for this TA 2 trade study is the same as that for the TA 1 trade study. As the trade study progresses additional insight may result in modifications to the selection criteria within this process. Such modifications will result in an update of this document as appropriate.

  7. The Many Faces of Structure-Based Potentials: From Protein Folding Landscapes to Structural Characterization of Complex Biomolecules

    NASA Astrophysics Data System (ADS)

    Noel, Jeffrey K.; Onuchic, José N.

    Structural biology techniques, such as nuclear magnetic resonance (NMR), x-ray crystallography, and cryogenic electron microscopy (cryo-EM), have provided extraordinary insights into the details of the functional configurations of biomolecular systems. Recent advances in x-ray crystallography and cryo-EM have allowed for structural characterization of large molecular machines such as the ribosome, proteasome, and spliceosome. This deluge of structural data has been complemented by experimental techniques capable of probing dynamic information, such as Förster resonance energy transfer (FRET) and stopped flow spectrometry. While these experimental studies have provided tremendous insights into the dynamics of biomolecular systems, it is often difficult to combine the low resolution dynamical data with the high-resolution structural data into a consistent picture. Computer simulation of these biomolecular systems bridges static structural data with dynamic experiments at atomic resolution (Fig. 1).

  8. Trade study plan for Graphite Composite Primary Structure (GCPS)

    NASA Technical Reports Server (NTRS)

    Greenberg, H. S.

    1994-01-01

    This TA 2 document (with support from TA 1) describes the trade study plan that will identify the most suitable structural configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 degree inclination For this most suitable configuration the structural attachment of the wing, and the most suitable GCPS composite materials for intertank, wing, tail and thrust structure are identified. This trade study analysis uses extensive information derived in the TA 1 trade study plan and is identified within the study plan. In view of this, for convenience, the TA 1 study plan is included as an appendix to this document.

  9. STM Study of Lead and Bismuth Structures on COPPER(001)

    NASA Astrophysics Data System (ADS)

    Chen, Yun

    This work studies the stable room temperature structures of metal on metal overlayers. The purpose of this study is twofold. First, the advent of the atomic imaging technique of Scanning Tunneling Microscopy (STM) makes it now possible to directly observe complicated surface structures. This was demonstrated by the success of unraveling the (7times7)-Si(111) surface structure that had withstood the storm of investigation for over 20 years. We wanted to apply this technique to the study of metallic overlayer structures, a field known for its large variety of structures. The second purpose was to investigate the feasibility and to hopefully develop a simple intuitive approach to metallic overlayer structure prediction, an approach that incorporates explicitly the extended nature of the metallic electron system. The Pb and Bi systems have large numbers of valence electrons per atom. Therefore, the electronic effects are expected to be prominent. The difference between the numbers of valence electrons of the respective atoms is relatively small but significant. This provides an opportunity to observe a quantitative variation of the effects. This study constitutes the first STM investigation of the ordered Pb and Bi structures on Cu(001). Many structural features observed using this technique disagree with the existing models derived from the electron diffraction and other scattering experiments. The differences between our observation and the current structural models are qualitative ones, thus demanding a rethinking and supplementation of the basic ideas involved in the construction of the structural models. Observation of the great similarities between the adsorbed Pb and Bi systems, lead to the new modeling approach. In our discussion, the metal adsorbate layers are described as a simple quasi-two-dimensional metal weakly coupled to the host substrate. This is consistent with the familiar notion that all metals exhibits similar properties. Our detailed analysis also

  10. Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase

    SciTech Connect

    Hevener, Kirk E.; Yun, Mi-Kyung; Qi, Jianjun; Kerr, Iain D.; Babaoglu, Kerim; Hurdle, Julian G.; Balakrishna, Kanya; White, Stephan W.; Lee, Richard E.

    2010-01-12

    Dihydropteroate synthase (DHPS) is a key enzyme in bacterial folate synthesis and the target of the sulfonamide class of antibacterials. Resistance and toxicities associated with sulfonamides have led to a decrease in their clinical use. Compounds that bind to the pterin binding site of DHPS, as opposed to the p-amino benzoic acid (pABA) binding site targeted by the sulfonamide agents, are anticipated to bypass sulfonamide resistance. To identify such inhibitors and map the pterin binding pocket, we have performed virtual screening, synthetic, and structural studies using Bacillus anthracis DHPS. Several compounds with inhibitory activity have been identified, and crystal structures have been determined that show how the compounds engage the pterin site. The structural studies identify the key binding elements and have been used to generate a structure-activity based pharmacophore map that will facilitate the development of the next generation of DHPS inhibitors which specifically target the pterin site.

  11. Imidate-Based Cross-Linkers for Structural Proteomics: Increased Charge of Protein and Peptide Ions and CID and ECD Fragmentation Studies

    NASA Astrophysics Data System (ADS)

    Koolen, Hector H. F.; Gomes, Alexandre F.; Schwab, Nicolas V.; Eberlin, Marcos N.; Gozzo, Fabio C.

    2014-07-01

    Chemical cross-linking is an attractive low-resolution technique for structural studies of protein complexes. Distance constraints obtained from cross-linked peptides identified by mass spectrometry (MS) are used to construct and validate protein models. Amidinating cross-linkers such as diethyl suberthioimidate (DEST) have been used successfully in chemical cross-linking experiments. In this work, the application of a commercial diimidate cross-linking reagent, dimethyl suberimidate (DMS), was evaluated with model peptides and proteins. The peptides were designed with acetylated N-termini followed by random sequences containing two Lys residues separated by an Arg residue. After cross-linking reactions, intra- and intermolecular cross-linked species were submitted to CID and ECD dissociations to study their fragmentation features in the gas phase. Fragmentation of intramolecular peptides by collision induced dissociation (CID) demonstrates a unique two-step fragmentation pathway involving formation of a ketimine as intermediate. Electron capture and electron transfer dissociation (ECD and ETD) experiments demonstrated that the cyclic moiety is not dissociated. Intermolecular species demonstrated previously described fragmentation behavior in both CID and ECD experiments. The charge state distributions (CSD) obtained after reaction with DMS were compared with those obtained with disuccinimidyl suberate (DSS). CSDs for peptides and proteins were increased after their reaction with DMS, owing to the higher basicity of DMS modified species. These features were also observed in LC-MS experiments with bovine carbonic anhydrase II (BCA) after cross-linking with DMS and tryptic proteolysis. Cross-linked peptides derived from this protein were identified at high confidence and those species were in agreement with the crystal structure of BCA.

  12. Geological-structural interpretation using products of remote sensing in the region of Carrancas, Minas Gerais, Brazil

    NASA Technical Reports Server (NTRS)

    Parada, N. D. J. (Principal Investigator); Dossantos, A. R.; Dosanjos, C. E.; Barbosa, M. P.; Veneziani, P.

    1982-01-01

    The efficiency of some criteria developed for the utilization of small scale and low resolution remote sensing products to map geological and structural features was demonstrated. Those criteria were adapted from the Logical Method of Photointerpretation which consists of textural qualitative analysis of landforms and drainage net patterns. LANDSAT images of channel 5 and 7, 4 LANDSAT-RBV scenes, and 1 radar mosiac were utilized. The region of study is characterized by supracrustal metassediments (quartzites and micaschist) folded according to a "zig-zag" pattern and gnaissic basement. Lithological-structural definition was considered outstanding when compared to data acquired during field work, bibliographic data and geologic maps acquired in larger scales.

  13. Unified studies of structure and reactions in light unstable nuclei

    NASA Astrophysics Data System (ADS)

    Ito, Makoto

    2016-06-01

    The generalized two-center cluster model (GTCM), which can treat covalent, ionic and atomic configurations in general systems with two inert cores plus valence nucleons, is formulated in the basis of the microscopic cluster model. In this model, the covalent configurations constructed by the molecular orbital (MO) method and the atomic (or ionic) configuration obtained by the valence bonding (VB) method can be described in a consistent manner. GTCM is applied to the light neutron-rich system, 10,12Be = α + α + XN (X = 2,4), and the unified studies of the structural changes and the reaction problem are performed. In the structure study, the calculated energy levels are characterized in terms of the chemical bonding like structures, such as the covalent MO or ionic VB structures. The chemical bonding structures changes from level to level within a small energy interval. In the unbound region, the structure problem with the total system of α + α + XN and the reaction problem, induced by the collision of an asymptotic VB state of α+6,8He, are combined by GTCM. The properties of unbound resonant states are discussed in a close connection to the reaction mechanism, and some enhancement factors originated from the properties of the intrinsic states are predicted in the reaction observables. The unified calculation of the structures and the reactions is applied to the Coulomb shift problem in the mirror system, such the 10Be and 10C nuclei. The Coulomb displacement energy of the mirror systems are discussed.

  14. Experimental study on wake structure of single rising clean bubble

    NASA Astrophysics Data System (ADS)

    Sato, Ayaka; Takedomi, Yuta; Shirota, Minori; Sanada, Toshiyuki; Watanabe, Masao

    2007-11-01

    Wake structure of clean bubble rising in quiescent silicone oil solution of photochromic dye is experimentally studied. A single bubble is generated, immediately after UV sheet light illuminates the part of the liquid just above the bubble generation nozzle in order to activate photochromic dye. Once the bubble passes across the colored part of the liquid, the bubble is accompanied by some portion of activated dye tracers; hence the flow structure in the rear of the single rising bubble is visualized. We capture stereo images of both wake structure and bubble motion. We study how wake structure changes with the increase in bubble size. We observe the stable axisymmetric wake structure, which is called `standing eddy' when bubble size is relatively small, and then wake structure becomes unstable and starts to oscillate with the increase in bubble size. With further increase in bubble size, a pair of streamwise vortices, which is called `double thread', is observed. We discuss in detail this transition from the steady wake to unsteady wake structure, especially double thread wake development and hairpin vortices shedding, in relation to the transition from rectilinear to spiral or zigzag bubble motions.

  15. The evolution of structured illumination microscopy in studies of HIV.

    PubMed

    Marno, Kelly; Al'Zoubi, Lara; Pearson, Matthew; Posch, Markus; McKnight, Áine; Wheeler, Ann P

    2015-10-15

    The resolution limit of conventional light microscopy has proven to be limiting for many biological structures such as viruses including Human immunodeficiency virus (HIV). Individual HIV virions are impossible to study using confocal microscopy as they are well below the 200 nm resolution limit of conventional light microscopes. Structured illumination microscopy (SIM) allows a twofold enhancement in image resolution compared to standard widefield illumination and so provides an excellent tool for study of HIV. Viral capsids (CAs) vary between 110 and 146 nm so this study challenges the performance of SIM microscopes. SIM microscopy was first developed in 2000, commercialised in 2007 and rapidly developed. Here we present the changes in capabilities of the SIM microscopes for study of HIV localisation as the instrumentation for structured illumination microscopy has evolved over the past 8 years.

  16. Structures, performance, benefit, cost study. [gas turbine engines

    NASA Technical Reports Server (NTRS)

    Feder, E.

    1981-01-01

    Aircraft engine structures were studied to identify the advanced structural technologies that would provide the most benefits to future aircraft operations. A series of studies identified engine systems with the greatest potential for improvements. Based on these studies, six advanced generic structural concepts were selected and conceptually designed. The benefits of each concept were quantitatively assessed in terms of thrust specific fuel consumption, weight, cost, maintenance cost, fuel burned and direct operating cost plus interest. The probability of success of each concept was also determined. The concepts were ranked and the three most promising were selected for further study which consisted of identifying and comprehensively outlining the advanced technologies required to develop these concepts for aircraft engine application. Analytic, fabrication, and test technology developments are required. The technology programs outlined emphasize the need to provide basic, fundamental understanding of technology to obtain the benefit goals.

  17. Neutron Scattering Studies of Nanomagnetism and Artificially Structured Materials

    SciTech Connect

    Fitzsimmons, M.R.; Bader, S.D.; Borchers, J.A.; Felcher, G.P.; Furdyna, J.K.; Hoffmann, A.; Kortright, J.B.; Schuller, Ivan K.; Schulthess, T.C.; Sinha, S.K.; Toney, M.F.; Weller, D.; Wolf, S.

    2003-02-01

    Nanostructured magnetic materials are intensively studied due to their unusual properties and promise for possible applications. The key issues in these materials relate to the connection between their physical properties (transport, magnetism, mechanical, etc.) and their chemical-physical structure. In principle, a detailed knowledge of the chemical and physical structure allows calculation of their physical properties. Theoretical and computational methods are rapidly evolving so that magnetic properties of nanostructured materials might soon be predicted. Success in this endeavor requires detailed quantitative understanding of the magnetic structure and properties.

  18. Structural study of surfactant-dependent interaction with protein

    SciTech Connect

    Mehan, Sumit; Aswal, Vinod K.; Kohlbrecher, Joachim

    2015-06-24

    Small-angle neutron scattering (SANS) has been used to study the complex structure of anionic BSA protein with three different (cationic DTAB, anionic SDS and non-ionic C12E10) surfactants. These systems form very different surfactant-dependent complexes. We show that the structure of protein-surfactant complex is initiated by the site-specific electrostatic interaction between the components, followed by the hydrophobic interaction at high surfactant concentrations. It is also found that hydrophobic interaction is preferred over the electrostatic interaction in deciding the resultant structure of protein-surfactant complexes.

  19. Preliminary space station solar array structural design study

    NASA Technical Reports Server (NTRS)

    Dorsey, J. T.; Bush, H. G.; Mikulas, M. M., Jr.

    1984-01-01

    Structurally efficient ways to support the large solar arrays (3,716 square meters which are currently considered for space station use) are examined. An erectable truss concept is presented for the on orbit construction of winged solar arrays. The means for future growth, maintenance, and repair are integrally designed into this concept. Results from parametric studies, which highlight the physical and structural differences between various configuration options are presented. Consideration is given to both solar blanket and hard panel arrays.

  20. Structure of overheated metal clusters: MD simulation study

    SciTech Connect

    Vorontsov, Alexander

    2015-08-17

    The structure of overheated metal clusters appeared in condensation process was studied by computer simulation techniques. It was found that clusters with size larger than several tens of atoms have three layers: core part, intermediate dense packing layer and a gas- like shell with low density. The change of the size and structure of these layers with the variation of internal energy and the size of cluster is discussed.

  1. Feasibility study of archaeological structures scanning by muon tomography

    SciTech Connect

    Gómez, H.; Katsanevas, S.; Tonazzo, A.; Carloganu, C.; Niess, V.; Gibert, D.; Marteau, J.

    2015-08-17

    One of the main concerns in archaeology is to find of a method to study precisely archaeological structures in the least invasive way possible to avoid damage. The requirement of preserving the structures integrity prevents, in the case of pyramids or tumuli, the study of any internal structure (halls or tombs) which are not reachable by existing corridors. One non-invasive method is the muon tomography. By placing a detector which allows to register the muon direction after the structure, it is possible to have an idea of its composition based on the attenuation of the muon flux, which depends on the material length and density that muons have crossed. This technique, alone or together with other exploration techniques as seismic tomography or electrical resistivity tomography, can provide useful information about the internal structure of the archaeological form that can not be obtained by conventional archaeological methods. In this work, the time measurement necessary to obtain a significant result about the composition of an archaeological structure is estimated. To do that, a Monte Carlo simulation framework based on the MUSIC software, properly tuned for this study, has been developed. The particular case of the Kastas Amfipoli Macedonian tumulus has been considered to perform the simulations.

  2. Structural modeling of proteins by integrating small-angle x-ray scattering data

    NASA Astrophysics Data System (ADS)

    Zhang, Yong-Hui; Peng, Jun-Hui; Zhang, Zhi-Yong

    2015-12-01

    Elucidating the structure of large biomolecules such as multi-domain proteins or protein complexes is challenging due to their high flexibility in solution. Recently, an “integrative structural biology” approach has been proposed, which aims to determine the protein structure and characterize protein flexibility by combining complementary high- and low-resolution experimental data using computer simulations. Small-angle x-ray scattering (SAXS) is an efficient technique that can yield low-resolution structural information, including protein size and shape. Here, we review computational methods that integrate SAXS with other experimental datasets for structural modeling. Finally, we provide a case study of determination of the structure of a protein complex formed between the tandem SH3 domains in c-Cb1-associated protein and the proline-rich loop in human vinculin. Project supported by the National Key Basic Research Program of China (Grant Nos. 2013CB910203 and 2011CB911104), the National Natural Science Foundation of China (Grant No. 31270760), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB08030102), and the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20113402120013).

  3. Study on Dielectric Function Models for Surface Plasmon Resonance Structure

    PubMed Central

    Adikan, Faisal Rafiq Mahamd

    2014-01-01

    The most common permittivity function models are compared and identifying the best model for further studies is desired. For this study, simulations using several different models and an analytical analysis on a practical surface Plasmon structure were done with an accuracy of ∼94.4% with respect to experimental data. Finite element method, combined with dielectric properties extracted from the Brendel-Bormann function model, was utilized, the latter being chosen from a comparative study on four available models. PMID:24616635

  4. Structural and Kinetic Studies of Formate Dehydrogenase from Candida boidinii.

    PubMed

    Guo, Qi; Gakhar, Lokesh; Wickersham, Kyle; Francis, Kevin; Vardi-Kilshtain, Alexandra; Major, Dan T; Cheatum, Christopher M; Kohen, Amnon

    2016-05-17

    The structure of formate dehydrogenase from Candida boidinii (CbFDH) is of both academic and practical interests. First, this enzyme represents a unique model system for studies on the role of protein dynamics in catalysis, but so far these studies have been limited by the availability of structural information. Second, CbFDH and its mutants can be used in various industrial applications (e.g., CO2 fixation or nicotinamide recycling systems), and the lack of structural information has been a limiting factor in commercial development. Here, we report the crystallization and structural determination of both holo- and apo-CbFDH. The free-energy barrier for the catalyzed reaction was computed and indicates that this structure indeed represents a catalytically competent form of the enzyme. Complementing kinetic examinations demonstrate that the recombinant CbFDH has a well-organized reactive state. Finally, a fortuitous observation has been made: the apoenzyme crystal was obtained under cocrystallization conditions with a saturating concentration of both the cofactor (NAD(+)) and inhibitor (azide), which has a nanomolar dissociation constant. It was found that the fraction of the apoenzyme present in the solution is less than 1.7 × 10(-7) (i.e., the solution is 99.9999% holoenzyme). This is an extreme case where the crystal structure represents an insignificant fraction of the enzyme in solution, and a mechanism rationalizing this phenomenon is presented.

  5. Structural studies of several distinct metastable forms of amorphous ice.

    PubMed

    Tulk, C A; Benmore, C J; Urquidi, J; Klug, D D; Neuefeind, J; Tomberli, B; Egelstaff, P A

    2002-08-23

    Structural changes during annealing of high-density amorphous ice were studied with both neutron and x-ray diffraction. The first diffraction peak was followed from the high- to the low-density amorphous form. Changes were observed to occur through a series of intermediate forms that appear to be metastable at each anneal temperature. Five distinct amorphous forms were studied with neutron scattering, and many more forms may be possible. Radial distribution functions indicate that the structure evolves systematically between 4 and 8 angstroms. The phase transformations in low-temperature liquid water may be much more complex than currently understood.

  6. Density Functional Study of the structural properties in Tamoxifen

    NASA Astrophysics Data System (ADS)

    de Coss-Martinez, Romeo; Tapia, Jorge A.; Quijano-Quiñones, Ramiro F.; Canto, Gabriel I.

    2013-03-01

    Using the density functional theory, we have studied the structural properties of Tamoxifen. The calculations were performed with two methodological approaches, which were implemented in SIESTA and Spartan codes. For SIESTA, we considerate a linear combination of atomic orbitals method, using pseudopotentials and the van der Waals approximation for the exchange-correlation potential. Here we analyzed and compared the atomic structure between our results and other theoretical study. We found differences in the bond lengths between the results, that could be attributed to code approaches in each one. This work was supported under Grant FOMIX 2011-09 N: 170297 of Ph.D. A. Tapia.

  7. A structural study of F-actin - filamin networks

    NASA Astrophysics Data System (ADS)

    Ahrens-Braunstein, Ashley; Nguyen, Lam; Hirst, Linda

    2010-03-01

    The cell's ability to move and contract is attributed to the semi-flexible filamentous protein, F -actin, one of the three filaments in the cytoskeleton. Actin bundling can be formed by a cross-linking actin binding protein (ABP) filamin. By examining filamin's cross-linking abilities at different concentrations and molar ratios, we can study the flexibility, structure and multiple network formations created when cross-linking F-actin with this protein. We have studied the phase diagram of this protein system using fluorescence microscopy, analyzing the network structures observed in the context of a coarse grained molecular dynamics simulation carried out by our group.

  8. Synthesis, Structural, Electrical and Magnetic Studies of Ni- Ferrite Nanoparticles

    NASA Astrophysics Data System (ADS)

    Godbole, Bhavana; Badera, Nitu; Shrivastava, S. B.; Jain, Deepti; Chandra, L. S. Sharath; Ganesan, V.

    Mono-dispersed NiFe2O4 nanoparticles have been synthesized using a stable ferric salt of FeCl3 with co-precipitation technique, for study of their structural, morphological and magnetic properties. The XRD pattern conforms the formation of FCC structure with the lattice constant 8.31Ao. The crystallite size was found to increase with the bath temperature ranging from 33 nm to 55 nm. The AFM results revealed that uniform disc shaped particles were obtained. The resistivity measurements show a metal like to semiconductor transition, which depends on the size of the grains. The magnetic study reveals that saturation magnetization increases with the grain thickness.

  9. Polarization-correlation study of biotissue multifractal structure

    NASA Astrophysics Data System (ADS)

    Olar, O. I.; Ushenko, A. G.

    2003-09-01

    This paper presents the results of polarization-correlation study of multifractal collagen structure of physiologically normal and pathologically changed tissues of women"s reproductive sphere and skin. The technique of polarization selection of coherent images of biotissues with further determination of their autocorrelation functions and spectral densities is suggested. The correlation-optical criteria of early diagnostics of appearance of pathological changes in the cases of myometry (forming the germ of fibromyoma) and skin (psoriasis) are determined. This study is directed to investigate the possibilities of recognition of pathological changes of biotissue morphological structure by determining the polarization-dependent autocorrelation functions (ACF) and corresponding spectral densities of tissue coherent images.

  10. Study on voids of epoxy matrix composites sandwich structure parts

    NASA Astrophysics Data System (ADS)

    He, Simin; Wen, Youyi; Yu, Wenjun; Liu, Hong; Yue, Cheng; Bao, Jing

    2017-03-01

    Void is the most common tiny defect of composite materials. Porosity is closely related to composite structure property. The voids forming behaviour in the composites sandwich structural parts with the carbon fiber reinforced epoxy resin skins was researched by adjusting the manufacturing process parameters. The composites laminate with different porosities were prepared with the different process parameter. The ultrasonic non-destructive measurement method for the porosity was developed and verified through microscopic examination. The analysis results show that compaction pressure during the manufacturing process had influence on the porosity in the laminate area. Increasing the compaction pressure and compaction time will reduce the porosity of the laminates. The bond-line between honeycomb core and carbon fiber reinforced epoxy resin skins were also analyzed through microscopic examination. The mechanical properties of sandwich structure composites were studied. The optimization process parameters and porosity ultrasonic measurement method for composites sandwich structure have been applied to the production of the composite parts.

  11. Study of nanoscale structural biology using advanced particle beam microscopy

    NASA Astrophysics Data System (ADS)

    Boseman, Adam J.

    This work investigates developmental and structural biology at the nanoscale using current advancements in particle beam microscopy. Typically the examination of micro- and nanoscale features is performed using scanning electron microscopy (SEM), but in order to decrease surface charging, and increase resolution, an obscuring conductive layer is applied to the sample surface. As magnification increases, this layer begins to limit the ability to identify nanoscale surface structures. A new technology, Helium Ion Microscopy (HIM), is used to examine uncoated surface structures on the cuticle of wild type and mutant fruit flies. Corneal nanostructures observed with HIM are further investigated by FIB/SEM to provide detailed three dimensional information about internal events occurring during early structural development. These techniques are also used to reconstruct a mosquito germarium in order to characterize unknown events in early oogenesis. Findings from these studies, and many more like them, will soon unravel many of the mysteries surrounding the world of developmental biology.

  12. A study of structural concepts for ultralightweight spacecraft

    NASA Technical Reports Server (NTRS)

    Miller, R. K.; Knapp, K.; Hedgepeth, J. M.

    1984-01-01

    Structural concepts for ultralightweight spacecraft were studied. Concepts for ultralightweight space structures were identified and the validity of heir potential application in advanced spacecraft was assessed. The following topics were investigated: (1) membrane wrinkling under pretensioning; (2) load-carrying capability of pressurized tubes; (3) equilibrium of a precompressed rim; (4) design of an inflated reflector spacecraft; (5) general instability of a rim; and (6) structural analysis of a pressurized isotensoid column. The design approaches for a paraboloidal reflector spacecraft included a spin-stiffened design, both inflated and truss central columns, and to include both deep truss and rim-stiffened geodesic designs. The spinning spacecraft analysis is included, and the two truss designs are covered. The performances of four different approaches to the structural design of a paraboloidal reflector spacecraft are compared. The spinning and inflated configurations result in very low total masses and some concerns about their performance due to unresolved questions about dynamic stability and lifetimes, respectively.

  13. Fundamental studies of heat load and thermal-structure analysis of large space structures

    NASA Technical Reports Server (NTRS)

    Thornton, E. A.

    1983-01-01

    Investigation of the basic requirements for modeling slender member shadowing effects on thermally induced deformation continues. The theoretical formulation is complete and computer programming is underway. The basic requirements for thermal finite elements to model heat transfer in orbiting structures were also studied. The need for planar isothermal elements to model large space structures' antenna meshes was established. Finite Element approaches for modeling space structure cable and membrane components with thermal effects is underway. Three levels of structural modeling and analysis were identified: (1) a linear-elastic small deflection analysis that does not permit cable slackening; (2) a linear-elastic analysis that includes stress stiffening (the ANSYS program), but not large deflections; and (3) full nonlinear large deflection analysis with stress stiffening. Methods of determining cable initial tensions are currently being evaluated.

  14. Structural Concepts Study of Non-circular Fuselage Configurations

    NASA Technical Reports Server (NTRS)

    Mukhopadhyay, Vivel

    1996-01-01

    A preliminary study of structural concepts for noncircular fuselage configurations is presented. For an unconventional flying-wing type aircraft, in which the fuselage is inside the wing, multiple fuselage bays with non-circular sections need to be considered. In a conventional circular fuselage section, internal pressure is carried efficiently by a thin skin via hoop tension. If the section is non-circular, internal pressure loads also induce large bending stresses. The structure must also withstand additional bending and compression loads from aerodynamic and gravitational forces. Flat and vaulted shell structural configurations for such an unconventional, non-circular pressurized fuselage of a large flying-wing were studied. A deep honeycomb sandwich-shell and a ribbed double-wall shell construction were considered. Combinations of these structural concepts were analyzed using both analytical and simple finite element models of isolated sections for a comparative conceptual study. Weight, stress, and deflection results were compared to identify a suitable configuration for detailed analyses. The flat sandwich-shell concept was found preferable to the vaulted shell concept due to its superior buckling stiffness. Vaulted double-skin ribbed shell configurations were found to be superior due to their weight savings, load diffusion, and fail-safe features. The vaulted double-skin ribbed shell structure concept was also analyzed for an integrated wing-fuselage finite element model. Additional problem areas such as wing-fuselage junction and pressure-bearing spar were identified.

  15. Clavicular caution: an anatomic study of neurovascular structures.

    PubMed

    Robinson, Luke; Persico, Federico; Lorenz, Eric; Seligson, David

    2014-12-01

    Open reduction and internal fixation of the clavicle is used to treat displaced fractures of the midshaft of the clavicle. Complications of operative intervention include injuries to major neurovascular structures including the subclavian artery and vein. Unlike other surgical approaches, palpation or visualization of the deep neurovascular structures at risk is rarely performed and is not part of the routine approach. This study aims to further elucidate the relationship of major neurovascular structures in the shoulder to the clavicle using sectioned fresh frozen cadaveric specimens. Using five cadaveric specimens, sagittal sections were performed using a band saw. Sections were taken every 15mm. Using these sections, structures were identified and photos were taken using a standardized approach to allow for precise and accurate measurements. Measurements taken included the distance from the nearest clavicular cortex to the centre of the subclavian artery, vein, and brachial plexus. These measurements were taken from five limbs on five different cadavers. Our results were consistent with previous studies. Medially, the subclavian vein was intimately related medially (4.8mm) to the clavicle, whereas the artery and brachial plexus were both >2cm from the clavicle. At about the junction of the middle and second-thirds of the clavicle, all three structures were within 2cm of the clavicle. Moving laterally, these structures moved further away and at the acromioclavicular (AC) joint were at least 4.5cm away from the clavicle on average. This study reiterates that the medial third of the clavicle is closely associated with neurovascular structures and that care should be taken here when using drills, depth gauges, and clamps.

  16. Structuralism.

    ERIC Educational Resources Information Center

    Piaget, Jean

    Provided is an overview of the analytical method known as structuralism. The first chapter discusses the three key components of the concept of a structure: the view of a system as a whole instead of so many parts; the study of the transformations in the system; and the fact that these transformations never lead beyond the system but always…

  17. Neutron scattering studies on chromatin higher-order structure

    SciTech Connect

    Graziano, V.; Gerchman, S.E.; Schneider, D.K.; Ramakrishnan, V.

    1994-12-31

    We have been engaged in studies of the structure and condensation of chromatin into the 30nm filament using small-angle neutron scattering. We have also used deuterated histone H1 to determine its location in the chromatin 30nm filament. Our studies indicate that chromatin condenses with increasing ionic strength to a limiting structure that has a mass per unit length of 6-7 nucleosomes/11 nm. They also show that the linker histone H1/H5 is located in the interior of the chromatin filament, in a position compatible with its binding to the inner face of the nucleosome. Analysis of the mass per unit length as a function of H5 stoichiometry suggests that 5-7 contiguous nucleosomes need to have H5 bound before a stable higher order structure can exist.

  18. Fluid-thermal-structural study of aerodynamically heated leading edges

    NASA Technical Reports Server (NTRS)

    Deuchamphai, Pramote; Thornton, Earl A.; Wieting, Allan R.

    1988-01-01

    A finite element approach for integrated fluid-thermal-structural analysis of aerodynamically heated leading edges is presented. The Navier-Stokes equations for high speed compressible flow, the energy equation, and the quasi-static equilibrium equations for the leading edge are solved using a single finite element approach in one integrated, vectorized computer program called LIFTS. The fluid-thermal-structural coupling is studied for Mach 6.47 flow over a 3-in diam cylinder for which the flow behavior and the aerothermal loads are calibrated by experimental data. Issues of the thermal-structural response are studied for hydrogen-cooled, super thermal conducting leading edges subjected to intense aerodynamic heating.

  19. Isotope labeling for NMR studies of macromolecular structure and interactions

    SciTech Connect

    Wright, P.E.

    1994-12-01

    Implementation of biosynthetic methods for uniform or specific isotope labeling of proteins, coupled with the recent development of powerful heteronuclear multidimensional NMR methods, has led to a dramatic increase in the size and complexity of macromolecular systems that are now amenable to NMR structural analysis. In recent years, a new technology has emerged that combines uniform {sup 13}C, {sup 15}N labeling with heteronuclear multidimensional NMR methods to allow NMR structural studies of systems approaching 25 to 30 kDa in molecular weight. In addition, with the introduction of specific {sup 13}C and {sup 15}N labels into ligands, meaningful NMR studies of complexes of even higher molecular weight have become feasible. These advances usher in a new era in which the earlier, rather stringent molecular weight limitations have been greatly surpassed and NMR can begin to address many central biological problems that involve macromolecular structure, dynamics, and interactions.

  20. Thermal-structural combined loads design criteria study

    NASA Technical Reports Server (NTRS)

    Deriugin, V.; Brogren, E. W.; Jaeck, C. L.; Brown, A. L.; Clingan, B. E.

    1972-01-01

    A study was conducted to determine methodology for combining thermal structural loads and assessing the effects of the combined loads on the design of a thermal protection system and a hot structure of a high cross range delta wing space shuttle orbiter vehicle. The study presents guidelines for establishing a basis for predicting thermal and pressure environments and for determining limit and ultimate design loads on the vehicle during reentry. Limit trajectories were determined by using dispersions on a representative nominal mission and system parameters expected during the life of the vehicle. Nine chosen locations on the vehicle surface having TPS or hot structures were examined, and weight sensitivity analyses were performed for each location.

  1. Structural Studies of GABAA Receptor Binding Sites: Which Experimental Structure Tells us What?

    PubMed Central

    Puthenkalam, Roshan; Hieckel, Marcel; Simeone, Xenia; Suwattanasophon, Chonticha; Feldbauer, Roman V.; Ecker, Gerhard F.; Ernst, Margot

    2016-01-01

    Atomic resolution structures of cys-loop receptors, including one of a γ-aminobutyric acid type A receptor (GABAA receptor) subtype, allow amazing insights into the structural features and conformational changes that these pentameric ligand-gated ion channels (pLGICs) display. Here we present a comprehensive analysis of more than 30 cys-loop receptor structures of homologous proteins that revealed several allosteric binding sites not previously described in GABAA receptors. These novel binding sites were examined in GABAA receptor homology models and assessed as putative candidate sites for allosteric ligands. Four so far undescribed putative ligand binding sites were proposed for follow up studies based on their presence in the GABAA receptor homology models. A comprehensive analysis of conserved structural features in GABAA and glycine receptors (GlyRs), the glutamate gated ion channel, the bacterial homologs Erwinia chrysanthemi (ELIC) and Gloeobacter violaceus GLIC, and the serotonin type 3 (5-HT3) receptor was performed. The conserved features were integrated into a master alignment that led to improved homology models. The large fragment of the intracellular domain that is present in the structure of the 5-HT3 receptor was utilized to generate GABAA receptor models with a corresponding intracellular domain fragment. Results of mutational and photoaffinity ligand studies in GABAA receptors were analyzed in the light of the model structures. This led to an assignment of candidate ligands to two proposed novel pockets, candidate binding sites for furosemide and neurosteroids in the trans-membrane domain were identified. The homology models can serve as hypotheses generators, and some previously controversial structural interpretations of biochemical data can be resolved in the light of the presented multi-template approach to comparative modeling. Crystal and cryo-EM microscopic structures of the closest homologs that were solved in different conformational

  2. Studying the electronic and phononic structure of penta-graphane

    PubMed Central

    Einollahzadeh, Hamideh; Fazeli, Seyed Mahdi; Dariani, Reza Sabet

    2016-01-01

    Abstract In this paper, we theoretically consider a two dimensional nanomaterial which is a form of hydrogenated penta-graphene; we call it penta-graphane. This structure is obtained by adding hydrogen atoms to the sp2 bonded carbon atoms of penta-graphene. We investigate the thermodynamic and mechanical stability of penta-graphane. We also study the electronic and phononic structure of penta-graphane. Firstly, we use density functional theory with the revised Perdew–Burke–Ernzerhof approximation to compute the band structure. Then one–shot GW (G0W0) approach for estimating accurate band gap is applied. The indirect band gap of penta-graphane is 5.78 eV, which is close to the band gap of diamond. Therefore, this new structure is a good electrical insulator. We also investigate the structural stability of penta-graphane by computing the phonon structure. Finally, we calculate its specific heat capacity from the phonon density of states. Penta-graphane has a high specific heat capacity, and can potentially be used for storing and transferring energy. PMID:27877907

  3. Structure-property study of keto-ether polyimides

    NASA Technical Reports Server (NTRS)

    Dezern, James F.; Croall, Catharine I.

    1991-01-01

    As part of an on-going effort to develop an understanding of how changes in the chemical structure affect polymer properties, an empirical study was performed on polyimides containing only ether and/or carbonyl connecting groups in the polymer backbone. During the past two decades the structure-property relationships in linear aromatic polyimides have been extensively investigated. More recently, work has been performed to study the effect of isomeric attachment of keto-ether polyimides on properties such as glass transition temperature and solubility. However, little work has been reported on the relation of polyimide structure to mechanical properties. The purpose of this study was to determine the effect of structural changes in the backbone of keto-ether polyimides on their mechanical properties, specifically, unoriented thin film tensile properties. This study was conducted in two stages. The purpose of the initial stage was to examine the physical and mechanical properties of a representative group (four) of polyimide systems to determine the optimum solvent and cure cycle requirements. These optimum conditions were then utilized in the second stage to prepare films of keto-ether polyimides which were evaluated for mechanical and physical properties. All of the polyimides were prepared using isomers of oxydianiline (ODA) and diaminobenzophenone (DABP) in combination with 3,3',4,4'-benzophenonetetracarboxylic dianhydride (BTDA) and 4,4'-oxydiphthalic anhydride (ODPA).

  4. HREM study of structure of supported Pt catalysts

    NASA Astrophysics Data System (ADS)

    Yao, Ming-Hui; Smith, David J.; Kalakkad, Dinesh; Datye, Abhaya K.

    1993-03-01

    The surface structure and morphology of Pt catalysts supported on various oxides were studied by HREM profile imaging. An unstable Ti oxide overlayer and a stable crystalline monolayer on TiO2 supported Pt particles were observed after HTR at 923K. The overlayers could explain the SMSI in Pt/TiO2.

  5. Revolutionary opportunities for materials and structures study, addendum

    NASA Technical Reports Server (NTRS)

    Feig, P. D.

    1987-01-01

    This report is an addendum to the Revolutionary Opportunities for Materials and Structures Study (ROMS), modifying the original by the addition of two tasks. The primary purpose of these tasks was to conduct additional aircraft/engine sizing and mission analysis to obtain contributory aircraft performance data such as fuel burns and direct operating costs for both the subsonic and supersonic engines.

  6. Structure, Agency, Complexity Theory and Interdisciplinary Research in Education Studies

    ERIC Educational Resources Information Center

    Smith, John A.

    2013-01-01

    This article argues that Education Studies needs to develop its existing interdisciplinarity understanding of structures and agencies by giving greater attention to the modern process theories of self-organisation in the physical, biological, psychological and social sciences, sometimes given the umbrella term "complexity theory". The…

  7. A Study of Structural Phase Transitions Using Light Scattering Techniques.

    DTIC Science & Technology

    1981-12-01

    n.g (a" &"I* L TYPE OF REPORT a PERID COVER=o rinal Report, A Study of structural phase transitions using October 1981 light scattering tenchniques S...SWWJUTY CLPWICATION OP ThIS PAGE (VIM1- Sum • . i i - • .. . . . ’ ’ .... . . . ’ ’ ’ . . L .. .. . ’.. . Table of contents 1) Results Page (a

  8. Neutron scatter studies of chromatin structures related to functions

    SciTech Connect

    Bradbury, E.M.

    1991-01-01

    We have completed a study on the structure of trypsin trimmed histone octamers using small angle neutron and X-ray scattering studies and nuclear magnetic resonance. We have also completed studies on the structure of TFIIIA induced DNA bending by a circular permutation gel electrophoresis assay. Individual acetylated species of core histones from butyrate treated HeLa cells were isolated and reconstituted into nucleosomes using a 5S rDNA nucleosome positioning DNA sequence from sea urchin. These nucleosomes were characterized by sulfhydryl group probing, nucleoprotein particle gel electrophoresis and DNase I footprinting. Fully acetylated species of histones H3 and H4 were also reconstituted in closed circular minichromosomes and the effect of DNA topology changes caused by acetylation was studied. Finally, protamines isolated from human sperm were characterized and a full set of core histones were isolated and characterized. 7 refs.

  9. Structural studies on an internal loop from a hairpin ribozyme

    SciTech Connect

    Cai, Z.; SantaLucia, J. Jr.; Tinoco, I. Jr.

    1994-12-01

    Ribozymes, RNA enzymes, catalyze site-specific RNA cleavage and ligation reactions. We are studying the three-dimensional structure of a hairpin ribozyme derived from the minus strand of tobacco ring spot virus satellite RNA ((-)sTRSV), which has been engineering to specifically cleave the HIV-1 RNA. The minimum structure for the catalytic reaction involves a 50-nucleotide ribozyme and a 14-nucleotide substrate. The proposed secondary structure of the ribozyme-substrate complex consists of four short helices separated by two internal loops. The relatively large size (64-nucleotide) of the ribozyme-substrate complex presents formidable problems in solving the structure using NMR. Therefore we are studying smaller structural subunits of the complex. We are determining the high resolution structure of the symmetric internal loop involving the cleavage site and the flanking helices. One strand of the internal loop was selectively {sup 13}C-labeled at C8 of each purine and C6 of each pyrimidine. By using {sup 13}C-edited two-dimensional NMR, the proton NOESY spectrum was greatly simplified. This allowed unambiguous sequential proton resonance assignments along each strand. Three-dimensional {sup 1}-{sup 13}C HMQC-NOESY was used to further facilitate resonance assignments. We are also enzymatically synthesizing the entire 50-nucleotide ribozyme and will combine it with the {sup 13}C-labeled substrate. Through comparison of the NOE connectivities of the labeled nucleotides from the internal loop alone with those from the entire complex, the differences between the two structures can be elucidated.

  10. High-pressure structural study of MnF2

    DOE PAGES

    Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; ...

    2015-02-01

    In this study, manganese fluoride (MnF2) with the tetragonal rutile-type structure has been studied using a synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy in a diamond anvil cell up to 60 GPa at room temperature combined with first-principles density functional calculations. The experimental data reveal two pressure-induced structural phase transitions with the following sequence: rutile → SrI2 type (3 GPa)→ α–PbCl2 type (13 GPa). Complete structural information, including interatomic distances, has been determined in the case of MnF2 including the exact structure of the debated first high-pressure phase. First-principles density functional calculations confirm this phase transition sequence, and themore » two calculated transition pressures are in excellent agreement with the experiment. Lattice dynamics calculations also reproduce the experimental Raman spectra measured for the ambient and high-pressure phases. The results are discussed in line with the possible practical use of rutile-type fluorides in general and specifically MnF2 as a model compound to reveal the HP structural behavior of rutile-type SiO2 (Stishovite).« less

  11. Structural and spectroscopic studies of the native hemocyanin from Maia squinado and its structural subunits

    NASA Astrophysics Data System (ADS)

    Dolashka-Angelova, Pavlina; Hristova, Rumijana; Schuetz, Juergen; Stoeva, Stanka; Schwarz, Heinz; Voelter, Wolfgang

    2000-09-01

    The dodecameric hemocyanin of the crab Maia squinado contains five major electrophoretically separable polypeptide chains (structural subunits) which have been purified by FPLC ion exchange chromatography. The various proteins have been characterized by fluorescence spectroscopy, combined with fluorescence quenching studies, using acrylamide, caesium chloride and potassium iodide as tryptophan quenchers. The results show that the tryptophyl side chains of dodecameric Hc are deeply buried in hydrophobic regions of the hemocyanin aggregates and the quenching efficiency values for the native Hc in comparison with those from the constituent subunits are two to four times less. The conformational stabilities of the native dodecameric aggregate and its isolated structural subunits towards various denaturants (pH, temperature, guanidinium hydrochloride) indicate that the quaternary structure is stabilized by hydrophilic and polar forces, whereby, both, the oxy- and apo-forms of the protein have been considered. The critical temperatures for the structural subunits, Tc, determined by fluorescence spectroscopy, are in the region of 50-60°C, coinciding with the melting temperatures, Tm, determined by CD spectroscopy. The free energy of stabilization in water, Δ GDH 2O , toward guanidinium hydrochloride is about two times higher for the dodecamer as compared to the isolated subunits. These studies reveal that oligomerization between functional subunits has a stabilizing effect on the whole molecule and differences in the primary structures result in different stabilities of the subunits.

  12. Computational Study of Colloidal Droplet Interactions with Three Dimensional Structures

    DTIC Science & Technology

    2015-05-18

    SECURITY CLASSIFICATION OF: The colloidal droplet spreading on and sorption into a porous medium is important to 3D printing technology. In this study... colloidal fluid distribution in the porous structure after sorption of single/multiple droplets in powder beds. The spreading of the droplet on the surface...Feb-2015 Approved for Public Release; Distribution Unlimited Final Report: Computational Study of Colloidal Droplet Interactions with Three Dimensional

  13. ADVANCED SOLIDS NMR STUDIES OF COAL STRUCTURE AND CHEMISTRY

    SciTech Connect

    1997-09-01

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utilization of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. The main activity during this granting period was a completion of a detailed comparative analysis of the suite of spectral editing techniques developed in our laboratory for this purpose. The appended report is a manuscript being submitted to the Journal of Magnetic Resonance on this subject.

  14. Rf breakdown studies in copper electron linac structures

    SciTech Connect

    Wang, J.W.; Loew, G.A.

    1989-03-01

    This paper presents a summary of rf breakdown-limited electric fields observed in experimental linac structures at SLAC and a discussion of how these experiments can be interpreted against the background of existing, yet incomplete, theories. The motivation of these studies, begun in 1984, is to determine the maximum accelerating field gradients that might be used safely in future e/sup /+-// colliders, to contribute to the basic understanding of the rf breakdown mechanism, and to discover if a special surface treatment might make it possible to supersede the field limits presently reachable in room temperature copper structures. 6 refs., 4 figs., 1 tab.

  15. Studies of N* Structure from the CLAS Meson Electroproduction Data

    SciTech Connect

    Mokeev, Viktor I.; Aznauryan, Inna G.

    2014-01-01

    The transition {gamma}{sub v}pN amplitudes (electrocouplings) for prominent excited nucleon states obtained in a wide area of photon virtualities offer valuable information for the exploration of the N structure at different distances and allow us to access the complex dynamics of non-perturbative strong interaction. The current status in the studies of {gamma}{sub v}pN electrocouplings from the data on exclusive meson electroproduction off protons measured with the CLAS detector at Jefferson Lab is presented. The impact of these results on exploration of the N structure is discussed.

  16. Simplified DGS procedure for large-scale genome structural study.

    PubMed

    Jung, Yong-Chul; Xu, Jia; Chen, Jun; Kim, Yeong; Winchester, David; Wang, San Ming

    2009-11-01

    Ditag genome scanning (DGS) uses next-generation DNA sequencing to sequence the ends of ditag fragments produced by restriction enzymes. These sequences are compared to known genome sequences to determine their structure. In order to use DGS for large-scale genome structural studies, we have substantially revised the original protocol by replacing the in vivo genomic DNA cloning with in vitro adaptor ligation, eliminating the ditag concatemerization steps, and replacing the 454 sequencer with Solexa or SOLiD sequencers for ditag sequence collection. This revised protocol further increases genome coverage and resolution and allows DGS to be used to analyze multiple genomes simultaneously.

  17. Real-time study of electromigration in Sn Blech structure

    NASA Astrophysics Data System (ADS)

    Ho, C. E.; Hsieh, W. Z.; Yang, C. H.; Lee, P. T.

    2016-12-01

    Electromigration has become a critical issue for reliability in Sn-based conducting materials that are used in advanced microelectronic packages with micro-joint integration. In this study, a Blech structure was used to characterize the Sn electromigration behavior of various strip lengths (L0 = 10-100 μm). We established a mathematical model based on the fundamental electromigration theory to describe the correlation between the residual strip length (L) and the current stressing time (t). A three-stage mechanism was proposed to rationalize the Sn electromigration in the Blech structure. A good agreement between the mathematical model and experimental data was obtained, advancing our understanding of Sn electromigration.

  18. Lunar Lander Structural Design Studies at NASA Langley

    NASA Technical Reports Server (NTRS)

    Wu, K. Chauncey; Antol, Jeffrey; Watson, Judith J.; Flick, John J.; Saucillo, Rudolph J.; Mazanek, Daniel D.; North, David D.

    2007-01-01

    The National Aeronautics and Space Administration is currently developing mission architectures, vehicle concepts and flight hardware to support the planned human return to the Moon. During Phase II of the 2006 Lunar Lander Preparatory Study, a team from the Langley Research Center was tasked with developing and refining two proposed Lander concepts. The Descent-Assisted, Split Habitat Lander concept uses a disposable braking stage to perform the lunar orbit insertion maneuver and most of the descent from lunar orbit to the surface. The second concept, the Cargo Star Horizontal Lander, carries ascent loads along its longitudinal axis, and is then rotated in flight so that its main engines (mounted perpendicular to the vehicle longitudinal axis) are correctly oriented for lunar orbit insertion and a horizontal landing. Both Landers have separate crew transport volumes and habitats for surface operations, and allow placement of large cargo elements very close to the lunar surface. As part of this study, lightweight, efficient structural configurations for these spacecraft were proposed and evaluated. Vehicle structural configurations were first developed, and preliminary structural sizing was then performed using finite element-based methods. Results of selected structural design and trade studies performed during this activity are presented and discussed.

  19. Permeability study of cancellous bone and its idealised structures.

    PubMed

    Syahrom, Ardiyansyah; Abdul Kadir, Mohammed Rafiq; Harun, Muhamad Nor; Öchsner, Andreas

    2015-01-01

    Artificial bone is a suitable alternative to autografts and allografts, however their use is still limited. Though there were numerous reports on their structural properties, permeability studies of artificial bones were comparably scarce. This study focused on the development of idealised, structured models of artificial cancellous bone and compared their permeability values with bone surface area and porosity. Cancellous bones from fresh bovine femur were extracted and cleaned following an established protocol. The samples were scanned using micro-computed tomography (μCT) and three-dimensional models of the cancellous bones were reconstructed for morphology study. Seven idealised and structured cancellous bone models were then developed and fabricated via rapid prototyping technique. A test-rig was developed and permeability tests were performed on the artificial and real cancellous bones. The results showed a linear correlation between the permeability and the porosity as well as the bone surface area. The plate-like idealised structure showed a similar value of permeability to the real cancellous bones.

  20. Rf breakdown studies in a SLAC disk-loaded structure

    SciTech Connect

    Wang, J.W.; Nguyen-Tuong, V.; Loew, G.A.

    1986-04-01

    Rf breakdown studies in an S-band standing-wave disk-loaded accelerator structure have been completed. An equivalent traveling-wave accelerating gradient as high as 147 MV/m and a peak field in excess of 300 MV/m have been obtained. At these high gradients, considerable amounts of field emission and x-ray radiation are observed. Some of the field-emitted electrons are captured and focused by the rf fields and can be extracted on the axis of the structure. Their current, energy distribution and the x-ray radiation they produce are given. Rf processing as measured by the frequency of breakdown and the reduction in field emitted electron currents inside the structure can be speeded up considerably by the presence of argon. Some conjectures on the causes of breakdown are presented.

  1. Analytical studies of spectrum broadcast structures in quantum Brownian motion

    NASA Astrophysics Data System (ADS)

    Tuziemski, J.; Korbicz, J. K.

    2016-11-01

    Spectrum broadcast structures are a new and fresh concept in the quantum-to-classical transition, introduced recently in the context of decoherence and the appearance of objective features in quantum mechanics. These are specific quantum state structures, responsible for the objectivization of the decohered state of a system. Recently, they have been demonstrated by means of the well-known quantum Brownian motion model of the recoilless limit (infinitely massive central system), as the principal interest lies in information transfer from the system to the environment. However, a final analysis relied on numerics. Here, after a presentation of the main concepts, we perform analytical studies of the model, showing the timescales and the efficiency of the spectrum broadcast structure formation. We consider a somewhat simplified environment, being random with a uniform distribution of frequencies.

  2. Electronic structure studies of nanocrystalline diamond grain boundaries

    SciTech Connect

    Zapol, P.; Sternberg, M.; Frauenheim, T.; Gruen, D. M.; Curtiss, L. A.

    1999-11-29

    Diamond growth from hydrogen-poor plasmas results in diamond structures that are profoundly different from conventionally CVD-grown diamond. High concentration of carbon dimers in the microwave plasma results in a high rate of heterogeneous renucleation leading to formation of nanocrystalline diamond with a typical grain size of 3--10 nm. Therefore, up to 10% of carbon atoms are located in the grain boundaries. In this paper the authors report on density-functional based tight-binding molecular dynamics calculations of the structure of a {Sigma}13 twist (100) grain boundary in diamond. Beginning with a coincidence site lattice model, simulated annealing of the initial structure was performed at 1,500 K followed by relaxation toward lower temperatures. About one-half of the carbons in the grain boundary are found to be three-coordinated. Coordination numbers, bond length and bond angle distributions are analyzed and compared to those obtained in previous studies.

  3. Structural and Optical Study of Chemical Bath Deposited Nano-Structured CdS Thin Films

    NASA Astrophysics Data System (ADS)

    Kumar, Suresh; Sharma, Dheeraj; Sharma, Pankaj; Sharma, Vineet; Barman, P. B.; Katyal, S. C.

    2011-12-01

    CdS is commonly used as window layer in polycrystalline solar cells. The paper presents a structural and optical study of CdS nano-structured thin films. High quality CdS thin films are grown on commercial glass by means of chemical bath deposition. It involves an alkaline solution of cadmium salt, a complexant, a chalcogen source and a non-ionic surfactant. The films have been prepared under various process parameters. The chemically deposited films are annealed to estimate its effect on the structural and optical properties of films. These films (as -deposited and annealed) have been characterized by means of XRD, SEM and UV-Visible spectrophotometer. XRD of films show the nano-crystalline nature. The energy gap of films is found to be of direct in nature.

  4. Probabilistic description of ice-supersaturated layers in low resolution profiles of relative humidity N. C. Dickson, K. Gierens, H. L. Rogers, R. L. Jones

    NASA Astrophysics Data System (ADS)

    Dickson, N.

    2009-12-01

    , irrespective of season and altitude, however, pressure layer depth is an important variable. Using this empirical understanding of the s-shaped relationship a mathematical model was developed to represent the ISS fraction within any arbitrary thick pressure layer. Here the statistical distributions of actual high resolution RHi observations in any thick pressure layer, along with an error function, are used to mathematically describe the s-shape. Two models were developed to represent both 50 and 100 hPa pressure layers with each reconstructing their respective s-shapes within 8-10% of the empirical curves. These new models can be used, to represent the small scale structures of ISS events, in modelled data where only low vertical resolution is available. This will be useful in understanding, and improving the global distribution, both observed and forecasted, of ice super-saturation.

  5. Experimental studies of adaptive structures for precision performance

    NASA Technical Reports Server (NTRS)

    Chen, G.-S.; Lurie, B. J.; Wada, B. K.

    1989-01-01

    An experimental study was made of the adaptive structure concept. Experimental data were obtained for a three-longeron, thirteen-bay truss-type test structure. This test structure can be softly suspended as well as rigidly clamped at the central bay. The load-carrying active member consists of a stack of concentric piezoelectric wafers, an eddy current displacement sensor, and a strain gage force sensor. A bridge (or compound) feedback technique developed in communication engineering is applied to the problem of active damping augmentation in adaptive structures. Using collocated force and velocity feedback around the active member, a desired output mechanical impedance can be implemented to maximize energy absorption by the active members. In addition, large gains can be implemented to linearize the active member's nonlinear behavior. Good agreements with linear finite element analysis was found for both static and dynamic structural responses. An 11 percent damping in the first bending mode was demonstrated in the closed-loop damping experiment.

  6. Studies on structural stability of thermophilic Sulfolobus acidocaldarius ribosomes.

    PubMed

    Yangala, Kalavathi; Suryanarayana, Tangirala

    2007-02-01

    Structural stability of thermophilic archaeon Sulfolobus acidocaldarius ribosomes, with respect their susceptibility to pancreatic RNase A and stability to temperature (deltaTm), on treatment with various stabilizing (polyamines) and destabilizing (sulfhydryl and intercalating) agents were studied and compared with mesophilic E. coli ribosomes, to understand the structural differences between thermophilic and mesophilic ribosomes. Thermophilic archaeal ribosomes and their subunits were 10-times less susceptible to pancreatic RNase A, compared to mesophilic ribosomes, showing the presence of strong and compact structural organization in them. Thermophilic ribosomes treated with destabilizing agents, such as sulfhydryl reagents [5,5'-Dithio-bis-(2-nitrobenzoic acid), N-ethylmaleimide and p-hydroxymercurybenzoate) and intercalating agents (ethidium bromide, EtBr) showed higher stability to RNase A, compared to similarly treated mesophilic ribosomes, indicating the unavailability of thiol-reactive groups and the presence of strong solvent inaccessible inner core. Higher stability of thermophilic ribosomes compared to mesophilic ribosomes to unfolding agents like urea further supported the presence of strong inner core particle. Thermophilic ribosomes treated with intercalating agents, such as EtBr were less susceptible to RNase A, though they bound to more reagent, showing the rigidity or resilience of their macromolecular structure to alterations caused by destabilizing agents. Overall, these results indicated that factors such as presence of strong solvent inaccessible inner core and rigidity of ribosome macromolecular structure contributed stability of thermophilic ribosomes to RNase A and other destabilizing agents, when compared to mesophilic ribosomes.

  7. High-resolution crystal structure reveals a HEPN domain at the C-terminal region of S. cerevisiae RNA endonuclease Swt1

    SciTech Connect

    Peng, Shuxia Zhou, Ke; Wang, Wenjia; Gao, Zengqiang; Dong, Yuhui; Liu, Quansheng

    2014-10-31

    Highlights: • Crystal structure of the C-terminal (CT) domain of Swt1 was determined at 2.3 Å. • Structure of the CT domain was identified as HEPN domain superfamily member. • Low-resolution envelope of Swt1 full-length in solution was analyzed by SAXS. • The middle and CT domains gave good fit to SAXS structural model. - Abstract: Swt1 is an RNA endonuclease that plays an important role in quality control of nuclear messenger ribonucleoprotein particles (mRNPs) in eukaryotes; however, its structural details remain to be elucidated. Here, we report the crystal structure of the C-terminal (CT) domain of Swt1 from Saccharomyces cerevisiae, which shares common characteristics of higher eukaryotes and prokaryotes nucleotide binding (HEPN) domain superfamily. To study in detail the full-length protein structure, we analyzed the low-resolution architecture of Swt1 in solution using small angle X-ray scattering (SAXS) method. Both the CT domain and middle domain exhibited a good fit upon superimposing onto the molecular envelope of Swt1. Our study provides the necessary structural information for detailed analysis of the functional role of Swt1, and its importance in the process of nuclear mRNP surveillance.

  8. Structural Studies of AAV2 Rep68 Reveal a Partially Structured Linker and Compact Domain Conformation

    PubMed Central

    Musayev, Faik N.; Zarate-Perez, Francisco; Bardelli, Martino; Bishop, Clayton; Saniev, Emil F.; Linden, R. Michael; Henckaerts, Els; Escalante, Carlos R.

    2015-01-01

    Adeno-associated virus (AAV) nonstructural proteins Rep78 and Rep68 carry out all DNA transactions that regulate the AAV life cycle. They share two multifunctional domains: an N-terminal origin binding/nicking domain (OBD) from the HUH superfamily and a SF3 helicase domain. A short linker of ~20 amino acids that is critical for oligomerization and function connects the two domains. Although X-ray structures of the AAV5 OBD and AAV2 helicase domains have been determined, information about the full-length protein and linker conformation is not known. This article presents the solution structure of AAV2 Rep68 using small-angle X-ray scattering (SAXS). We first determined the X-ray structures of the minimal AAV2 Rep68 OBD and of the OBD with the linker region. These X-ray structures reveal novel features that include a long C-terminal α-helix that protrudes from the core of the protein at a 45° angle and a partially structured linker. SAXS studies corroborate that the linker is not extended, and we show that a proline residue in the linker is critical for Rep68 oligomerization and function. SAXS-based rigid-body modeling of Rep68 confirms these observations, showing a compact arrangement of the two domains in which they acquire a conformation that positions key residues in all domains on one face of the protein, poised to interact with DNA. PMID:26314310

  9. Structural Studies of AAV2 Rep68 Reveal a Partially Structured Linker and Compact Domain Conformation.

    PubMed

    Musayev, Faik N; Zarate-Perez, Francisco; Bardelli, Martino; Bishop, Clayton; Saniev, Emil F; Linden, R Michael; Henckaerts, Els; Escalante, Carlos R

    2015-09-29

    Adeno-associated virus (AAV) nonstructural proteins Rep78 and Rep68 carry out all DNA transactions that regulate the AAV life cycle. They share two multifunctional domains: an N-terminal origin binding/nicking domain (OBD) from the HUH superfamily and a SF3 helicase domain. A short linker of ∼20 amino acids that is critical for oligomerization and function connects the two domains. Although X-ray structures of the AAV5 OBD and AAV2 helicase domains have been determined, information about the full-length protein and linker conformation is not known. This article presents the solution structure of AAV2 Rep68 using small-angle X-ray scattering (SAXS). We first determined the X-ray structures of the minimal AAV2 Rep68 OBD and of the OBD with the linker region. These X-ray structures reveal novel features that include a long C-terminal α-helix that protrudes from the core of the protein at a 45° angle and a partially structured linker. SAXS studies corroborate that the linker is not extended, and we show that a proline residue in the linker is critical for Rep68 oligomerization and function. SAXS-based rigid-body modeling of Rep68 confirms these observations, showing a compact arrangement of the two domains in which they acquire a conformation that positions key residues in all domains on one face of the protein, poised to interact with DNA.

  10. X-ray scattering data and structural genomics

    NASA Astrophysics Data System (ADS)

    Doniach, Sebastian

    2003-03-01

    High throughput structural genomics has the ambitious goal of determining the structure of all, or a very large number of protein folds using the high-resolution techniques of protein crystallography and NMR. However, the program is facing significant bottlenecks in reaching this goal, which include problems of protein expression and crystallization. In this talk, some preliminary results on how the low-resolution technique of small-angle X-ray solution scattering (SAXS) can help ameliorate some of these bottlenecks will be presented. One of the most significant bottlenecks arises from the difficulty of crystallizing integral membrane proteins, where only a handful of structures are available compared to thousands of structures for soluble proteins. By 3-dimensional reconstruction from SAXS data, the size and shape of detergent-solubilized integral membrane proteins can be characterized. This information can then be used to classify membrane proteins which constitute some 25% of all genomes. SAXS may also be used to study the dependence of interparticle interference scattering on solvent conditions so that regions of the protein solution phase diagram which favor crystallization can be elucidated. As a further application, SAXS may be used to provide physical constraints on computational methods for protein structure prediction based on primary sequence information. This in turn can help in identifying structural homologs of a given protein, which can then give clues to its function. D. Walther, F. Cohen and S. Doniach. "Reconstruction of low resolution three-dimensional density maps from one-dimensional small angle x-ray scattering data for biomolecules." J. Appl. Cryst. 33(2):350-363 (2000). Protein structure prediction constrained by solution X-ray scattering data and structural homology identification Zheng WJ, Doniach S JOURNAL OF MOLECULAR BIOLOGY , v. 316(#1) pp. 173-187 FEB 8, 2002

  11. Structural configuration study for an acoustic wave sensor

    NASA Astrophysics Data System (ADS)

    Zhang, Biaobiao

    A continuous structure has several response characteristics that make it a candidate for a sensor used to locate an acoustic source. Primary goals in developing such a sensor structure are to ensure that the response is rich enough to provide information about the impinging acoustic wave and to detect the direction of travel without being too sensitive to background noise. As such, there are several factors that must be examined with regard to sensor configuration and measurement requirements. This dissertation describes a set of studies that examine various configuration requirements for such a sensor. Some of the parameters of interest include the size, or aperture of the structure, boundary conditions, material properties, and thickness. The response of the structure to transient sinusoidal wave excitations will be examined analytically. The time-domain response of an Euler-Bernoulli beam excited by a traveling sinusoidal excitation is obtained based on modal superposition and verified by using a finite element method. Then, an approach using simple basis functions will be applied to achieve the goal of more efficient response and force identification. The moving force is identified in the time domain by extending previous inverse approaches. The Tikhonov regularization technique provides bounds to the ill-conditioned results in the identification problem. Both simulated displacement and velocity are considered for use in the inverse. To evaluate the method and examine various configurations, simulations with different numbers of sinusoidal half-cycles exciting the sensor structure are studied. Various levels of random noise are also added to the simulated displacements and velocities responses in order to study the effect of noise in moving wave load identification. Such a new approach in acoustic sensing has applications in the areas of security and disaster recovery.

  12. Directional biases in phylogenetic structure quantification: a Mediterranean case study

    PubMed Central

    Molina-Venegas, Rafael; Roquet, Cristina

    2014-01-01

    Recent years have seen an increasing effort to incorporate phylogenetic hypotheses to the study of community assembly processes. The incorporation of such evolutionary information has been eased by the emergence of specialized software for the automatic estimation of partially resolved supertrees based on published phylogenies. Despite this growing interest in the use of phylogenies in ecological research, very few studies have attempted to quantify the potential biases related to the use of partially resolved phylogenies and to branch length accuracy, and no work has examined how tree shape may affect inference of community phylogenetic metrics. In this study, using a large plant community and elevational dataset, we tested the influence of phylogenetic resolution and branch length information on the quantification of phylogenetic structure; and also explored the impact of tree shape (stemminess) on the loss of accuracy in phylogenetic structure quantification due to phylogenetic resolution. For this purpose, we used 9 sets of phylogenetic hypotheses of varying resolution and branch lengths to calculate three indices of phylogenetic structure: the mean phylogenetic distance (NRI), the mean nearest taxon distance (NTI) and phylogenetic diversity (stdPD) metrics. The NRI metric was the less sensitive to phylogenetic resolution, stdPD showed an intermediate sensitivity, and NTI was the most sensitive one; NRI was also less sensitive to branch length accuracy than NTI and stdPD, the degree of sensitivity being strongly dependent on the dating method and the sample size. Directional biases were generally towards type II errors. Interestingly, we detected that tree shape influenced the accuracy loss derived from the lack of phylogenetic resolution, particularly for NRI and stdPD. We conclude that well-resolved molecular phylogenies with accurate branch length information are needed to identify the underlying phylogenetic structure of communities, and also that

  13. Structural design feasibility study of Space Station long spacer truss

    NASA Technical Reports Server (NTRS)

    Armand, Sasan C.; Funk, Gregory P.; Dohogne, Caroline A.

    1994-01-01

    The structural design and configuration feasibility of the long spacer truss assembly that will be used as part of the Space Station Freedom is the focus of this study. The structural analysis discussed herein is derived from the transient loading events presented in the Space Transportation System Interface Control Document (STS ICD). The transient loading events are liftoff, landing, and emergency landing loads. Quasi-static loading events were neglected in this study since the magnitude of the quasi-static acceleration factors is lower than that of the transient acceleration factors. Structural analysis of the proposed configuration of the long spacer truss with four longerons indicated that negative safety margins are possible. As a result, configuration changes were proposed. The primary configuration change suggested was to increase the number of truss longerons to six. The six-longeron truss appears to be a more promising structure than the four-longeron truss because it offers a positive margin of safety and more volume in its second bay (BAY2). This additional volume can be used for resupply of some of the orbital replacement units (such as a battery box). Note that the design effort on the long spacer truss has not fully begun and that calculations and reports of the negative safety margins are, to date, based on concept only.

  14. Limitations of quantitative research in the study of structural adjustment.

    PubMed

    Lundy, P

    1996-02-01

    Sociologists and, more recently, critical medical anthropologists have been arguing for a refocusing of the analysis of health and health care towards a perspective which considers the broader global political economy. In the context of the debt crisis and IMF/World Bank-inspired structural adjustment policies, the political economy theoretical perspective is becoming even more relevant in the analysis of health underdevelopment in many 'Third World' countries. This study focuses on the direct and indirect effects of the Jamaican debt crisis and structural adjustment programmes on health care services and health standards. In this paper it is argued that there are methodological problems using quantitative data when studying the effects of structural adjustment. In addition to providing a limited account of the effects, it is argued that the basic problem is a matter of the availability and reliability of the quantitative data in many 'Third World' countries. It is argued that some of these problems could be overcome by the application of qualitative micro-level analysis. This type of methodology is important to ascertain the effects of global processes at the grass roots level and to gain insights into what those working in the health sector are experiencing and what they perceive as the effects, if any, of structural adjustment policies. This has often been missing from the impersonal accounts offered by quantitative research on the subject to date.

  15. Neutron scatter studies of chromatin structures related to function

    SciTech Connect

    Not Available

    1990-01-01

    In the Progress Report for last year (7-1-88 to 6-30-89) we proposed to complete the following experiments: (1) Structure of TFIIIA/DNA complex, (2) Effect of histone acetylation on nucleosome structure, and (3) Location of lysine rich histone H5 on the nucleosome. Our major source of neutrons is LANSCE, LANL. However, for the period of this report LANSCE has been down between cycles of operation. Continuing neutron scatter studies have been carried out at the Institute Laue Langevin, Grenoble, France, on the trimmed nucleosome core particles. X-ray scatter studies have been carried out at DESY, Hamburg on the histone octamer and trimmed octamer. X-ray scatter studies have been performed also at LANL on proposed objectives. We have continued with the following of our research program; (i) assembly of fully characterized nucleosomes; (ii) effect of histone acetylation on nucleosomes; (iii) effect of full acetylation of H3 and H4 on nucleosome DNA linking number; (iv) assembly and characterization of defined minichromosomes; (v) neutron and X-ray scatter of the histone octamer and trimmed octamer; (vi) structural studies of human sperm chromatin, histones and protamines. 5 refs.

  16. Study of Daedalus Interstellar Spacecraft Reaction Chamber and Thrust Structure

    NASA Astrophysics Data System (ADS)

    Reddy, S. K.; Benaroya, H.

    Project Daedalus was the 1978 trade study that proved the feasibility of space travel utilizing fusion-based propulsion (Inertial Confinement Fusion). This paper analyzes some of the key structural aspects of the Daedalus spacecraft, in particular, the reaction chamber and thrust structure that is integral to the Daedalus spacecraft, which supports the loads resulting from the fusion reactions. First, the reaction chamber is studied computationally in terms of static loading and vibrational characteristics utilizing the finite element method. Next, a proposed bracing system is integrated into the reaction chamber and the effects are studied. Lastly, the field coils with their supporting truss structure are added to the assembly. Concepts are introduced for actuators and course-correction mechanisms that ensure the spacecraft maintains the required trajectory to rendezvous with the target system. Present-day materials and manufacturing considerations are explored based on the assumptions made in the Daedalus study. Testing, qualification, and assembly of the spacecraft are also discussed. This paper is a summary of the first author's Master's Thesis at Rutgers University.

  17. Retrospective study on structural neuroimaging in first-episode psychosis

    PubMed Central

    Silva-dos-Santos, Amilcar; Talina, Miguel Cotrim

    2016-01-01

    Background. No consensus between guidelines exists regarding neuroimaging in first-episode psychosis. The purpose of this study is to assess anomalies found in structural neuroimaging exams (brain computed tomography (CT) and magnetic resonance imaging (MRI)) in the initial medical work-up of patients presenting first-episode psychosis. Methods. The study subjects were 32 patients aged 18–48 years (mean age: 29.6 years), consecutively admitted with first-episode psychosis diagnosis. Socio-demographic and clinical data and neuroimaging exams (CT and MRI) were retrospectively studied. Diagnostic assessments were made using the Operational Criteria Checklist +. Neuroimaging images (CT and MRI) and respective reports were analysed by an experienced consultant psychiatrist. Results. None of the patients had abnormalities in neuroimaging exams responsible for psychotic symptoms. Thirty-seven percent of patients had incidental brain findings not causally related to the psychosis (brain atrophy, arachnoid cyst, asymmetric lateral ventricles, dilated lateral ventricles, plagiocephaly and falx cerebri calcification). No further medical referral was needed for any of these patients. No significant differences regarding gender, age, diagnosis, duration of untreated psychosis, in-stay and cannabis use were found between patients who had neuroimaging abnormalities versus those without. Discussion. This study suggests that structural neuroimaging exams reveal scarce abnormalities in young patients with first-episode psychosis. Structural neuroimaging is especially useful in first-episode psychosis patients with neurological symptoms, atypical clinical picture and old age. PMID:27257547

  18. The study of virus structure and function: a personal history

    NASA Astrophysics Data System (ADS)

    Rossmann, Michael G.

    2014-09-01

    I describe my gradually evolving role as a scientist from my birth in Frankfurt (Germany) to my education in the UK, my post-doc years and my experiences as an independent investigator at Purdue University1. I discuss the significance of my post-doctoral work in Minnesota where I had my first encounter with an electronic computer and subsequently in Cambridge where I participated in the first structure determination of proteins. After six years back in England my family moved to Indiana (USA) where my home remains to this day. At Purdue University I first studied the structure of enzymes and in the process I discovered the organization and slow evolution of protein domains, each with a specific function. With this success I started what had been on my mind already for a long time, namely the structural analysis of viruses. Initially we studied plant viruses but then switched to small RNA animal viruses, discovering that some plant and animal RNA viruses have closely similar structures and therefore presumably had a common evolutionary origin. Next I became interested in somewhat larger viruses that had lipid membrane envelopes. In turn that has led to the study of very large dsDNA viruses as big as small bacteria as well as studies of bacterial viruses that require complex molecular motors for different parts of their life cycle. While developing crystallographic techniques for the study of viruses it has become progressively more apparent that electron microscopy is an important new tool that is likely to eclipse x-ray crystallography in the next decade.

  19. Performance Investigation of Proteomic Identification by HCD/CID Fragmentations in Combination with High/Low-Resolution Detectors on a Tribrid, High-Field Orbitrap Instrument

    PubMed Central

    Shen, Shichen; Sheng, Quanhu; Shyr, Yu; Qu, Jun

    2016-01-01

    The recently-introduced Orbitrap Fusion mass spectrometry permits various types of MS2 acquisition methods. To date, these different MS2 strategies and the optimal data interpretation approach for each have not been adequately evaluated. This study comprehensively investigated the four MS2 strategies: HCD-OT (higher-energy-collisional-dissociation with Orbitrap detection), HCD-IT (HCD with ion trap, IT), CID-IT (collision-induced-dissociation with IT) and CID-OT on Orbitrap Fusion. To achieve extensive comparison and identify the optimal data interpretation method for each technique, several search engines (SEQUEST and Mascot) and post-processing methods (score-based, PeptideProphet, and Percolator) were assessed for all techniques for the analysis of a human cell proteome. It was found that divergent conclusions could be made from the same dataset when different data interpretation approaches were used and therefore requiring a relatively fair comparison among techniques. Percolator was chosen for comparison of techniques because it performs the best among all search engines and MS2 strategies. For the analysis of human cell proteome using individual MS2 strategies, the highest number of identifications was achieved by HCD-OT, followed by HCD-IT and CID-IT. Based on these results, we concluded that a relatively fair platform for data interpretation is necessary to avoid divergent conclusions from the same dataset, and HCD-OT and HCD-IT may be preferable for protein/peptide identification using Orbitrap Fusion. PMID:27472422

  20. Semi Active Control of Civil Structures, Analytical and Numerical Studies

    NASA Astrophysics Data System (ADS)

    Kerboua, M.; Benguediab, M.; Megnounif, A.; Benrahou, K. H.; Kaoulala, F.

    numerical example of the parallel R-L piezoelectric vibration shunt control simulated with MATLAB® is presented. An analytical study of the resistor-inductor (R-L) passive piezoelectric vibration shunt control of a cantilever beam was undertaken. The modal and strain analyses were performed by varying the material properties and geometric configurations of the piezoelectric transducer in relation to the structure in order to maximize the mechanical strain produced in the piezoelectric transducer.

  1. Structure-Property Study of Piezoelectricity in Polyimides

    NASA Technical Reports Server (NTRS)

    Ounaies, Zoubeida; Park, Cheol; Harrison, Joycelyn S.; Smith, Joseph G.; Hinkley, Jeffrey

    1999-01-01

    High performance piezoelectric polymers are of interest to NASA as they may be useful for a variety of sensor applications. Over the past few years research on piezoelectric polymers has led to the development of promising high temperature piezoelectric responses in some novel polyimides. In this study, a series of polyimides have been studied with systematic variations in the diamine monomers that comprise the polyimide while holding the dianhydride constant. The effect of structural changes, including variations in the nature and concentration of dipolar groups, on the remanent polarization and piezoelectric coefficient is examined. Fundamental structure-piezoelectric property insight will enable the molecular design of polymers possessing distinct improvements over state-of-the-art piezoelectric polymers including enhanced polarization, polarization stability at elevated temperatures, and improved processability.

  2. Protein Structure Refinement of CASP Target Proteins Using GNEIMO Torsional Dynamics Method

    PubMed Central

    2015-01-01

    A longstanding challenge in using computational methods for protein structure prediction is the refinement of low-resolution structural models derived from comparative modeling methods into highly accurate atomistic models useful for detailed structural studies. Previously, we have developed and demonstrated the utility of the internal coordinate molecular dynamics (MD) technique, generalized Newton–Euler inverse mass operator (GNEIMO), for refinement of small proteins. Using GNEIMO, the high-frequency degrees of freedom are frozen and the protein is modeled as a collection of rigid clusters connected by torsional hinges. This physical model allows larger integration time steps and focuses the conformational search in the low frequency torsional degrees of freedom. Here, we have applied GNEIMO with temperature replica exchange to refine low-resolution protein models of 30 proteins taken from the continuous assessment of structure prediction (CASP) competition. We have shown that GNEIMO torsional MD method leads to refinement of up to 1.3 Å in the root-mean-square deviation in coordinates for 30 CASP target proteins without using any experimental data as restraints in performing the GNEIMO simulations. This is in contrast with the unconstrained all-atom Cartesian MD method performed under the same conditions, where refinement requires the use of restraints during the simulations. PMID:24397429

  3. Neutron diffraction studies of thin film multilayer structures

    SciTech Connect

    Majkrzak, C.F.

    1985-01-01

    The application of neutron diffraction methods to the study of the microscopic chemical and magnetic structures of thin film multilayers is reviewed. Multilayer diffraction phenomena are described in general and in particular for the case in which one of the materials of a bilayer is ferromagnetic and the neutron beam polarized. Recent neutron diffraction measurements performed on some interesting multilayer systems are discussed. 70 refs., 5 figs.

  4. ADVANCED SOLIDS NMR STUDIES OF COAL STRUCTURE AND CHEMISTRY

    SciTech Connect

    1997-03-01

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utilization of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. Our goals are twofold. First, we are interested in developing new methods that will enable us to measure important structural parameters in whole coals not directly accessible by other techniques. In parallel with these efforts we will apply these NMR methods in a study of the chemical differences between gas-sourcing and oil-sourcing coals. The NMR methods work will specifically focus on determination of the number and types of methylene groups, determination of the number and types of methane groups, identification of carbons adjacent to nitrogen and sites with exchangeable protons, and methods to more finely characterize the distribution of hydrogen in coals. The motivation for investigating these specific structural features of coals arises from their relevance to the chemical reactivity of coals, and their suitability for possible correlations with the oil sourcing potential of some types of coals. The coals to be studied and contrasted include oil-prone coals from Australia and Indonesia, those comprising the Argonne Premium Coal Sample bank, and other relevant samples. In this report period we have focused our work on 1 segment of the program. Our last report outlined progress in using our NMR editing methods with higher field operation where higher magic angle spinning rates are required. Significant difficulties were identified, and these have been the main subject of study during the most recent granting period.

  5. Use of exotic nuclear beams for nuclear structure studies

    SciTech Connect

    Sugimoto, K.

    1984-10-01

    Possible experiments are discussed for nuclear structure studies using, as secondary beams, projectile fragments produced by high-energy heavy-ion collisions. They are, specifically, (a) determination of nuclear sizes from measurements of the total interaction cross sections of nucleus-nucleus collisions, and (b) determination of static electromagnetic moments, ..mu..'s and Q's, of short-lived ..beta..-radioactive nuclei. 9 references.

  6. Hadron Structure Studies in Hall A at Jlab

    SciTech Connect

    Kees de Jager

    2007-10-08

    Three examples are presented from the broad program of nucleon structure research in Hall A at Jefferson Lab (JLab): a measurement of the neutron charge form factor to double the squared momentum-transfer of present data, highly accurate cross-section measurements of Deeply Virtual Compton Scattering and a program of parity-violating asymmetry studies with the 12 GeV upgrade that will provide sensitive probes of the Standard Model and its extensions.

  7. Systematic study of the structures of potassiated tertiary amino acids: salt bridge structures dominate.

    PubMed

    Drayss, Miriam K; Blunk, Dirk; Oomens, Jos; Gao, Bing; Wyttenbach, Thomas; Bowers, Michael T; Schäfer, Mathias

    2009-08-27

    The gas-phase structures of a series of potassiated tertiary amino acids have been systematically investigated using infrared multiple photon dissociation (IRMPD) spectroscopy utilizing light generated by a free electron laser, ion mobility spectrometry (IMS), and computational modeling. The examined analytes comprise a set of five linear N,N-dimethyl amino acids derived from N,N-dimethyl glycine and three cyclic N-methyl amino acids including N-methyl proline. The number of methylene groups in either the alkyl chain of the linear members or in the ring of the cyclic members of the series is gradually varied. The spectra of the cyclic potassiated molecular ions are similar and well resolved, whereas the clear signals in the respective spectra of the linear analytes increasingly overlap with longer alkyl chains. Measured IRMPD spectra are compared to spectra calculated at the B3LYP/6-311++G(2d,2p) level of theory to identify the structures present in the experimental studies. On the basis of these experiments and calculations, all potassiated molecular ions of this series adopt salt bridge structures in the gas phase, involving bidentate coordination of the potassium cation to the carboxylate moiety. The assigned salt bridge structures are predicted to be the global minima on the potential energy surfaces. IMS cross-section measurements of the potassiated systems show a monotonic increase with growing system size, suggesting that the precursor ions adopt the same type of structure and comparisons between experimental and theoretical cross sections are consistent with salt bridge structures and the IRMPD results.

  8. Synthesis, base pairing and structure studies of geranylated RNA

    PubMed Central

    Wang, Rui; Vangaveti, Sweta; Ranganathan, Srivathsan V.; Basanta-Sanchez, Maria; Haruehanroengra, Phensinee; Chen, Alan; Sheng, Jia

    2016-01-01

    Natural RNAs utilize extensive chemical modifications to diversify their structures and functions. 2-Thiouridine geranylation is a special hydrophobic tRNA modification that has been discovered very recently in several bacteria, such as Escherichia coli, Enterobacter aerogenes, Pseudomonas aeruginosa and Salmonella Typhimurium. The geranylated residues are located in the first anticodon position of tRNAs specific for lysine, glutamine and glutamic acid. This big hydrophobic terpene functional group affects the codon recognition patterns and reduces frameshifting errors during translation. We aimed to systematically study the structure, function and biosynthesis mechanism of this geranylation pathway, as well as answer the question of why nature uses such a hydrophobic modification in hydrophilic RNA systems. Recently, we have synthesized the deoxy-analog of S-geranyluridine and showed the geranylated T-G pair is much stronger than the geranylated T-A pair and other mismatched pairs in the B-form DNA duplex context, which is consistent with the observation that the geranylated tRNAGluUUC recognizes GAG more efficiently than GAA. In this manuscript we report the synthesis and base pairing specificity studies of geranylated RNA oligos. We also report extensive molecular simulation studies to explore the structural features of the geranyl group in the context of A-form RNA and its effect on codon–anticodon interaction during ribosome binding. PMID:27307604

  9. Structure and Functional Studies on Dengue-2 Virus Genome

    DTIC Science & Technology

    1986-03-01

    AD STRUCTURE AND FUNCTIONAL STUDIES ON DENGUE -2 VIRUS GENOME FINAL Report Lfl C’) Radha Krishnan Padmanabhan, Ph.D. 0) March 1, 1986 Supported by U.S...and Functional Studies on Dengue -2 Virus Genome 12. PERSONAL AUTHOR(S) Radha Krishnan Padmanabhan 13a. TYPE OF REPORT 13b. TIME COVERED 14. DATE OF...3’-end of Dengue RNA in order to facilitate cDNA synthesis by oligo d(T) priming as proposed in the original research project. 2. We also showed that

  10. Structure and Functional Studies on Dengue-2 Virus Genome

    DTIC Science & Technology

    1986-03-01

    AD_ _ _ Lfl oSTRUCTURE AND FUNCTIONAL STUDIES ON DENGUE -2 VIRUS GENOME 0Annual Report Radha Krishnan Padmanabhan, Ph.D. March 1, 1986 Supported by...Studies on Dengue -2 Virus Genome 12 PERSONAL AUTHOR(S) Radha Krishnan Padmanabhan 13a TYPE OF REPORT 1 3b TIME COVERED 14 DATE OF REPORT (Year, Month, Day...analysis of these clones totalling 06 01 14,586 nucleotides: Deduced amino acid sequences of dengue virI 19 ABSTRACT (Continue on reverse of

  11. Antimicrobial profile of some novel keto esters: Synthesis, crystal structures and structure-activity relationship studies.

    PubMed

    Khan, Imtiaz; Saeed, Aamer; Arshad, Mohammad Ifzan; White, Jonathan Michael

    2016-01-01

    Rapid increase in bacterial resistance has become a major public concern by escalating alongside a lack of development of new anti-infective drugs. Novel remedies in the battle against multidrug-resistant bacterial strains are urgently needed. So, in this context, the present work is towards the investigation of antimicrobial efficacy of some novel keto ester derivatives, which are prepared by the condensation of substituted benzoic acids with various substituted phenacyl bromides in dimethylformamide at room temperature using triethylamine as a catalyst. The structural build-up of the target compounds was accomplished by spectroscopic techniques including FTIR, (1)H and (13)C NMR spectroscopy and mass spectrometry. The purity of the synthesized compounds was ascertained by elemental analysis. The molecular structures of compounds (4b) and (4l) were established by X-ray crystallographic analysis. The prepared analogues were evaluated for their antimicrobial activity against Gram-positive (Staphylococcus aureus, Micrococcus leuteus) and Gram-negative (Pseudomonas picketti, Salmonella setuball) bacteria and two fungal pathogenic strains (Aspergillus niger, Aspergillus flavus), respectively. Among the screened derivatives, several compounds were found to possess significant activity but (4b) and (4l) turned out to be lead molecules with remarkable antimicrobial efficacy. The structure-activity relationship analysis of this study also revealed that structural modifications on the basic skeleton affected the antimicrobial activity of the synthesized compounds.

  12. Computational study on the properties and structure of methyl lactate.

    PubMed

    Aparicio, Santiago

    2007-05-31

    A theoretical study on the properties and molecular level structure of the very important green solvent methyl lactate is carried out in the gas phase and methanol and water solutions, with the solvent treated both explicitly and as a continuum. Torsional barriers giving rise to different conformers by rotation of the hydroxyl and methyl groups were analyzed using density functional theory (DFT) to establish the most stable conformer both in gas phase and solution. DFT computations on lactate dimers were also done to study short-range features, and the effect of the surrounding solvent on intra- and intermolecular hydrogen bonding was analyzed according to the polarizable continuum model approach. We have also studied lactate/water and lactate/methanol small clusters together with the corresponding binding energies. Moreover, classical molecular dynamics simulations (MD) were carried out to study medium- and large-range effects at lower computational cost. MD simulations at different pressure and temperature conditions on pure lactate were carried out, and mixtures with water and methanol of different compositions were also studied. Structural information, analyzed through the radial distribution functions, together with dynamic aspects of pure and mixed fluids were considered. The intramolecular hydrogen bonding ability of methyl lactate together with the possibility of homo- and hetero-intermolecular association determines the behavior of this molecule in pure fluids or in mixed.

  13. Structural Design Feasibility Study for the Global Climate Experiment

    SciTech Connect

    Lewin,K.F.; Nagy, J.

    2008-12-01

    Neon, Inc. is proposing to establish a Global Change Experiment (GCE) Facility to increase our understanding of how ecological systems differ in their vulnerability to changes in climate and other relevant global change drivers, as well as provide the mechanistic basis for forecasting ecological change in the future. The experimental design was initially envisioned to consist of two complementary components; (A) a multi-factor experiment manipulating CO{sub 2}, temperature and water availability and (B) a water balance experiment. As the design analysis and cost estimates progressed, it became clear that (1) the technical difficulties of obtaining tight temperature control and maintaining elevated atmospheric carbon dioxide levels within an enclosure were greater than had been expected and (2) the envisioned study would not fit into the expected budget envelope if this was done in a partially or completely enclosed structure. After discussions between NEON management, the GCE science team, and Keith Lewin, NEON, Inc. requested Keith Lewin to expand the scope of this design study to include open-field exposure systems. In order to develop the GCE design to the point where it can be presented within a proposal for funding, a feasibility study of climate manipulation structures must be conducted to determine design approaches and rough cost estimates, and to identify advantages and disadvantages of these approaches including the associated experimental artifacts. NEON, Inc requested this design study in order to develop concepts for the climate manipulation structures to support the NEON Global Climate Experiment. This study summarizes the design concepts considered for constructing and operating the GCE Facility and their associated construction, maintenance and operations costs. Comparisons and comments about experimental artifacts, construction challenges and operational uncertainties are provided to assist in selecting the final facility design. The overall goal

  14. Analysis of the IRAS Low Resolution Spectra

    DTIC Science & Technology

    1988-04-01

    which were previously not known. 1. RESEARCH The Infrared Astronomical Satellite , IRAS, surveyed the sky in four wavelength bands centered on 12, 25, 60...agree at 12 Am unless a linear baseline is subtracted from the usable portion of the spectrum. The IRAS science team characterized the LRS spectra...that have silicate dust grain emission features extending from about 8 -14 Am with a maximum around 10 Am are characterized as 2n where n= I to 9

  15. Emulation to simulate low resolution atmospheric data

    SciTech Connect

    Hebbur Venkata Subba Rao, Vishwas; Archibald, Richard K; Evans, Katherine J

    2012-08-01

    Climate simulations require significant compute power, they are complex and therefore it is time consuming to simulate them. We have developed an emulator to simulate unknown climate datasets. The emulator uses stochastic collocation and multi-dimensional in- terpolation to simulate the datasets. We have used the emulator to determine various physical quantities such as temperature, short and long wave cloud forcing, zonal winds etc. The emulation gives results which are very close to those obtained by simulations. The emulator was tested on 2 degree atmospheric datasets. The work evaluates the pros and cons of evaluating the mean first and inter- polating and vice versa. To determine the physical quantities, we have assumed them to be a function of time, longitude, latitude and a random parameter. We have looked at parameters that govern high stable clouds, low stable clouds, timescale for convection etc. The emulator is especially useful as it requires negligible compute times when compared to the simulation itself.

  16. Nuclear and bound nucleon structure studies using GlueX

    NASA Astrophysics Data System (ADS)

    Patsyuk, Maria; Hen, Or; Williams, Mike

    2016-09-01

    We propose extending the physics program of the GlueX detector at Jefferson Lab to study structure of bound nucleon and short range correlations (SRC) in nuclei. Many important properties of nuclear systems are significantly influenced by the existence of SRC-pairs, which are high- momentum nucleons in a nucleus with considerably overlapping wave functions. Using the new JLab high-energy high-intensity photon beam, we will study exclusive meson photo-production on the nucleon in nuclei from Deuterium to Lead. We will compare the branching ratio of these reactions on semi-free nucleons in deuterium, deeply bound nucleons in heavier nuclei, and nucleons belonging to SRC pairs (by tagging the spectator recoil nucleon in the GlueX Barrel Calorimeter) in order to learn about short range structure of nuclei and the possible modification of the internal structure of bound nucleons. In this talk, we will present a brief summary of the physics goals and a data-driven determination of the neutron-detection efficiency using the so-called tag and probe technique.

  17. Neutron structure and mechanistic studies of diisopropyl fluorophosphatase (DFPase)

    SciTech Connect

    Chen, Julian C.-H.; Mustyakimov, Marat; Schoenborn, Benno P.; Langan, Paul; Blum, Marc-Michael

    2010-11-01

    The structure and mechanism of diisopropyl fluorophosphatase (DFPase) have been studied using a variety of methods, including isotopic labelling, X-ray crystallography and neutron crystallography. The neutron structure of DFPase, mechanistic studies and subsequent rational design efforts are described. Diisopropyl fluorophosphatase (DFPase) is a calcium-dependent phosphotriesterase that acts on a variety of highly toxic organophosphorus compounds that act as inhibitors of acetylcholinesterase. The mechanism of DFPase has been probed using a variety of methods, including isotopic labelling, which demonstrated the presence of a phosphoenzyme intermediate in the reaction mechanism. In order to further elucidate the mechanism of DFPase and to ascertain the protonation states of the residues and solvent molecules in the active site, the neutron structure of DFPase was solved at 2.2 Å resolution. The proposed nucleophile Asp229 is deprotonated, while the active-site solvent molecule W33 was identified as water and not hydroxide. These data support a mechanism involving direct nucleophilic attack by Asp229 on the substrate and rule out a mechanism involving metal-assisted water activation. These data also allowed for the re-engineering of DFPase through rational design to bind and productively orient the more toxic S{sub P} stereoisomers of the nerve agents sarin and cyclosarin, creating a modified enzyme with enhanced overall activity and significantly increased detoxification properties.

  18. Health monitoring studies on composite structures for aerospace applications

    SciTech Connect

    James, G.; Roach, D.; Hansche, B.; Meza, R.; Robinson, N.

    1996-02-01

    This paper discusses ongoing work to develop structural health monitoring techniques for composite aerospace structures such as aircraft control surfaces, fuselage sections or repairs, and reusable launch vehicle fuel tanks. The overall project is divided into four tasks: Operational evaluation, diagnostic measurements, information condensation, and damage detection. Five composite plates were constructed to study delaminations, disbonds, and fluid retention issues as the initial step in creating an operational system. These four square feet plates were graphite-epoxy with nomex honeycomb cores. The diagnostic measurements are composed of modal tests with a scanning laser vibrometer at over 500 scan points per plate covering the frequency range up to 2000 Hz. This data has been reduced into experimental dynamics matrices using a generic, software package developed at the University of Colorado at Boulder. The continuing effort will entail performing a series of damage identification studies to detect, localize, and determine the extent of the damage. This work is providing understanding and algorithm development for a global NDE technique for composite aerospace structures.

  19. Scanning Tunneling Microscopy Studies of Oxide Surface Structure

    NASA Astrophysics Data System (ADS)

    Novak, David S.

    The structural properties of several oxide and metal/oxide systems have been investigated using scanning tunneling microscopy (STM). Oxide materials find wide use in many very important technological applications, and many of these applications depend on nanometer scale structure of the material. STM provides a unique tool for probing the properties of materials in real-space on the atomic ({~}1A) and nanometer distance scales. Oxides are also scientifically interesting for the wide range of physical properties that they exhibit. In these investigations we have studied the surface structure of the metallic oxide Rb _{0.3}MoO_3, the wide band gap semiconductor TiO_2(110), and metal thin films of copper on TiO_2 (110). Much of this research was performed with a UHV STM system which was built in-house at Rutgers. The design and construction of this UHV STM system, including the STM scanners and control electronics, is described in this dissertation. We have prepared nearly perfect TiO_2 (110) (1 x 1) surfaces which are observed with STM to be atomically flat over large areas. The atomic scale structure of the (1 x 1) surface has been successfully imaged with the STM, and the periodicity found in the images is consistent with the bulk truncated (charge neutral) model for the TiO_2(110) (1 x 1) surface. A discussion is given as to whether the STM is imaging the bridging oxygen atom rows (geometric structure dominating) or the five-fold coordinated titanium site (electronic structure dominating). Under certain preparation conditions, a line defect structure is observed on this surface. The defect structure consists of a rowlike feature of approximately 2 A height oriented along the (001). It is believed that these defect rows are the initial steps in the formation of the "high temperature" (1 x 2) phase which has been observed by several groups. A comparison is made between the experimental data and the various models that have been proposed for the defect rows and the

  20. Study of the structuring of pure molecular liquids

    NASA Astrophysics Data System (ADS)

    Letamendia, L.; Duplessix, R.; Nouchi, G.; Vaucamps, C.

    Recent experiments have shown that changes in the slope of specific heat variation as a function of temperature in liquids are not always regular. In this study, the authors consider the possibility that fluid structure can change with temperature, by shifting from one form to another. They study such molecular liquids as benzene, hexafluorobenzene, and quinoleine using Rayleigh-Brillouin and depolarized Rayleigh diffusion, and total intensity diffusion. The authors clearly found anomalies for all collective properties of the medium in the liquids studied, though purely molecular properties were undisturbed. The accidents observed occurred at the same temperatures, whatever the collective or intermolecular property under study. But it took some time (several hours) for them to manifest themselves, which suggests that molecular liquids are characterized by a long thermodynamic equilibrium. Results also show a disturbance in hydrodynamic state at accident temperatures, which are similar to those generated by long spatial correlation processes.

  1. NMR Structural Studies of Antimicrobial Peptides: LPcin Analogs

    PubMed Central

    Jeong, Ji-Ho; Kim, Ji-Sun; Choi, Sung-Sub; Kim, Yongae

    2016-01-01

    Lactophoricin (LPcin), a component of proteose peptone (113–135) isolated from bovine milk, is a cationic amphipathic antimicrobial peptide consisting of 23 amino acids. We designed a series of N- or C-terminal truncated variants, mutated analogs, and truncated mutated analogs using peptide-engineering techniques. Then, we selected three LPcin analogs of LPcin-C8 (LPcin-YK1), LPcin-T2WT6W (LPcin-YK2), and LPcin-T2WT6W-C8 (LPcin-YK3), which may have better antimicrobial activities than LPcin, and successfully expressed them in E. coli with high yield. We elucidated the 3D structures and topologies of the three LPcin analogs in membrane environments by conducting NMR structural studies. We investigated the purity of the LPcin analogs and the α-helical secondary structures by performing 1H-15N 2D HSQC and HMQC-NOESY liquid-state NMR spectroscopy using protein-containing micelle samples. We measured the 3D structures and tilt angles in membranes by conducting 15N 1D and 2D 1H-15N SAMMY type solid-state NMR spectroscopy with an 800 MHz in-house-built 1H-15N double-resonance solid-state NMR probe with a strip-shield coil, using protein-containing large bicelle samples aligned and confirmed by molecular-dynamics simulations. The three LPcin analogs were found to be curved α-helical structures, with tilt angles of 55–75° for normal membrane bilayers, and their enhanced activities may be correlated with these topologies. PMID:26789765

  2. Supersonic cruise research aircraft structural studies: Methods and results

    NASA Technical Reports Server (NTRS)

    Sobieszczanski-Sobieski, J.; Gross, D.; Kurtze, W.; Newsom, J.; Wrenn, G.; Greene, W.

    1981-01-01

    NASA Langley Research Center SCAR in-house structural studies are reviewed. In methods development, advances include a new system of integrated computer programs called ISSYS, progress in determining aerodynamic loads and aerodynamically induced structural loads (including those due to gusts), flutter optimization for composite and metal airframe configurations using refined and simplified mathematical models, and synthesis of active controls. Results given address several aspects of various SCR configurations. These results include flutter penalties on composite wing, flutter suppression using active controls, roll control effectiveness, wing tip ground clearance, tail size effect on flutter, engine weight and mass distribution influence on flutter, and strength and flutter optimization of new configurations. The ISSYS system of integrated programs performed well in all the applications illustrated by the results, the diversity of which attests to ISSYS' versatility.

  3. Super-resolution optical microscopy study of telomere structure

    NASA Astrophysics Data System (ADS)

    Phipps, Mary Lisa; Goodwin, Peter M.; Martinez, Jennifer S.; Goodwin, Edwin H.

    2016-09-01

    Chromosome ends are shielded from exonucleolytic attack and inappropriate end-joining by terminal structures called telomeres; these structures are potential targets for anticancer drugs. Telomeres are composed of a simple DNA sequence (5‧-TTAGGG-3‧ in humans) repeated more than a thousand times, a short 3‧ single-stranded overhang, and numerous proteins. Electron microscopy has shown that the 3‧ overhang pairs with the complementary strand at an internal site creating a small displacement loop and a large double-stranded "t-loop." Our goal is to determine whether all telomeres adopt the t-loop configuration, or whether there are two or more distinct configurations. Progress in optimizing super-resolution (SR) microscopy for this ongoing investigation is reported here. Results suggest that under certain conditions sample preparation procedures may disrupt chromatin by causing loss of nucleosomes. This finding may limit the use of SR microscopy in telomere studies.

  4. Syntheses and structural studies of coordination polymers with microporous frameworks

    NASA Astrophysics Data System (ADS)

    Niu, Tianyan

    The purpose of this work is to synthesize microporous solids using coordination chemistry. The syntheses were carried by diffusion method. Starting reagents, solvent, concentration, reaction speed and time, and temperature were the variables used to optimize the syntheses. The resulting products were characterized by single crystal X-ray diffraction to determine their structures. X-ray powder diffraction, TGA, IR, elemental analysis, and electron microprobe were used to provide complementary or supporting information. Exploratory studies were carried out mainly on organotin-cyanometalate compounds [(RmSnIV)x{M(CN)n} y]. The compounds are made up of SnRm cations and M(CN) n anions. The structures adopted are determined by the number and size of the organic ligands attached to the Sn atoms and by the cyanometalate M(CN) n moiety. Several new compounds in this class were synthesized and structurally characterized. They are [(Bu3Sn)3M(CN)6] (M = Fe, Co), [(R2Sn)3{CO(CN)6}2·X] (R = vinyl, butyl, and propyl), and [(Ph3Sn)2Ni(CN) 4 Ph3SnOH·˜0.8CH3CN·˜0.2H 2O]. The compound [(Ph3Sn)2Ni(CN)4·Ph 3SnOH·˜0.8CH3CN·˜0.2H2O] is to our knowledge, the first three dimensional cyanometalate coordination polymer with expanded inorganic NbO structure. The framework is not interpenetrated and the large central cavity in the structure is filled by inclusion of Ph 3SnOH and other solvent molecules during synthesis. In addition to the investigation of organotin-cyanometalate compounds, other approaches to microporous solids were also studied. A new compound [Co(H 2O)2Ni(CN)4·4H2O] in the Hofmann's clathrate family was obtained. Five one dimensional polymers synthesized by the reaction of dirhodium(II) tetraacetate with 1,4-dicyanobenzene in different solvent systems were also synthesized, and the effect of solvent on the resulting structures was investigated.

  5. Structural basis of AMPK regulation by adenine nucleotides and glycogen

    SciTech Connect

    Li, Xiaodan; Wang, Lili; Zhou, X. Edward; Ke, Jiyuan; de Waal, Parker W.; Gu, Xin; Tan, M. H. Eileen; Wang, Dongye; Wu, Donghai; Xu, H. Eric; Melcher, Karsten

    2014-11-21

    AMP-activated protein kinase (AMPK) is a central cellular energy sensor and regulator of energy homeostasis, and a promising drug target for the treatment of diabetes, obesity, and cancer. Here we present low-resolution crystal structures of the human α1β2γ1 holo-AMPK complex bound to its allosteric modulators AMP and the glycogen-mimic cyclodextrin, both in the phosphorylated (4.05 Å) and non-phosphorylated (4.60 Å) state. In addition, we have solved a 2.95 Å structure of the human kinase domain (KD) bound to the adjacent autoinhibitory domain (AID) and have performed extensive biochemical and mutational studies. Altogether, these studies illustrate an underlying mechanism of allosteric AMPK modulation by AMP and glycogen, whose binding changes the equilibria between alternate AID (AMP) and carbohydrate-binding module (glycogen) interactions.

  6. Structural basis of AMPK regulation by adenine nucleotides and glycogen

    DOE PAGES

    Li, Xiaodan; Wang, Lili; Zhou, X. Edward; ...

    2014-11-21

    AMP-activated protein kinase (AMPK) is a central cellular energy sensor and regulator of energy homeostasis, and a promising drug target for the treatment of diabetes, obesity, and cancer. Here we present low-resolution crystal structures of the human α1β2γ1 holo-AMPK complex bound to its allosteric modulators AMP and the glycogen-mimic cyclodextrin, both in the phosphorylated (4.05 Å) and non-phosphorylated (4.60 Å) state. In addition, we have solved a 2.95 Å structure of the human kinase domain (KD) bound to the adjacent autoinhibitory domain (AID) and have performed extensive biochemical and mutational studies. Altogether, these studies illustrate an underlying mechanism of allostericmore » AMPK modulation by AMP and glycogen, whose binding changes the equilibria between alternate AID (AMP) and carbohydrate-binding module (glycogen) interactions.« less

  7. Structural studies of P-type ATPase–ligand complexes using an X-ray free-electron laser

    DOE PAGES

    Bublitz, Maike; Nass, Karol; Drachmann, Nikolaj D.; ...

    2015-06-11

    Membrane proteins are key players in biological systems, mediating signalling events and the specific transport ofe.g.ions and metabolites. Consequently, membrane proteins are targeted by a large number of currently approved drugs. Understanding their functions and molecular mechanisms is greatly dependent on structural information, not least on complexes with functionally or medically important ligands. Structure determination, however, is hampered by the difficulty of obtaining well diffracting, macroscopic crystals. Here, the feasibility of X-ray free-electron-laser-based serial femtosecond crystallography (SFX) for the structure determination of membrane protein–ligand complexes using microcrystals of various native-source and recombinant P-type ATPase complexes is demonstrated. The data revealmore » the binding sites of a variety of ligands, including lipids and inhibitors such as the hallmark P-type ATPase inhibitor orthovanadate. By analyzing the resolution dependence of ligand densities and overall model qualities, SFX data quality metrics as well as suitable refinement procedures are discussed. Even at relatively low resolution and multiplicity, the identification of ligands can be demonstrated. This makes SFX a useful tool for ligand screening and thus for unravelling the molecular mechanisms of biologically active proteins.« less

  8. Structural studies of P-type ATPase–ligand complexes using an X-ray free-electron laser

    SciTech Connect

    Bublitz, Maike; Nass, Karol; Drachmann, Nikolaj D.; Markvardsen, Anders J.; Gutmann, Matthias J.; Barends, Thomas R. M.; Mattle, Daniel; Shoeman, Robert L.; Doak, R. Bruce; Boutet, Sébastien; Messerschmidt, Marc; Seibert, Marvin M.; Williams, Garth J.; Foucar, Lutz; Reinhard, Linda; Sitsel, Oleg; Gregersen, Jonas L.; Clausen, Johannes D.; Boesen, Thomas; Gotfryd, Kamil; Wang, Kai -Tuo; Olesen, Claus; Møller, Jesper V.; Nissen, Poul; Schlichting, Ilme

    2015-06-11

    Membrane proteins are key players in biological systems, mediating signalling events and the specific transport ofe.g.ions and metabolites. Consequently, membrane proteins are targeted by a large number of currently approved drugs. Understanding their functions and molecular mechanisms is greatly dependent on structural information, not least on complexes with functionally or medically important ligands. Structure determination, however, is hampered by the difficulty of obtaining well diffracting, macroscopic crystals. Here, the feasibility of X-ray free-electron-laser-based serial femtosecond crystallography (SFX) for the structure determination of membrane protein–ligand complexes using microcrystals of various native-source and recombinant P-type ATPase complexes is demonstrated. The data reveal the binding sites of a variety of ligands, including lipids and inhibitors such as the hallmark P-type ATPase inhibitor orthovanadate. By analyzing the resolution dependence of ligand densities and overall model qualities, SFX data quality metrics as well as suitable refinement procedures are discussed. Even at relatively low resolution and multiplicity, the identification of ligands can be demonstrated. This makes SFX a useful tool for ligand screening and thus for unravelling the molecular mechanisms of biologically active proteins.

  9. Structural studies of P-type ATPase–ligand complexes using an X-ray free-electron laser

    PubMed Central

    Bublitz, Maike; Nass, Karol; Drachmann, Nikolaj D.; Markvardsen, Anders J.; Gutmann, Matthias J.; Barends, Thomas R. M.; Mattle, Daniel; Shoeman, Robert L.; Doak, R. Bruce; Boutet, Sébastien; Messerschmidt, Marc; Seibert, Marvin M.; Williams, Garth J.; Foucar, Lutz; Reinhard, Linda; Sitsel, Oleg; Gregersen, Jonas L.; Clausen, Johannes D.; Boesen, Thomas; Gotfryd, Kamil; Wang, Kai-Tuo; Olesen, Claus; Møller, Jesper V.; Nissen, Poul; Schlichting, Ilme

    2015-01-01

    Membrane proteins are key players in biological systems, mediating signalling events and the specific transport of e.g. ions and metabolites. Consequently, membrane proteins are targeted by a large number of currently approved drugs. Understanding their functions and molecular mechanisms is greatly dependent on structural information, not least on complexes with functionally or medically important ligands. Structure determination, however, is hampered by the difficulty of obtaining well diffracting, macroscopic crystals. Here, the feasibility of X-ray free-electron-laser-based serial femtosecond crystallography (SFX) for the structure determination of membrane protein–ligand complexes using microcrystals of various native-source and recombinant P-type ATPase complexes is demonstrated. The data reveal the binding sites of a variety of ligands, including lipids and inhibitors such as the hallmark P-type ATPase inhibitor orthovanadate. By analyzing the resolution dependence of ligand densities and overall model qualities, SFX data quality metrics as well as suitable refinement procedures are discussed. Even at relatively low resolution and multiplicity, the identification of ligands can be demonstrated. This makes SFX a useful tool for ligand screening and thus for unravelling the molecular mechanisms of biologically active proteins. PMID:26175901

  10. Using proteinase K to study the structure of prions.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Background/Introduction. The secondary structure of prions is composed almost entirely of '-sheet secondary structure. Structural constraints suggest that the '-sheet secondary structure is arranged in a '-solenoid. The '-sheet secondary structure is thought to be responsible for the remarkable ...

  11. Fabrication and optical studies of semiconductor quantum well structures

    NASA Astrophysics Data System (ADS)

    Chang, Huicheng

    In an effort to investigate modulation doping and 2-dimensional electron gas in wide gap semiconductors and diluted magnetic semiconductors, we carried out systematic studies of n-type modulation doped ZnSe/Zn0.86Cd0.14Se and ZnSe/Zn0.825Cd 0.14Mn0.035Se single quantum well structures. The roles of spacers between doped barriers and undoped wells, as well as doping levels with regard to screening of excitons, were investigated. Low temperature photoluminescence studies were performed under magnetic fields up to 30 tesla. In the presence of a magnetic field, distinct features evolved from the broad luminescence band. These are attributed to interband transitions between electrons occupying Landau levels to photoexcited holes. An analysis of the Landau-level occupation as a function of magnetic field yields the electron sheet density. Modulation doping was also studied in the context of lasing characteristics, such as doping the barriers in the active region of ZnSe/ZnCdSe quantum well laser structures. With the aid of n-type modulation doping, the optical gain (∝ (fc - fv)) enhanced by the modifications of the Fermi-Dirac distribution functions for electrons and holes in the conduction and valence bands. Resulting threshold conditions were obtained to be 1/2 ˜ 1/3 of those without modulation doping in the active regions. The biexcitonic stimulated emission, ˜10 meV below the main excitonic emission, was also observed in undoped samples, but not in the modulation doped structures due to the instability of excitons caused by the two dimensional electron gas in the well. We also studied the lasing modes in broad-area, equilateral triangular laser cavities, which take advantage of total internal reflection at the cleaved facets of the cavity for circulating modes. A new approach is proposed to study optical modes in equilateral triangular cavities in an analytical form. The modes were obtained by examining the simplest optical paths inside the cavity, which yields

  12. Nuclear structure studies with medium energy probes. [Northwestern Univ

    SciTech Connect

    Seth, Kamal K.

    1980-01-01

    Progress in the continuing program of experimental research in nuclear structure with medium-energy probes during the year 1979-1980 is reviewed, and the research activities planned for the year 1980-1981 are discussed. In the study of pion-induced reactions emphasis is placed on investigation of isovector characteristics of nuclear excitations and on double charge exchange reactions. Pion production studies form the major part of the program of experiments with proton beams of 400 to 800 MeV at LAMPF. Current emphasis is on the bearing of these investigations on di-baryon existence. The study of high-spin states and magnetic scattering constitute the main goals of the electron scattering program at Bates. Representative results are presented; completed work is reported in the usual publications. (RWR)

  13. Neutron scatter studies of chromatin structures related to functions

    SciTech Connect

    Bradbury, E.M.

    1992-01-01

    We have made considerable progress in chromatin reconstitution with very lysine rich histone H1/H5 and in understanding the dynamics of nucleosomes. A ferromagnetic fluid was developed to align biological molecules for structural studies using small-angle-neutron-scattering. We have also identified and characterized in intrinsically bent DNA region flaking the RNA polymerase I binding site of the ribosomal RNA gene in Physarum Polycephalum. Finally projects in progress are in the areas of studying the interactions of histone H4 amino-terminus peptide 1-23 and acetylated 1-23 peptide with DNA using thermal denaturation; study of GGAAT repeats found in human centromeres using high resolution Nuclear Magnetic Resonance and nuclease sentivity assay; and the role of histones and other sperm specific proteins with sperm chromatin.

  14. Neutron scatter studies of chromatin structures related to functions

    SciTech Connect

    Bradbury, E.M.

    1992-01-01

    Despite of setbacks in the lack of neutrons for the proposed We have made considerable progress in chromatin reconstitution with the VLR histone H1/H5 and in understanding the dynamics of nucleosomes. A ferromagnetic fluid was developed to align biological molecules for structural studies using small-angle-neutron-scattering. We have also identified and characterized an intrinsically bent DNA region flanking the RNA polymerase I binding site of the ribosomal RNA gene in Physarum Polycephalum. Finally projects in progress are in the areas of studying the interatctions of histone H4 amino-terminus peptide 1-23 and acetylated 1-23 peptide with DNA using thermal denaturation; study of GGAAT repeats found in human centromeres using high resolution Nuclear magnetic Resonance and nuclease sentivity assay; and the role of histones and other sperm specific proteins with sperm chromatin.

  15. Geologic structure in California: Three studies with ERTS-1 imagery

    NASA Technical Reports Server (NTRS)

    Lowman, P. D., Jr.

    1974-01-01

    Results are presented of three early applications of imagery from the NASA Earth Resources Technology Satellite to geologic studies in California. In the Coast Ranges near Monterey Bay, numerous linear drainage features possibly indicating unmapped fracture zones were mapped within one week after launch of the satellite. A similar study of the Sierra Nevada near Lake Tahoe revealed many drainage features probably formed along unmapped joint or faults in granitic rocks. The third study, in the Peninsular Ranges, confirmed existence of several major faults not shown on published maps. One of these, in the Sawtooth Range, crosses in Elsinore fault without lateral offset; associated Mid-Cretaceous structures have also been traced continuously across the fault without offset. It therefore appears that displacement along the Elsinore fault has been primarily of a dip-slip nature, at least in this area, despite evidence for lateral displacement elsewhere.

  16. Structural and optical studies on selected web spinning spider silks

    NASA Astrophysics Data System (ADS)

    Karthikeyani, R.; Divya, A.; Mathavan, T.; Asath, R. Mohamed; Benial, A. Milton Franklin; Muthuchelian, K.

    2017-01-01

    This study investigates the structural and optical properties in the cribellate silk of the sheet web spider Stegodyphus sarasinorum Karsch (Eresidae) and the combined dragline, viscid silk of the orb-web spiders Argiope pulchella Thorell (Araneidae) and Nephila pilipes Fabricius (Nephilidae). X-ray diffraction (XRD), Fourier transform infra-red (FTIR), Ultraviolet-visible (UV-Vis) and fluorescence spectroscopic techniques were used to study these three spider silk species. X-ray diffraction data are consistent with the amorphous polymer network which is arising from the interaction of larger side chain amino acid contributions due to the poly-glycine rich sequences known to be present in the proteins of cribellate silk. The same amorphous polymer networks have been determined from the combined dragline and viscid silk of orb-web spiders. From FTIR spectra the results demonstrate that, cribellate silk of Stegodyphus sarasinorum, combined dragline viscid silk of Argiope pulchella and Nephila pilipes spider silks are showing protein peaks in the amide I, II and III regions. Further they proved that the functional groups present in the protein moieties are attributed to α-helical and side chain amino acid contributions. The optical properties of the obtained spider silks such as extinction coefficients, refractive index, real and imaginary dielectric constants and optical conductance were studied extensively from UV-Vis analysis. The important fluorescent amino acid tyrosine is present in the protein folding was investigated by using fluorescence spectroscopy. This research would explore the protein moieties present in the spider silks which were found to be associated with α-helix and side chain amino acid contributions than with β-sheet secondary structure and also the optical relationship between the three different spider silks are investigated. Successful spectroscopic knowledge of the internal protein structure and optical properties of the spider silks could

  17. Structural and optical studies on selected web spinning spider silks.

    PubMed

    Karthikeyani, R; Divya, A; Mathavan, T; Asath, R Mohamed; Benial, A Milton Franklin; Muthuchelian, K

    2017-01-05

    This study investigates the structural and optical properties in the cribellate silk of the sheet web spider Stegodyphus sarasinorum Karsch (Eresidae) and the combined dragline, viscid silk of the orb-web spiders Argiope pulchella Thorell (Araneidae) and Nephila pilipes Fabricius (Nephilidae). X-ray diffraction (XRD), Fourier transform infra-red (FTIR), Ultraviolet-visible (UV-Vis) and fluorescence spectroscopic techniques were used to study these three spider silk species. X-ray diffraction data are consistent with the amorphous polymer network which is arising from the interaction of larger side chain amino acid contributions due to the poly-glycine rich sequences known to be present in the proteins of cribellate silk. The same amorphous polymer networks have been determined from the combined dragline and viscid silk of orb-web spiders. From FTIR spectra the results demonstrate that, cribellate silk of Stegodyphus sarasinorum, combined dragline viscid silk of Argiope pulchella and Nephila pilipes spider silks are showing protein peaks in the amide I, II and III regions. Further they proved that the functional groups present in the protein moieties are attributed to α-helical and side chain amino acid contributions. The optical properties of the obtained spider silks such as extinction coefficients, refractive index, real and imaginary dielectric constants and optical conductance were studied extensively from UV-Vis analysis. The important fluorescent amino acid tyrosine is present in the protein folding was investigated by using fluorescence spectroscopy. This research would explore the protein moieties present in the spider silks which were found to be associated with α-helix and side chain amino acid contributions than with β-sheet secondary structure and also the optical relationship between the three different spider silks are investigated. Successful spectroscopic knowledge of the internal protein structure and optical properties of the spider silks could

  18. Micromechanical-biochemical studies of mitotic chromosome elasticity and structure

    NASA Astrophysics Data System (ADS)

    Poirier, Michael Guy

    The structure of mitotic chromosomes was studied by combining micromechanical force measurements with microfluidic biochemical exposures. Our method is to use glass micropipettes attached to either end of a single chromosome to do mechanical experiments in the extracellular buffer. A third pipette can be used to locally 'spray' reactants so as to carry out dynamical mechanical-chemical experiments. The following elastic properties of mitotic chromosomes are found: Young's modulus, Y = 300 Pa; Poisson ratio, sigma = 0.1; Bending rigidity, B = 1 x 10 -22 J·m; Internal viscosity, eta' = 100 kg/m·sec; Volume fraction, ϕ = 0.7; Extensions of less than 3 times the relaxed length are linear and reversible; Extensions beyond 30 fold exhibit a force plateau at 15 nN and convert the chromosome to a disperse ghost-like state with little change in chromatin structure; Mitotic chromosomes are relatively isotropic; dsDNA cuts of at least every 3 kb cause the a mitotic chromosomes to fall apart; dsDNA cuts less frequently than every 50 kb do not affect mitotic chromosome structure. These results lead to the conclusion that mitotic chromosomes are a network crosslinked every 50 kb between which chromatin is fold by chromatin folding proteins, which are likely to be condensins.

  19. Structural Studies of Complex Carbohydrates of Plant Cell Walls

    SciTech Connect

    Darvill, Alan; Hahn, Michael G.; O'Neill, Malcolm A.; York, William S.

    2015-02-17

    Most of the solar energy captured by land plants is converted into the polysaccharides (cellulose, hemicellulose, and pectin) that are the predominant components of the cell wall. These walls, which account for the bulk of plant biomass, have numerous roles in the growth and development of plants. Moreover, these walls have a major impact on human life as they are a renewable source of biomass, a source of diverse commercially useful polymers, a major component of wood, and a source of nutrition for humans and livestock. Thus, understanding the molecular mechanisms that lead to wall assembly and how cell walls and their component polysaccharides contribute to plant growth and development is essential to improve and extend the productivity and value of plant materials. The proposed research will develop and apply advanced analytical and immunological techniques to study specific changes in the structures and interactions of the hemicellulosic and pectic polysaccharides that occur during differentiation and in response to genetic modification and chemical treatments that affect wall biosynthesis. These new techniques will make it possible to accurately characterize minute amounts of cell wall polysaccharides so that subtle changes in structure that occur in individual cell types can be identified and correlated to the physiological or developmental state of the plant. Successful implementation of this research will reveal fundamental relationships between polysaccharide structure, cell wall architecture, and cell wall functions.

  20. Studies of the magnetic structure at the ferromagnet - antiferromagnet interface

    SciTech Connect

    Scholl, A.; Nolting, F.; Stohr, J.; Luning, J.; Seo, J.W.; Locquet, J.-P.; Anders, S.; Ohldag, H.; Padmore, H.A.

    2001-01-02

    Antiferromagnetic layers are a scientifically challenging component in magneto-electronic devices such as magnetic sensors in hard disk heads, or magnetic RAM elements. In this paper we show that photo-electron emission microscopy (PEEM) is capable of determining the magnetic structure at the interface of ferromagnets and antiferromagnets with high spatial resolution (down to 20 nm). Dichroism effects at the L edges of the magnetic 3d transition metals, using circularly or linearly polarized soft x-rays from a synchrotron source, give rise to a magnetic image contrast. Images, acquired with the PEEM2 experiment at the Advanced Light Source, show magnetic contrast for antiferromagnetic LaFeO{sub 3}, microscopically resolving the magnetic domain structure in an antiferromagnetically ordered thin film for the first time. Magnetic coupling between LaFeO{sub 3} and an adjacent Co layer results in a complete correlation of their magnetic domain structures. From field dependent measurements a unidirectional anisotropy resulting in a local exchange bias of up to 30 Oe in single domains could be deduced. The elemental specificity and the quantitative magnetic sensitivity render PEEM a perfect tool to study magnetic coupling effects in multi-layered thin film samples.

  1. Multiple sclerosis, cannabis, and cognition: A structural MRI study

    PubMed Central

    Romero, Kristoffer; Pavisian, Bennis; Staines, William R.; Feinstein, Anthony

    2015-01-01

    Objective A subset of patients with multiple sclerosis (MS) smoke cannabis to relieve symptoms including spasticity and pain. Recent evidence suggests that smoking cannabis further impairs cognition in people with MS and is linked to impaired functional brain changes. No such association, however, has been reported between cannabis use and structural brain changes, hence the focus of the present study. Methods Twenty patients with MS who smoke cannabis for symptom relief, and 19 matched non-cannabis-smoking MS patients were given the Brief Repeatable Neuropsychological Battery and structural MRI scans. Images were segmented into gray matter and white matter, and subsequently analysed with Partial Least Squares, a data-driven multivariate technique that explores brain–behaviour associations. Results In both groups, the Partial Least Squares analysis yielded significant correlations between cognitive scores and both gray matter (33% variance, p < .0001) and white matter (17% variance, p < .05) volume. Gray matter volume in the thalamus, basal ganglia, medial temporal, and medial prefrontal regions, and white matter volume in the fornix correlated with cognitive deficits. Crucially, the analysis indicated that brain volume reductions were associated with more extensive cognitive impairment in the cannabis versus the non-cannabis MS group. Interpretation These results suggest that cannabis use in MS results in more widespread cognitive deficits, which correlate with tissue volume in subcortical, medial temporal, and prefrontal regions. These are the first findings demonstrating an association between cannabis use, cognitive impairment and structural brain changes in MS patients. PMID:26106538

  2. Neutron scatter studies of chromatin structure related to functions

    SciTech Connect

    Bradbury, E.M.

    1989-01-01

    Neutron scatter studies have been performed at LANSCE, LANL and at the Institute Laue Langevin, Grenoble, France. In the previous progress report (April 1, 1988--July 1, 1988) the following objectives were listed: shape of the histone octamer; location of the N-terminal domains of histone in the nucleosome core particle (specific aim 1 of original grant proposal); effect of acetylation on nucleosome structure (specific aim 2); location of the globular domain of histone H1 (specific aim 6); and complexes of the transcription factor 3A with its DNA binding site. Progress is briefly discussed.

  3. Structure and Functional Studies of DEN-2 Virus Genome.

    DTIC Science & Technology

    1983-09-01

    No. 3. RECIPIENT’S CAT ALO NUMBER 4. TI TL E (and Subtitle) 5. TYPE OF REPORT A PERIOD COVERED Structure and Functional Studies on Dengue -2 Progress... Dengue virus glycoprotein antigen E. . Cloning of complementary DNA (eDNA) copy of Dengue viral RNA into E. coli HB101/pBR322 host/vector system and...characterization of a alone that containe-a 400 bp insert complementary to Dengue RNA will be described. 2. Construction of a cDNA library using Dengue

  4. Structure and Functional Studies of DEN-2 Virus Genome.

    DTIC Science & Technology

    1982-09-01

    Structure and Functional Studies on Dengue -2 Progress Report Virus Genome 1 Mar 82 - I Sep 82 6. PERFORMING ORO. REPORT NUMBER 7. AUTHOR(e) 8. CONTRACT OR...Identify by block number) Complementdry DNA synthesis of Dengue -2 RNA by avian reverse transcriptase in vitro. The size of the DNA copy of Dengue RNA is in...Unannounced 0 Justification ............ By........... Di.A b-Aio: i Availability Codes S Avail and (or 2 Abstract 1. Dengue -2 RNA (DEN-2 RNA) was extracted

  5. Study of the crystal structure of silicon nanoislands on sapphire

    SciTech Connect

    Krivulin, N. O. Pirogov, A. V.; Pavlov, D. A.; Bobrov, A. I.

    2015-02-15

    The results of studies of the crystal structure of silicon nanoislands on sapphire are reported. It is shown that the principal defects in silicon nanoislands on sapphire are twinning defects. As a result of the formation of such defects, different crystallographic orientations are formed in silicon nanoislands on sapphire. In the initial stages of the molecular-beam epitaxy of silicon on sapphire, there are two basic orientations: the (001) orientation parallel to the surface and the (001) orientation at an angle of 70° to the surface.

  6. Theoretical studies of the electronic structure of small metal clusters

    NASA Technical Reports Server (NTRS)

    Jordan, K. D.

    1982-01-01

    Theoretical studies of the electronic structure of metal clusters, in particular clusters of Group IIA and IIB atoms were conducted. Early in the project it became clear that electron correlation involving d orbitals plays a more important role in the binding of these clusters than had been previously anticipated. This necessitated that computer codes for calculating two electron integrals and for constructing the resulting CI Hamiltonions be replaced with newer, more efficient procedures. Program modification, interfacing and testing were performed. Results of both plans are reported.

  7. Structural and mechanical studies of cadmium manganese thiocyanate crystal

    NASA Astrophysics Data System (ADS)

    Manikandan, M. R.; Vijayaprasath, G.; babu, G. Anandha; Bhagavannarayan, G.; Vijayan, N.; Ravi, G.

    2012-06-01

    Single crystals of cadmium manganese thiocyanate (CMTC) have been synthesized successfully and grown by slow evaporation method. The structural perfection of the grown crystals has been analyzed by High resolution X-ray diffraction (HRXRD), which shows the crystalline perfection of the grown crystal is quite good. Optical behavior was assessed by UV-Vis analysis and found that no absorption in the UV visible region and it may be useful for second harmonic applications. The mechanical hardness of the grown crystals was studied and Vicker's microhardness, Stiffness constant was calculated.

  8. Nuclear structure studies with gamma-ray beams

    SciTech Connect

    Tonchev, Anton; Bhatia, Chitra; Kelley, John; Raut, Rajarshi; Rusev, Gencho; Tornow, Werner; Tsoneva, Nadia

    2015-05-28

    In stable and weakly bound neutron-rich nuclei, a resonance-like concentration of dipole states has been observed for excitation energies below the neutron-separation energy. This clustering of strong dipole states has been named the Pygmy Dipole Resonance (PDR) in contrast to the Giant Dipole Resonance (GDR) that dominates the E1 response. Understanding the PDR is presently of great interest in nuclear structure and nuclear astrophysics. High-sensitivity studies of E1 and M1 transitions in closed-shell nuclei using monoenergetic and 100% linearly-polarized photon beams are presented.

  9. Extended x-ray absorption fine structure studies of hemoglobin

    SciTech Connect

    Shulman, R.G.

    1987-02-01

    Results of extended x-ray absorption fine structure (EXAFS) studies of the iron atom in deoxygenated hemoglobin are reviewed. It is shown that the iron-porphinato nitrogen distance has been determined to be 2.06 +/- 0.01 A by two independent investigations. Difficulties experienced in using this distance to calculate the iron's distance above the plane by triangulation are shown to be due to ignoring differences between ferrous and ferric hemes. It is concluded that the iron is 0.2 +/- 0.1/0.2 A above the plane of the nitrogens as originally shown.

  10. Phase structure of a single urban intersection: a simulation study

    NASA Astrophysics Data System (ADS)

    Ebrahim Foulaadvand, M.; Fukui, M.; Belbasi, S.

    2010-07-01

    We study the phase structure of a cellular automata model proposed by Belbasi and Foulaadvand to describe the vehicular traffic flow at the intersection of two perpendicular streets. A set of traffic lights operating in a fixed-time scheme controls the traffic flow. A closed boundary condition is applied to the streets, each of which conducts a unidirectional flow. Streets are single-lane and cars cannot turn upon reaching the intersection. Via extensive Monte Carlo simulations it is shown that the model phase diagram consists of ten phases. The flow characteristics in each phase are investigated and the types of phase transitions between phases are specified.

  11. Mechanical alloying of Co and P: Structural and photoacoustic studies

    NASA Astrophysics Data System (ADS)

    Souza, S. M.; Trichês, D. M.; de Lima, J. C.; Grandi, T. A.; Campos, C. E. M.

    2007-09-01

    A mixture of elemental Co and P powders with nominal CoP3 composition was investigated by the mechanical alloying technique. For milling times greater than 26h, the measured x-ray diffraction (XRD) patterns revealed the coexistence of the skutterudite CoP3, the orthorhombic CoP, and Co2P phases. The structural and photoacoustic properties of as-milled powders were studied by the XRD and photoacoustic spectroscopy (PAS) techniques. The thermal diffusivity parameter of the as-milled sample was measured from fitting the PAS signal phase. The thermoelastic bending process is the main contribution to the PAS signal amplitude.

  12. Raman study of phase transformation from diamond structure to wurtzite structure in the silicon nanowires

    NASA Astrophysics Data System (ADS)

    Shukla, A. K.; Dixit, Saurabh

    2016-07-01

    Hexagonal silicon has emerged as an exciting material due to its novel vibrational and electronic properties. Synthesis of the wurtzite silicon nanowires (w-SiNWs) is studied here using metal assisted chemical etching (MACE) technique. Stress induced in the SiNWs during wet chemical etching is attributed to formation of the w-SiNWs. Presence of the w-SiNWs is revealed by first-order and second-order Raman spectra. The effect of variation of deposition time of silver (catalyst) is explicitly studied for growth of w-SiNWs. The deposition time enhances the density of SiNWs in an island of vertically aligned SiNWs. Absorption coefficient studies of the w-SiNWs are also conducted using UV-vis spectroscopy as a function of deposition time. Increase in the absorption coefficient in SiNWs is noticed with increasing deposition time. The prominent quantum confinement along with stress and porosity is shown to be mainly responsible for the transformation from diamond structure to wurtzite structure in the silicon nanowires.

  13. Speckle imaging of solar small scale structure. 2: Study of small scale structure in active regions

    NASA Astrophysics Data System (ADS)

    von der Luehe, O.

    1994-01-01

    The speckle imaging technique which is described in the first paper of this series (von der Luehe 1993) was used to analyze time series of high angular resolution images of solar small scale structure at a wavelength of 585 nm in active regions with the 76 cm diameter vacuum tower telescope at National Solar Observatory (NSO)/Sac Peak. Two sets of reconstructed images with a field of 4 by 4 arcsec which cover a period of 36 min and 83 min were generated and analyzed. The image reconstructions are supplemented with simultaneous large field photographs taken within a 15 A passband centered on the Ca II K (3933) line. The prime objective of the observing program was the study of the structure and the dynamics of the continuum wavelength counterpart of facular points which appear with high contrast in the Ca pictures, i.e., continuum bright points (CBPs). In addition to CBPs, the reconstructions allow studying other small scale phenomena. Results of the studies are given.

  14. A fuselage/tank structure study for actively cooled hypersonic cruise vehicles: Structural analysis

    NASA Technical Reports Server (NTRS)

    Baker, A. H.

    1975-01-01

    The effects of fuselage cross-section (circular and elliptical) and structural arrangement (integral and nonintegral tanks) on the performance of actively cooled hypersonic cruise vehicles was evaluated. It was found that integrally machined stiffening of the tank walls, while providing the most weight-efficient use of materials, results in higher production costs. Fatigue and fracture mechanics appeared to have little effect on the weight of the three study aircraft. The need for thermal strain relief through insulation is discussed. Aircraft size and magnitude of the internal pressure are seen to be significant factors in tank design.

  15. Crystal Structure and Inhibition Studies of Transglutaminase from Streptomyces mobaraense*

    PubMed Central

    Yang, Ming-Te; Chang, Cheng-Hsiang; Wang, Jiou Ming; Wu, Tung Kung; Wang, Yu-Kuo; Chang, Chin-Yuan; Li, TienHsiung Thomas

    2011-01-01

    The crystal structure of the microbial transglutaminase (MTGase) zymogen from Streptomyces mobaraense has been determined at 1.9-Å resolution using the molecular replacement method based on the crystal structure of the mature MTGase. The overall structure of this zymogen is similar to that of the mature form, consisting of a single disk-like domain with a deep active cleft at the edge of the molecule. A major portion of the prosequence (45 additional amino acid residues at the N terminus of the mature transglutaminase) folds into an L-shaped structure, consisting of an extended N-terminal segment linked with a one-turn short helix and a long α-helix. Two key residues in the short helix of the prosequence, Tyr-12 and Tyr-16, are located on top of the catalytic triad (Cys-110, Asp-301, and His-320) to block access of the substrate acyl donors and acceptors. Biochemical characterization of the mature MTGase, using N-α-benzyloxycarbonyl-l-glutaminylglycine as a substrate, revealed apparent Km and kcat/Km values of 52.66 mm and 40.42 mm−1 min−1, respectively. Inhibition studies using the partial prosequence SYAETYR and homologous sequence SQAETYR showed a noncompetitive inhibition mechanism with IC50 values of 0.75 and 0.65 mm, respectively, but no cross-linking product formation. Nevertheless, the prosequence homologous oligopeptide SQAETQR, with Tyr-12 and Tyr-16 each replaced with Gln, exhibited inhibitory activity with the formation of the SQAETQR-monodansylcadaverine fluorophore cross-linking product (SQAETQR-C-DNS). MALDI-TOF tandem MS analysis of SQAETQR-C-DNS revealed molecular masses corresponding to those of NSQAETQC-C-DNS and C-DNS-NQRC sequences, suggesting the incorporation of C-DNS onto the C-terminal Gln residue of the prosequence homologous oligopeptide. These results support the putative functional roles of both Tyr residues in substrate binding and inhibition. PMID:21193394

  16. A DFT study on structural, vibrational properties, and quasiparticle band structure of solid nitromethane

    NASA Astrophysics Data System (ADS)

    Appalakondaiah, S.; Vaitheeswaran, G.; Lebègue, S.

    2013-05-01

    We report a detailed theoretical study of the structural and vibrational properties of solid nitromethane using first principles density functional calculations. The ground state properties were calculated using a plane wave pseudopotential code with either the local density approximation, the generalized gradient approximation, or with a correction to include van der Waals interactions. Our calculated equilibrium lattice parameters and volume using a dispersion correction are found to be in reasonable agreement with the experimental results. Also, our calculations reproduce the experimental trends in the structural properties at high pressure. We found a discontinuity in the bond length, bond angles, and also a weakening of hydrogen bond strength in the pressure range from 10 to 12 GPa, picturing the structural transition from phase I to phase II. Moreover, we predict the elastic constants of solid nitromethane and find that the corresponding bulk modulus is in good agreement with experiments. The calculated elastic constants show an order of C11> C22 > C33, indicating that the material is more compressible along the c-axis. We also calculated the zone center vibrational frequencies and discuss the internal and external modes of this material under pressure. From this, we found the softening of lattice modes around 8-11 GPa. We have also attempted the quasiparticle band structure of solid nitromethane with the G0W0 approximation and found that nitromethane is an indirect band gap insulator with a value of the band gap of about 7.8 eV with G0W0 approximation. Finally, the optical properties of this material, namely the absorptive and dispersive part of the dielectric function, and the refractive index and absorption spectra are calculated and the contribution of different transition peaks of the absorption spectra are analyzed. The static dielectric constant and refractive indices along the three inequivalent crystallographic directions indicate that this material

  17. Deployable-erectable trade study for space station truss structures

    NASA Technical Reports Server (NTRS)

    Mikulas, M. M., Jr.; Wright, A. S., Jr.; Bush, H. G.; Watson, J. J.; Dean, E. B.; Twigg, L. T.; Rhodes, M. D.; Cooper, P. A.; Dorsey, J. T.; Lake, M. S.

    1985-01-01

    The results of a trade study on truss structures for constructing the space station are presented. Although this study was conducted for the reference gravity gradient space station, the results are generally applicable to other configurations. The four truss approaches for constructing the space station considered in this paper were the 9 foot single fold deployable, the 15 foot erectable, the 10 foot double fold tetrahedral, and the 15 foot PACTRUSS. The primary rational for considering a 9 foot single-fold deployable truss (9 foot is the largest uncollapsed cross-section that will fit in the Shuttle cargo bay) is that of ease of initial on-orbit construction and preintegration of utility lines and subsystems. The primary rational for considering the 15 foot erectable truss is that the truss bay size will accommodate Shuttle size payloads and growth of the initial station in any dimension is a simple extension of the initial construction process. The primary rational for considering the double-fold 10 foot tetrahedral truss is that a relatively large amount of truss structure can be deployed from a single Shuttle flight to provide a large number of nodal attachments which present a pegboard for attaching a wide variety of payloads. The 15 foot double-fold PACTRUSS was developed to incorporate the best features of the erectable truss and the tetrahedral truss.

  18. Studying Radiation Damage in Structural Materials by Using Ion Accelerators

    NASA Astrophysics Data System (ADS)

    Hosemann, Peter

    2011-02-01

    Radiation damage in structural materials is of major concern and a limiting factor for a wide range of engineering and scientific applications, including nuclear power production, medical applications, or components for scientific radiation sources. The usefulness of these applications is largely limited by the damage a material can sustain in the extreme environments of radiation, temperature, stress, and fatigue, over long periods of time. Although a wide range of materials has been extensively studied in nuclear reactors and neutron spallation sources since the beginning of the nuclear age, ion beam irradiations using particle accelerators are a more cost-effective alternative to study radiation damage in materials in a rather short period of time, allowing researchers to gain fundamental insights into the damage processes and to estimate the property changes due to irradiation. However, the comparison of results gained from ion beam irradiation, large-scale neutron irradiation, and a variety of experimental setups is not straightforward, and several effects have to be taken into account. It is the intention of this article to introduce the reader to the basic phenomena taking place and to point out the differences between classic reactor irradiations and ion irradiations. It will also provide an assessment of how accelerator-based ion beam irradiation is used today to gain insight into the damage in structural materials for large-scale engineering applications.

  19. Nucleon Resonance Structure Studies via Exclusive KY Electroproduction

    NASA Astrophysics Data System (ADS)

    Carman, Daniel S.

    2016-10-01

    Studying the structure of excited nucleon states employing the electroproduction of exclusive reactions is an important avenue for exploring the nature of the non-perturbative strong interaction. The electrocouplings of N^* states in the mass range below 1.8 GeV have been determined from analyses of CLAS π N, η N, and π π N data. This work has made it clear that consistent results from independent analyses of several exclusive channels with different couplings and non-resonant backgrounds but the same N^* electro-excitation amplitudes, is essential to have confidence in the extracted results. In terms of hadronic coupling, many high-lying N^* states preferentially decay through the π π N channel instead of π N. Data from the KY channels will therefore be critical to provide an independent analysis to compare the extracted electrocouplings for the high-lying N^* states against those determined from the π N and π π {N} channels. A program to study excited N^* state structure in both non-strange and strange exclusive electroproduction channels using CLAS12 will measure differential cross sections and polarization observables to be used as input to extract the γ _v{it{NN}}^* electrocoupling amplitudes for the most prominent N^* states in the range of invariant energy W up 3 GeV in the virtually unexplored domain of momentum transfers Q^2 up to 12 GeV^2.

  20. A structure-activity relationship study of ABCC2 inhibitors.

    PubMed

    Wissel, Gloria; Deng, Feng; Kudryavtsev, Pavel; Ghemtio, Leo; Wipf, Peter; Xhaard, Henri; Kidron, Heidi

    2017-02-07

    Multidrug resistance associated protein 2 (MRP2/ABCC2) is a membrane transport protein that can potentially affect the disposition of many substrate drugs and their metabolites. Recently, we studied the interaction of a library of 432 compounds with ABCC2, and the structure-activity relationship (SAR) of a subset of 64 compounds divided into four scaffolds (Wissel, G. et al., 2015. Bioorg Med Chem., 23(13), pp.3513-25). We have now expanded this test set by investigating 114 new compounds, of which 71 are representative of the previous four scaffolds and 43 compounds belong to a new scaffold. Interaction with ABCC2 was assessed by measuring the compounds effect on 5(6)-carboxy-2',7'-dichlorofluorescein transport in the vesicular transport assay. In line with our previous study, we observed that anionic charge is not essential for inhibition of ABCC2 transport, even though it often increases the inhibitory activity within the analogue series. Additionally, we found that halogen substitutions often increase the inhibitory activity. The results confirm the importance of structural features such as aromaticity and lipophilicity for ABCC2 inhibitory activity.

  1. Nucleon resonance structure studies via exclusive KY electroproduction

    DOE PAGES

    Carman, Daniel S.

    2016-06-16

    Studying the structure of excited nucleon states employing the electroproduction of exclusive reactions is an important avenue for exploring the nature of the non-perturbative strong interaction. The electrocouplings ofmore » $N^*$ states in the mass range below 1.8~GeV have been determined from analyses of CLAS $$\\pi N$$, $$\\eta N$$, and $$\\pi \\pi N$$ data. This work has made it clear that consistent results from independent analyses of several exclusive channels with different couplings and non-resonant backgrounds but the same $N^*$ electro excitation amplitudes, is essential to have confidence in the extracted results. In terms of hadronic coupling, many high-lying $N^*$ states preferentially decay through the $$\\pi \\pi N$$ channel instead of $$\\pi N$$. Data from the $KY$ channels will therefore be critical to provide an independent analysis to compare the extracted electrocouplings for the high-lying $N^*$ states against those determined from the $$\\pi N$$ and $$\\pi \\pi N$$ channels. Lastly, a program to study excited $N^*$ state structure in both non-strange and strange exclusive electroproduction channels using CLAS12 will measure differential cross sections and polarization observables to be used as input to extract the $$\\gamma_vNN^*$$ electrocoupling amplitudes for the most prominent $N^*$ states in the range of invariant energy $W$ up 3~GeV in the virtually unexplored domain of momentum transfers $Q^2$ up to 12~GeV$^2$.« less

  2. Nucleon resonance structure studies via exclusive KY electroproduction

    SciTech Connect

    Carman, Daniel S.

    2016-06-16

    Studying the structure of excited nucleon states employing the electroproduction of exclusive reactions is an important avenue for exploring the nature of the non-perturbative strong interaction. The electrocouplings of $N^*$ states in the mass range below 1.8~GeV have been determined from analyses of CLAS $\\pi N$, $\\eta N$, and $\\pi \\pi N$ data. This work has made it clear that consistent results from independent analyses of several exclusive channels with different couplings and non-resonant backgrounds but the same $N^*$ electro excitation amplitudes, is essential to have confidence in the extracted results. In terms of hadronic coupling, many high-lying $N^*$ states preferentially decay through the $\\pi \\pi N$ channel instead of $\\pi N$. Data from the $KY$ channels will therefore be critical to provide an independent analysis to compare the extracted electrocouplings for the high-lying $N^*$ states against those determined from the $\\pi N$ and $\\pi \\pi N$ channels. Lastly, a program to study excited $N^*$ state structure in both non-strange and strange exclusive electroproduction channels using CLAS12 will measure differential cross sections and polarization observables to be used as input to extract the $\\gamma_vNN^*$ electrocoupling amplitudes for the most prominent $N^*$ states in the range of invariant energy $W$ up 3~GeV in the virtually unexplored domain of momentum transfers $Q^2$ up to 12~GeV$^2$.

  3. Study of wound dressing structure and hydration/dehydration properties

    NASA Astrophysics Data System (ADS)

    Lugão, A. B.; Machado, L. D. B.; Miranda, L. F.; Alvarez, M. R.; Rosiak, J. M.

    1998-06-01

    Hydrogels manufactured by radio-induced crosslinking and simultaneous sterilisation of hydrogels of PVP, PEG and agar, according to the Rosiak method, have many desirable properties for using as wound dressings. However, some properties need to be improved or better controlled. The membranes need to be strong enough to be freely used. Another important property to be controlled is the capacity of absorption of exudate and the kinetics of drying. Therefore, it was necessary to understand the role of main parameters (agar, PVP, PEG concentration and dose) in the structure of the net and in the hydration and dehydration properties. The structure of the membranes was studied by sol analysis and the hydrating/dehydrating properties were studied by isothermal thermogravimetric analysis. The gel content for all samples were always in agreement with expected values considering that only PVP undergoes crosslinking. The hydrating and dehydration results did not show variation with the tested parameters. It was concluded that the network was solely composed of crosslinked PVP plasticezed by the other compounds. The properties of hydration/dehydration is related rather to diffusion than to capillarity or osmose and to the chemical retention of water in the polymeric matrix.

  4. Control Of Flexible Structures-2 (COFS-2) flight control, structure and gimbal system interaction study

    NASA Technical Reports Server (NTRS)

    Fay, Stanley; Gates, Stephen; Henderson, Timothy; Sackett, Lester; Kirchwey, Kim; Stoddard, Isaac; Storch, Joel

    1988-01-01

    The second Control Of Flexible Structures Flight Experiment (COFS-2) includes a long mast as in the first flight experiment, but with the Langley 15-m hoop column antenna attached via a gimbal system to the top of the mast. The mast is to be mounted in the Space Shuttle cargo bay. The servo-driven gimbal system could be used to point the antenna relative to the mast. The dynamic interaction of the Shuttle Orbiter/COFS-2 system with the Orbiter on-orbit Flight Control System (FCS) and the gimbal pointing control system has been studied using analysis and simulation. The Orbiter pointing requirements have been assessed for their impact on allowable free drift time for COFS experiments. Three fixed antenna configurations were investigated. Also simulated was Orbiter attitude control behavior with active vernier jets during antenna slewing. The effect of experiment mast dampers was included. Control system stability and performance and loads on various portions of the COFS-2 structure were investigated. The study indicates possible undesirable interaction between the Orbiter FCS and the flexible, articulated COFS-2 mast/antenna system, even when restricted to vernier reaction jets.

  5. [Determination of short-chain chlorinated paraffins in ambient air using high-volume sampling combined with high resolutimi gas chromatography-electron capture negative ion-low resolution mass spectrometry].

    PubMed

    Shi, Loimeng; Gao, Yuan; Hou, Xiaohong; Zhang, Haijun; Zhang, Yichi; Chen, Jiping

    2016-02-01

    An analytical method for quantifying short-chain chlorinated paraffins (SCCPs) in ambient air using high-volume sampling combined with high resolution gas chromatography-electron capture negative ion-low resolution mass spectrometry ( HRGC-ECNI-LRMS) was developed. An acidified silica gel column and a basic alumina column were used to optimize the cleanup procedures. The results showed a good linearity (R2>0. 99) between the total response factors and the degree of chlorination of SCCPs in the content range of 58. 1%-63. 3%. The limits of detection (S/N ≥3) and the limits of quantification (S/N ≥ 10) were 4. 2 and 12 µg, respectively. The method detection limit (MDL) for SCCPs was 0. 34 ng/m3 (n = 7). The recoveries of SCCPs in air samples were in the range of 81. 9% to 94. 2%. It is demonstrated that the method is suitable for the quantitative analysis of SCCPs in air samples.

  6. Source localization of intermittent rhythmic delta activity in a patient with acute confusional migraine: cross-spectral analysis using standardized low-resolution brain electromagnetic tomography (sLORETA).

    PubMed

    Kim, Dae-Eun; Shin, Jung-Hyun; Kim, Young-Hoon; Eom, Tae-Hoon; Kim, Sung-Hun; Kim, Jung-Min

    2016-01-01

    Acute confusional migraine (ACM) shows typical electroencephalography (EEG) patterns of diffuse delta slowing and frontal intermittent rhythmic delta activity (FIRDA). The pathophysiology of ACM is still unclear but these patterns suggest neuronal dysfunction in specific brain areas. We performed source localization analysis of IRDA (in the frequency band of 1-3.5 Hz) to better understand the ACM mechanism. Typical IRDA EEG patterns were recorded in a patient with ACM during the acute stage. A second EEG was obtained after recovery from ACM. To identify source localization of IRDA, statistical non-parametric mapping using standardized low-resolution brain electromagnetic tomography was performed for the delta frequency band comparisons between ACM attack and non-attack periods. A difference in the current density maximum was found in the dorsal anterior cingulated cortex (ACC). The significant differences were widely distributed over the frontal, parietal, temporal and limbic lobe, paracentral lobule and insula and were predominant in the left hemisphere. Dorsal ACC dysfunction was demonstrated for the first time in a patient with ACM in this source localization analysis of IRDA. The ACC plays an important role in the frontal attentional control system and acute confusion. This dysfunction of the dorsal ACC might represent an important ACM pathophysiology.

  7. Characterization of adhesive from oysters: A structural and compositional study

    NASA Astrophysics Data System (ADS)

    Alberts, Erik

    The inability for man-made adhesives to set in wet or humid environments is an ongoing challenging the design of biomedical and marine adhesive materials. However, we see that nature has already overcome this challenge. Mussels, barnacles, oysters and sandcastle worms all have unique mechanisms by which they attach themselves to surfaces. By understanding what evolution has already spent millions of years perfecting, we can design novel adhesive materials inspired by nature's elegant designs. The well-studied mussel is currently the standard for design of marine inspired biomimetic polymers. In the work presented here, we aim to provide new insights into the adhesive produced by the eastern oyster, Crassostrea virginica. Unlike the mussel, which produces thread-like plaques comprised of DOPA containing-protein, the oyster secretes an organic-inorganic hybrid adhesive as it settles and grows onto a surface. This form of adhesion renders the oyster to be permanently fixed in place. Over time, hundreds of thousands of oyster grow and agglomerate to form extensive reef structures. These reefs are not only essential to survival of the oyster, but are also vital to intertidal ecosystems. While the shell of the oyster has been extensively studied, curiously, only a few conflicting insights have been made into the nature of the adhesive and contact zone between shell and substrate, and even lesfs information has been ascertained on organic and inorganic composition. In this work, we provide microscopy and histochemical studies to characterize the structure and composition of the adhesive, using oyster in the adult and juvenile stages of life. Preliminary work on extracting and characterizing organic components through collaborative help with solid-state NMR (SSNMR) and proteomics are also detailed here. We aim to provide a full, comprehensive characterization of oyster adhesive so that in the future, we may apply what we learn to the design of new materials.

  8. A study of Hot Flow Anomalies and their internal structure

    NASA Astrophysics Data System (ADS)

    Shestakov, Artyom; Vaisberg, Oleg

    Hot Flow Anomalies (HFAs) were studied for long time. Here we attempt to study internal structure of HFAs. Our study is based on the Interball Tail Probe data. We used data from ion-spectrometer SCA-1, magnetic field measurements from MIF and ELECTRON spectrometer measurements. We have chosen five anomalies for our investigation on the basis of well resolved structure. We calculated displacement velocity along bow shock, flow velocities within HFA and compared convection patterns within them. We checked the main criteria of HFA formation: motional electric field direction was directed toward current sheet at least at one side of it (except one case), bow shock was quasi-perpendicular at least at one side of HFA, and angle between current sheet normal and solar wind velocity was large. Convection velocities of plasma within HFA were calculated by subtracting average velocity from measured ion velocities along spacecraft trajectory through anomaly. These convection velocities, viewed in coordinate system determined by shock normal and calculated IMF current sheet normal, clearly show separation of HFA region in 3 parts: leading part, narrow central part, and trailing part. HFAs we analyzed can be separated in two groups according to pattern of convection velocities. First type of HFAs have velocities directed from central region and circulation in leading and trailing parts. Second type of HFAs show predominant motion along the current sheet. There also other differences between these two types of HFA that are discussed in presentation. Judging from plasma convection pattern within HFAs received additional evidence that central region is the source of energy and momentum near interplanetary current sheet crossing location. We calculated balance of energy within HFA using momentum equation to estimate what amount of reflected particles is needed for central region to be the energy source.

  9. Theoretical studies in nuclear reactions and nuclear structure

    SciTech Connect

    Not Available

    1992-05-01

    Research in the Maryland Nuclear Theory Group focusses on problems in four basic areas of current relevance. Hadrons in nuclear matter; the structure of hadrons; relativistic nuclear physics and heavy ion dynamics and related processes. The section on hadrons in nuclear matter groups together research items which are aimed at exploring ways in which the properties of nucleons and the mesons which play a role in the nuclear force are modified in the nuclear medium. A very interesting result has been the finding that QCD sum rules supply a new insight into the decrease of the nucleon's mass in the nuclear medium. The quark condensate, which characterizes spontaneous chiral symmetry breaking of the late QCD vacuum, decreases in nuclear matter and this is responsible for the decrease of the nucleon's mass. The section on the structure of hadrons contains progress reports on our research aimed at understanding the structure of the nucleon. Widely different approaches are being studied, e.g., lattice gauge calculations, QCD sum rules, quark-meson models with confinement and other hedgehog models. A major goal of this type of research is to develop appropriate links between nuclear physics and QCD. The section on relativistic nuclear physics represents our continuing interest in developing an appropriate relativistic framework for nuclear dynamics. A Lorentz-invariant description of the nuclear force suggests a similar decrease of the nucleon's mass in the nuclear medium as has been found from QCD sum rules. Work in progress extends previous successes in elastic scattering to inelastic scattering of protons by nuclei. The section on heavy ion dynamics and related processes reports on research into the e{sup +}e{sup {minus}} problem and heavy ion dynamics.

  10. Theoretical studies in nuclear reactions and nuclear structure. Progress report

    SciTech Connect

    Not Available

    1992-05-01

    Research in the Maryland Nuclear Theory Group focusses on problems in four basic areas of current relevance. Hadrons in nuclear matter; the structure of hadrons; relativistic nuclear physics and heavy ion dynamics and related processes. The section on hadrons in nuclear matter groups together research items which are aimed at exploring ways in which the properties of nucleons and the mesons which play a role in the nuclear force are modified in the nuclear medium. A very interesting result has been the finding that QCD sum rules supply a new insight into the decrease of the nucleon`s mass in the nuclear medium. The quark condensate, which characterizes spontaneous chiral symmetry breaking of the late QCD vacuum, decreases in nuclear matter and this is responsible for the decrease of the nucleon`s mass. The section on the structure of hadrons contains progress reports on our research aimed at understanding the structure of the nucleon. Widely different approaches are being studied, e.g., lattice gauge calculations, QCD sum rules, quark-meson models with confinement and other hedgehog models. A major goal of this type of research is to develop appropriate links between nuclear physics and QCD. The section on relativistic nuclear physics represents our continuing interest in developing an appropriate relativistic framework for nuclear dynamics. A Lorentz-invariant description of the nuclear force suggests a similar decrease of the nucleon`s mass in the nuclear medium as has been found from QCD sum rules. Work in progress extends previous successes in elastic scattering to inelastic scattering of protons by nuclei. The section on heavy ion dynamics and related processes reports on research into the e{sup +}e{sup {minus}} problem and heavy ion dynamics.

  11. X-ray studies of flaring magnetic structures

    NASA Astrophysics Data System (ADS)

    Goff, Christopher Philip

    This thesis studies non-thermal emission from flaring magnetic structures by looking at HXR emission from flare footpoints at a faint X-ray source above a flare loop and finally at radio emission generated by eruptions. By complementing high quality data from recent missions with data from older instrumentation, studies were performed to compare with accepted models. The relation between Hard X-ray footpoint emission and magnetic field strength in a sample of 32 flares was studied in order to investigate the effects of the magnetic field on the transport of accelerated electrons. It was found that one third of compact flares studied had stronger footpoints in stronger magnetic regions whereas the reverse is anticipated from magnetic trapping arguments. On 16th April 2002, a limb flare was studied in many wavelengths. This provided an opportunity to study an erupting filament from the low corona and into interplanetary space. RHESSI identified a moving X-ray source associated with a rising filament, confirming the plasmoid definition of Tsuneta (1997). The velocity profile of the filament was determined along with its exponential acceleration. This suggested that an instability was responsible for eruption, possibly the kink instability. Doppler shifts were observed on either side of the filament as it crossed the slit field of view, suggesting helical flows and thus a flux rope. A succession of quadrupolar flares, followed by an LDE were then studied. An associated CME was seen and appeared linked to the quadrupolar flares which should re main confined. The flaring region triggered loop expansion, which interacted with a neighbouring large-scale streamer. This led to a fast CME front, which weakened the restraining field above the active region filaments allowing a partial filament eruption. Although at first glance the observations appeared contradictory it was demonstrated that the quadrupolar flares remained confined while triggering a large-scale eruption.

  12. A theoretical and spectroscopic study of conformational structures of piroxicam

    NASA Astrophysics Data System (ADS)

    Souza, Kely Ferreira de; Martins, José A.; Pessine, Francisco B. T.; Custodio, Rogério

    2010-02-01

    Piroxicam (PRX) has been widely studied in an attempt to elucidate the causes and mechanisms of its side effects, mainly the photo-toxicity. In this paper fluorescence spectra in non-protic solvents and different polarities were carried out along with theoretical calculations. Preliminary potential surfaces of the keto and enol forms were obtained at AM1 level of theory providing the most stable conformers, which had their structure re-optimized through the B3LYP/CEP-31G(d,p) method. From the optimized structures, the electronic spectra were calculated using the TD-DFT method in vacuum and including the solvent effect through the PCM method and a single water molecule near PRX. A new potential surface was constructed to the enol tautomer at DFT level and the most stable conformers were submitted to the QST2 calculations. The experimental data showed that in apolar media, the solution fluorescence is raised. Based on conformational analysis for the two tautomers, keto and enol, the results indicated that the PRX-enol is the main tautomer related to the drug fluorescence, which is reinforced by the spectra results, as well as the interconvertion barrier obtained from the QST2 calculations. The results suggest that the PRX one of the enol conformers presents great possibility of involvement in the photo-toxicity mechanisms.

  13. Tooth structure studied using the atomic force microscope

    NASA Astrophysics Data System (ADS)

    Kasas, Sandor; Berdal, Ariane; Celio, Marco R.

    1993-06-01

    We used the atomic force microscope (AFM) to observe structure of the tooth, both rat and human. The rigidity and the surface flatness of thin sections of this mineralized tissue, allow us to attain good resolution with the AFM. As enamel contains uniquely large crystals of hydroxyapatite it can be investigated at high resolution. Tooth enamel and thin slices of undecalcified developing tooth germs from 2 - 12 day old rats were observed, embedded in acrylic resin (Lowicryl K4M). In addition, as orthophosphoric acid is widely used clinically to etch tooth enamel before restoring with composites, we studied its action at pH2 on the tooth surface during 1 hour of exposition. Hydroxyapatite crystals and collagen fibers were seen in the tooth slices observed in air, and the classical structure of the enamel was visible. The etched enamel surface under liquid, showed dramatic differences to that imaged in air. Modifications to the surface were also seen during exposure to the acid.

  14. A study on characteristics of EM radiation from stripline structure

    NASA Astrophysics Data System (ADS)

    Kayano, Yoshiki; Inoue, Hiroshi

    2011-10-01

    In recent years, effective methods for predicting and suppressing electromagnetic interference over a broad band are required. In this paper, we focus on the prediction of electromagnetic (EM) radiation from a stripline structure with a ground thin wire by an equivalent circuit model. First, frequency responses of common-mode (CM) current on the printed circuit board and EM radiation are studied with finite difference time domain modeling. Secondly, an equivalent circuit model for predicting CM current is proposed. The equivalent circuit model for prediction is based on the concepts of CM antenna impedance, distributed constant circuit, and electric coupling between the power plane and the thin ground wire. Good agreement between the predicted and full-wave analysis results indicates the validity of the proposed equivalent circuit model. The frequency response of EM radiation from the stripline structure can be identified using our proposed model. In addition, the equivalent circuit model provides enough flexibility for different geometric parameters and can be used to develop physical insights and design guidelines.

  15. Cassia grandis Linn. f. seed galactomannan: structural and crystallographical studies.

    PubMed

    Joshi, Harsha; Kapoor, Virendra P

    2003-09-01

    Cassia grandis is a small or medium sized tree, found in abundance throughout India. The seeds contain about 50% endosperm gum and possess the characteristics of becoming a potential source of seed gum. The purified polysaccharide has been characterized as a pure galactomannan having a mannose-galactose ratio of 3.15; molecular weight (Mw) 80,200; polydispersity (Mw/Mn), 1.35 and intrinsic viscosity [eta], 848 mL/g. Methylation, periodate oxidation, Smith degradation and 13C NMR studies confirm that the polysaccharide has the basic structure of legume galactomannans consisting of a beta-(1-->4)-linked main mannan backbone to which galactose units are attached at O-6. The orthorhombic lattice constants of the hydrated gum are as follows: a=9.00, b=24.81, c=10.30 A. The crystallographic data establish that the probable space group symmetry of the unit cell is P2(1)2(1)2. The results are in contradiction to earlier reports (Indian J. Chem. 16B (1978) 966; J. Indian Chem. Soc. 55 (1978) 1216) in which a non-galactomannan polysaccharide structure has been assigned having a main chain of (1-->4)-linked galactose and mannose units in the molar ratio 6:3, where 50% of the galactose units branched with two galactose and one mannose through 1-->3 linkage.

  16. Structural study of Ge/GaAs thin films

    NASA Astrophysics Data System (ADS)

    Lazarov, V. K.; Lari, L.; Lytvyn, P. M.; Kholevchuk, V. V.; Mitin, V. F.

    2012-07-01

    Ge/GaAs heterostructure research is largely motivated by the application of this material in solar cells, metal-oxide-semiconductor field-effect transistors, mm-wave mixer diodes, temperature sensors and photodetectors. Therefore, understanding of how the properties of Ge/GaAs heterostructure depend on its preparation (growth) is of importance for various high-efficiency devices. In this work, by using thermal Ge evaporation on GaAs(100), we studied structural properties of these films as a function of the deposition rate. Film grains size and morphology show strong dependence of the deposition rate. Low deposition rates results in films with large crystal grains and rough surface. At high deposition rates films become flatter and their crystal grains size decreases, while at very high deposition rates films become amorphous. Cross-sectional TEM of the films show that the Ge films are granular single crystal epitaxially grown on GaAs. The Ge/GaAs interface is atomically abrupt and free from misfit dislocations. Stacking faults along the [111] directions that originate at the interface were also observed. Finally by using the Kelvin probe microscopy we show that work function changes are related to the grain structure of the film.

  17. Structural and binding studies of SAP-1 protein with heparin.

    PubMed

    Yadav, Vikash K; Mandal, Rahul S; Puniya, Bhanwar L; Kumar, Rahul; Dey, Sharmistha; Singh, Sarman; Yadav, Savita

    2015-03-01

    SAP-1 is a low molecular weight cysteine protease inhibitor (CPI) which belongs to type-2 cystatins family. SAP-1 protein purified from human seminal plasma (HuSP) has been shown to inhibit cysteine and serine proteases and exhibit interesting biological properties, including high temperature and pH stability. Heparin is a naturally occurring glycosaminoglycan (with varied chain length) which interacts with a number of proteins and regulates multiple steps in different biological processes. As an anticoagulant, heparin enhances inhibition of thrombin by the serpin antithrombin III. Therefore, we have employed surface plasmon resonance (SPR) to improve our understanding of the binding interaction between heparin and SAP-1 (protease inhibitor). SPR data suggest that SAP-1 binds to heparin with a significant affinity (KD = 158 nm). SPR solution competition studies using heparin oligosaccharides showed that the binding of SAP-1 to heparin is dependent on chain length. Large oligosaccharides show strong binding affinity for SAP-1. Further to get insight into the structural aspect of interactions between SAP-1 and heparin, we used modelled structure of the SAP-1 and docked with heparin and heparin-derived polysaccharides. The results suggest that a positively charged residue lysine plays important role in these interactions. Such information should improve our understanding of how heparin, present in the reproductive tract, regulates cystatins activity.

  18. Structural and optical study of tellurite-barium glasses

    NASA Astrophysics Data System (ADS)

    Grelowska, I.; Reben, M.; Burtan, B.; Sitarz, M.; Cisowski, J.; Yousef, El Sayed; Knapik, A.; Dudek, M.

    2016-12-01

    The goal of this work was to determine the effect of barium oxide on the structural, thermal and optical properties of the TeO2-BaO-Na2O (TBN) and TeO2-BaO-WO3 (TBW) glass systems. Raman spectra allow relating the glass structure and vibration properties (i.e. vibrational frequencies and Raman intensities) with the glass composition. Raman spectra show the presence of TeO4 and TeO3+1/TeO3 units that conform with the glass matrix. Differential thermal analysis DTA, XRD measurements have been considered in term of BaO addition. The spectral dependence of ellipsometric angles of the tellurite-barium glass has been studied. The optical measurements were conducted on Woollam M2000 spectroscopic ellipsometer in spectral range of 190-1700 nm. The reflectance and transmittance measurements have been done on spectrophotometer Perkin Elmer, Lambda 900 in the range of 200-2500 nm (UV-VIS-NIR). From the transmittance spectrum, the energy gap was determined.

  19. A study of structural foot deformity in stroke patients

    PubMed Central

    Jang, Gwon Uk; Kweon, Mi Gyoug; Park, Seol; Kim, Ji Young; Park, Ji Won

    2015-01-01

    [Purpose] The aim of this study was to evaluate the structural deformity of the foot joint on the affected side in hemiplegic patients to examine factors that affect this kind of structural deformity. [Subjects and Methods] Thirty-one hemiplegic patients and 32 normal adults participated. The foot posture index (FPI) was used to examine the shape of the foot, the modified Ashworth scale test was used to examine the degree of ankle joint rigidity, the navicular drop test was used to investigate the degree of navicular change, and the resting calcaneal stance position test was used to identify location change of the heel bone. [Results] The FPIs of the paretic side of the hemiplegic patients, the non-paretic side of the hemiplegic patients, and normal participants were −0.25 ± 2.1, 1.74 ± 2.3, and 2.12 ± 3.4 respectively. [Conclusion] Our findings indicated that in stroke-related hemiplegic patients, the more severe the spasticity, the more supinated the foot. Further, the smaller the degree of change in the navicular height of hemiplegic patients is, the more supinated the paretic side foot is. Additionally, a greater change in the location of the calcaneus was associated with greater supination of the overall foot. PMID:25642071

  20. The study of precision measurement of pelvis spatial structure

    NASA Astrophysics Data System (ADS)

    Ma, Xiang; Ouyang, Jianfei; Qu, Xinghua

    2009-12-01

    Osteometry is fundamental for anthropometry. It provides the key technology and value to the study of palaeoanthropology, medicine, and criminal investigation. The traditional osteometry that has been widely accepted and used since 18th century has no longer met the information demand for modern research and application. It is significant and necessary to create an advanced 3-dimensional osteometry technique for anthropometry. This paper presents a new quick and accurate method to measure human pelvis through mathematical modeling. The pelvis is a complex combination of bones, which consists of three connected parts: hipbones, sacrum, and coccyx. There are over 40 items to be measured for the 1-dimension characteristics. In this paper, a combined measuring technology is developed for pelvis measurement. It uses machine vision systems and a portable measuring arm to obtain key geometry parameters of the pelvis. The mathematics models of the pelvis spatial structure and its parts are created through the process of data collecting, digging, assembling, and modeling. The experiment shows that the proposed technology can meet traditional osteometry and obtain entire 1D geometric parameters of the pelvis, such as maximum breadth and height, diameter of obstetric conjugata, inclination angle, and sakralneigungswinkel, etc. at the same time after modeling. Besides making the measurements above, the proposed technology can measure the geometry characteristics of pelvis and its parts, such as volume, surface area, curvature, and spatial structure, which are almost impossible for traditional technology. The overall measuring error is less than 0.1mm.

  1. The study of precision measurement of pelvis spatial structure

    NASA Astrophysics Data System (ADS)

    Ma, Xiang; Ouyang, Jianfei; Qu, Xinghua

    2010-03-01

    Osteometry is fundamental for anthropometry. It provides the key technology and value to the study of palaeoanthropology, medicine, and criminal investigation. The traditional osteometry that has been widely accepted and used since 18th century has no longer met the information demand for modern research and application. It is significant and necessary to create an advanced 3-dimensional osteometry technique for anthropometry. This paper presents a new quick and accurate method to measure human pelvis through mathematical modeling. The pelvis is a complex combination of bones, which consists of three connected parts: hipbones, sacrum, and coccyx. There are over 40 items to be measured for the 1-dimension characteristics. In this paper, a combined measuring technology is developed for pelvis measurement. It uses machine vision systems and a portable measuring arm to obtain key geometry parameters of the pelvis. The mathematics models of the pelvis spatial structure and its parts are created through the process of data collecting, digging, assembling, and modeling. The experiment shows that the proposed technology can meet traditional osteometry and obtain entire 1D geometric parameters of the pelvis, such as maximum breadth and height, diameter of obstetric conjugata, inclination angle, and sakralneigungswinkel, etc. at the same time after modeling. Besides making the measurements above, the proposed technology can measure the geometry characteristics of pelvis and its parts, such as volume, surface area, curvature, and spatial structure, which are almost impossible for traditional technology. The overall measuring error is less than 0.1mm.

  2. A Study of Flexible Composites for Expandable Space Structures

    NASA Technical Reports Server (NTRS)

    Scotti, Stephen J.

    2016-01-01

    Payload volume for launch vehicles is a critical constraint that impacts spacecraft design. Deployment mechanisms, such as those used for solar arrays and antennas, are approaches that have successfully accommodated this constraint, however, providing pressurized volumes that can be packaged compactly at launch and expanded in space is still a challenge. One approach that has been under development for many years is to utilize softgoods - woven fabric for straps, cloth, and with appropriate coatings, bladders - to provide this expandable pressure vessel capability. The mechanics of woven structure is complicated by a response that is nonlinear and often nonrepeatable due to the discrete nature of the woven fiber architecture. This complexity reduces engineering confidence to reliably design and certify these structures, which increases costs due to increased requirements for system testing. The present study explores flexible composite materials systems as an alternative to the heritage softgoods approach. Materials were obtained from vendors who utilize flexible composites for non-aerospace products to determine some initial physical and mechanical properties of the materials. Uniaxial mechanical testing was performed to obtain the stress-strain response of the flexible composites and the failure behavior. A failure criterion was developed from the data, and a space habitat application was used to provide an estimate of the relative performance of flexible composites compared to the heritage softgoods approach. Initial results are promising with a 25% mass savings estimated for the flexible composite solution.

  3. Structural studies and electrical properties of Cs/Al/Te/O phases with the pyrochlore structure.

    PubMed

    Li, Jun; Siritanon, Theeranun; Stalick, Judith K; Sleight, Arthur W; Subramanian, M A

    2011-06-20

    A series of polycrystalline and single crystal cesium aluminum tellurates with the pyrochlore structure have been prepared and characterized. The variations in cell edge for the Cs/Al/Te/O phases range from 10.06 Å for the Al rich limit to 10.14 Å for the Te rich limit. Rietveld structural analyses based on both X-ray and neutron diffraction data were performed on 5 different compositions. Single crystals of 3 compositions were prepared and studied by X-ray diffraction. The anharmonic component of the thermal motion for Cs was small but became significant on replacing Cs with Rb. A maximum in the electrical conductivity of about 0.1 S/cm is found in the middle of this range close to the ideal composition of CsAl(1/3)Te(5/3)O(6). The conductivity is attributed to filled Te 5s states associated with Te(4+) lying just below the conduction band based on empty Te 5s states associated with Te(6+). The relatively large Te(4+) ion is compressed by the lattice, and as this compression increases the filled 5s states approach the conduction band and thereby increases conductivity.

  4. Structure-Activity Relationship Study of Novel Peptoids That Mimic the Structure of Antimicrobial Peptides

    PubMed Central

    Mojsoska, Biljana; Zuckermann, Ronald N.

    2015-01-01

    The constant emergence of new bacterial strains that resist the effectiveness of marketed antimicrobials has led to an urgent demand for and intensive research on new classes of compounds to combat bacterial infections. Antimicrobial peptoids comprise one group of potential candidates for antimicrobial drug development. The present study highlights a library of 22 cationic amphipathic peptoids designed to target bacteria. All the peptoids share an overall net charge of +4 and are 8 to 9 residues long; however, the hydrophobicity and charge distribution along the abiotic backbone varied, thus allowing an examination of the structure-activity relationship within the library. In addition, the toxicity profiles of all peptoids were assessed in human red blood cells (hRBCs) and HeLa cells, revealing the low toxicity exerted by the majority of the peptoids. The structural optimization also identified two peptoid candidates, 3 and 4, with high selectivity ratios of 4 to 32 and 8 to 64, respectively, and a concentration-dependent bactericidal mode of action against Gram-negative Escherichia coli. PMID:25941221

  5. Structural and optical studies of CuO nanostructures

    SciTech Connect

    Chand, Prakash Gaur, Anurag Kumar, Ashavani

    2014-04-24

    In the present study, copper oxide (CuO) nanostructures have been synthesized at 140 °C for different aging periods, 1, 24, 48 and 96 hrs by hydrothermal method to investigate their effects on structural and optical properties. The X-ray diffractometer (XRD) pattern indicates the pure phase formation of CuO and the particle size, calculated from XRD data, has been found to be increasing from 21 to 36 nm for the samples synthesized at different aging periods. Field emission scanning electron microscope (FESEM) analysis also shows that the average diameter and length of these rectangular nano flakes increases with increasing the aging periods. Moreover Raman spectrums also confirm the phase formation of CuO. The optical band gaps calculated through UV-visible spectroscopy are found to be decreasing from 2.92 to 2.69 eV with increase in aging periods, 1 to 96 hrs, respectively.

  6. Nuclear-structure studies of exotic nuclei with MINIBALL

    NASA Astrophysics Data System (ADS)

    Butler, P. A.; Cederkall, J.; Reiter, P.

    2017-04-01

    High-resolution γ-ray spectroscopy has been established at ISOLDE for nuclear-structure and nuclear-reaction studies with reaccelerated radioactive ion beams provided by the REX-ISOLDE facility. The MINIBALL spectrometer comprises 24 six-fold segmented, encapsulated high-purity germanium crystals. It was specially designed for highest γ-ray detection efficiency which is advantageous for low-intensity radioactive ion beams. The MINIBALL array has been used in numerous Coulomb-excitation and transfer-reaction experiments with exotic ion beams of energies up to 3 MeV A–1. The physics case covers a wide range of topics which are addressed with beams ranging from neutron-rich magnesium isotopes up to heavy radium isotopes. In the future the HIE-ISOLDE will allow the in-beam γ-ray spectroscopy program to proceed with higher secondary-beam intensity, higher beam energy and better beam quality.

  7. Studies on structural properties of clay magnesium ferrite nano composite

    NASA Astrophysics Data System (ADS)

    Kaur, Manpreet; Singh, Mandeep; Jeet, Kiran; Kaur, Rajdeep

    2015-08-01

    Magnesium ferrite-bentonite clay composite was prepared by sol-gel combustion method employing citric acid as complexing agent and fuel. The effect of clay on the structural properties was studied with X-ray diffraction (XRD), Fourier transform infrared (FT-IR) Spectroscopy, Scanning electron microscopy (SEM), SEM- Energy dispersive Spectroscope (EDS) and BET surface area analyzer. Decrease in particle size and density was observed on addition of bentonite clay. The BET surface area of nano composite containing just 5 percent clay was 74.86 m2/g. Whereas porosity increased from 40.5 per cent for the pure magnesium ferrite to 81.0 percent in the composite showing that nano-composite has potential application as an adsorbent.

  8. Studying Cerebral Vasculature Using Structure Proximity and Graph Kernels

    PubMed Central

    Kwitt, Roland; Pace, Danielle; Niethammer, Marc; Aylward, Stephen

    2014-01-01

    An approach to study population differences in cerebral vasculature is proposed. This is done by 1) extending the concept of encoding cerebral blood vessel networks as spatial graphs and 2) quantifying graph similarity in a kernel-based discriminant classifier setup. We argue that augmenting graph vertices with information about their proximity to selected brain structures adds discriminative information and consequently leads to a more expressive encoding. Using graph-kernels then allows us to quantify graph similarity in a principled way. To demonstrate our approach, we assess the hypothesis that gender differences manifest as variations in the architecture of cerebral blood vessels, an observation that previously had only been tested and confirmed for the Circle of Willis. Our results strongly support this hypothesis, i.e, we can demonstrate non-trivial, statistically significant deviations from random gender classification in a cross-validation setup on 40 healthy patients. PMID:24579182

  9. Structure of electrorheological fluids: a dielectric study of chain formation.

    PubMed

    Horváth, B; Szalai, I

    2012-12-01

    A dielectric measurement method has been proposed to apply to the study of the microstructure of electrorheological (ER) fluids. To test our measurement method the dielectric permittivity increment caused by pair and chain formation was measured in dilute Brownian ER fluids composed of silicone oil and nanosized silica particles. The critical values of the electric field required to induce structure formation were experimentally determined from the electric field dependence of the measured permittivity increment. From the electric field induced time evolution of the relative permittivity of ER fluids, the characteristic times of the pair and chain formation were calculated. Our experimental results for the time constants are in good agreement with the corresponding theoretical data obtained from the Eyring theory.

  10. Study of Light Scalar Meson Structure in D1 Decay

    NASA Astrophysics Data System (ADS)

    Hoshino, H.; Harada, M.; Ma, Y. L.

    2013-03-01

    We study the quark structure of the sigma meson through the decay of D1(2430) meson by constructing an effective Lagrangian for charmed mesons interacting with light mesons based on the chiral symmetry and heavy quark symmetry. Within the linear realization of the chiral symmetry, we include the P-wave charmed mesons (D1(2430), D0(2400)) as the chiral partners of (D., D), and the light scalar mesons as the chiral partner of the pseudoscalar mesons. In the light meson sector, both the qbar {q} and qqbar {q}bar {q} states are incorporated respecting their different U(1)A transformation properties. We predict the D1 → Dππ decay width with two pions in the I = 0, l = 0 channel, which can be tested in the future experiment. We find that the width increases with the percentage of the qbar {q} content in the sigma meson.

  11. Structure, IR and Raman spectra of phosphotrihydrazide studied by DFT.

    PubMed

    Furer, V L; Vandyukov, A E; Majoral, J P; Caminade, A M; Kovalenko, V I

    2016-09-05

    The FTIR and FT Raman measurements of the phosphotrihydrazide (S)P[N(Me)-NH2]3 have been performed. This compound is a zero generation dendrimer G0 with terminal amine groups. Structural optimization and normal mode analysis were obtained for G0 by the density functional theory (DFT). Optimized geometric bond length and angles obtained by DFT show good agreement with experiment. The amine terminal groups are characterized by the well-defined bands at 3321, 3238, 1614cm(-1) in the experimental IR spectrum and by bands at 3327, 3241cm(-1) in the Raman spectrum of G0. The experimental frequencies of asymmetric and symmetric NH2 stretching vibrations of amine group are lower than theoretical values due to intramolecular NH⋯S hydrogen bond. This hydrogen bond is also responsible for higher experimental infrared intensity of these bands as compared with theoretical values. Relying on DFT calculations a complete vibrational assignment is proposed for the studied dendrimer.

  12. Material and structural studies of metal and polymer matrix composites

    NASA Technical Reports Server (NTRS)

    Signorelli, R. A.; Serafini, T. T.; Johns, R. H.

    1972-01-01

    The application of fiber composites to aeronautical and space vehicle systems indicates the following: It appears quite probable that resin/fiber composites can be developed for service at 315 C for several thousand hours and at 370 C for a few hundred hours. The retention of resin/fiber strength at these high temperatures can be achieved by modifying the polymer molecular structure or by developing new processing techniques, or both. Carbon monofilament with attractive strength values has been produced and fabrication studies to reinforce aluminum with such monofilaments have been initiated. Refractory wire-superalloy composites have demonstrated sufficiently high strength and impact values to suggest that they have potential for application to turbine blades at temperatures to 1200 C and above.

  13. Studies on structural properties of clay magnesium ferrite nano composite

    SciTech Connect

    Kaur, Manpreet Singh, Mandeep; Jeet, Kiran Kaur, Rajdeep

    2015-08-28

    Magnesium ferrite-bentonite clay composite was prepared by sol-gel combustion method employing citric acid as complexing agent and fuel. The effect of clay on the structural properties was studied with X-ray diffraction (XRD), Fourier transform infrared (FT-IR) Spectroscopy, Scanning electron microscopy (SEM), SEM- Energy dispersive Spectroscope (EDS) and BET surface area analyzer. Decrease in particle size and density was observed on addition of bentonite clay. The BET surface area of nano composite containing just 5 percent clay was 74.86 m{sup 2}/g. Whereas porosity increased from 40.5 per cent for the pure magnesium ferrite to 81.0 percent in the composite showing that nano-composite has potential application as an adsorbent.

  14. Quantitative structure activity relationship studies of mushroom tyrosinase inhibitors

    NASA Astrophysics Data System (ADS)

    Xue, Chao-Bin; Luo, Wan-Chun; Ding, Qi; Liu, Shou-Zhu; Gao, Xing-Xiang

    2008-05-01

    Here, we report our results from quantitative structure-activity relationship studies on tyrosinase inhibitors. Interactions between benzoic acid derivatives and tyrosinase active sites were also studied using a molecular docking method. These studies indicated that one possible mechanism for the interaction between benzoic acid derivatives and the tyrosinase active site is the formation of a hydrogen-bond between the hydroxyl (aOH) and carbonyl oxygen atoms of Tyr98, which stabilized the position of Tyr98 and prevented Tyr98 from participating in the interaction between tyrosinase and ORF378. Tyrosinase, also known as phenoloxidase, is a key enzyme in animals, plants and insects that is responsible for catalyzing the hydroxylation of tyrosine into o-diphenols and the oxidation of o-diphenols into o-quinones. In the present study, the bioactivities of 48 derivatives of benzaldehyde, benzoic acid, and cinnamic acid compounds were used to construct three-dimensional quantitative structure-activity relationship (3D-QSAR) models using comparative molecular field (CoMFA) and comparative molecular similarity indices (CoMSIA) analyses. After superimposition using common substructure-based alignments, robust and predictive 3D-QSAR models were obtained from CoMFA ( q 2 = 0.855, r 2 = 0.978) and CoMSIA ( q 2 = 0.841, r 2 = 0.946), with 6 optimum components. Chemical descriptors, including electronic (Hammett σ), hydrophobic (π), and steric (MR) parameters, hydrogen bond acceptor (H-acc), and indicator variable ( I), were used to construct a 2D-QSAR model. The results of this QSAR indicated that π, MR, and H-acc account for 34.9, 31.6, and 26.7% of the calculated biological variance, respectively. The molecular interactions between ligand and target were studied using a flexible docking method (FlexX). The best scored candidates were docked flexibly, and the interaction between the benzoic acid derivatives and the tyrosinase active site was elucidated in detail. We believe

  15. Structural, morphological and electroluminescence studies of Zno:Co nanophosphor

    NASA Astrophysics Data System (ADS)

    Singh, Anju; Vishwakarma, H. L.

    2016-09-01

    The nanoparticles of zinc oxide (ZnO) doped with various concentrations of cobalt (Co) were synthesized by chemical precipitation method in the presence of capping agent polyvinylpyrrolidone (PVP). The effect of doping concentration on structural and morphological properties has been studied by X-ray diffraction (XRD) and scanning electron microscope (SEM). Cell volume, bond length, texture coefficient, lattice constants and dislocation density are also studied. Here, we also compared the interplaner spacing and relative peak intensities from their standard values with different angles. Crystallite sizes have been calculated by Debye-Scherrer's formula whose values are decreasing with increase in cobalt content up to 3 %. It has been seen that the growth orientation of the prepared ZnO nanorods was (101). The XRD analysis also ensures that ZnO has a hexagonal (wurtzite) crystal structure. The electroluminescence (EL) cells were prepared by placing pure and cobalt-doped ZnO nanoparticles between ITO-coated conducting glass plate and aluminium foil. Alternating voltage of various frequencies was applied, and EL brightness at different voltages was measured and corresponding current was also recorded. The voltage dependence of electroluminescence (EL) brightness of the ZnO:Co shows exponential increase. The linear voltage-current characteristic indicates ohmic nature. The EL brightness at a particular voltage is found to increase by increasing Co doping, but for higher percentage of Co the EL brightness is reduced. It is also seen that Co does not influence the threshold voltage. The brightness is also affected by increasing the frequency of AC signal.

  16. Oculomotor Neurocircuitry, a Structural Connectivity Study of Infantile Nystagmus Syndrome

    PubMed Central

    Kashou, Nasser H.; Zampini, Angelica R.

    2015-01-01

    Infantile Nystagmus Syndrome (INS) is one of the leading causes of significant vision loss in children and affects about 1 in 1000 to 6000 births. In the present study, we are the first to investigate the structural pathways of patients and controls using diffusion tensor imaging (DTI). Specifically, three female INS patients from the same family were scanned, two sisters and a mother. Six regions of interest (ROIs) were created manually to analyze the number of tracks. Additionally, three ROI masks were analyzed using TBSS (Tract-Based Spatial Statistics). The number of fiber tracks was reduced in INS subjects, compared to normal subjects, by 15.9%, 13.9%, 9.2%, 18.6%, 5.3%, and 2.5% for the pons, cerebellum (right and left), brainstem, cerebrum, and thalamus. Furthermore, TBSS results indicated that the fractional anisotropy (FA) values for the patients were lower in the superior ventral aspects of the pons of the brainstem than in those of the controls. We have identified some brain regions that may be actively involved in INS. These novel findings would be beneficial to the neuroimaging clinical and research community as they will give them new direction in further pursuing neurological studies related to oculomotor function and provide a rational approach to studying INS. PMID:25860806

  17. Implementation of a Matrix Organizational Structure: A Case Study.

    ERIC Educational Resources Information Center

    Whorton, David M.

    The implementation of a matrix structure as an alternative to the traditional collegial/bureaucratic form at a college of education in a medium-size state university is described. Matrix organizational structures are differentiated from hierarchical bureaucratic structures by dividing the organization's tasks into functional units across which an…

  18. NMR structural studies of PECVD amorphous silicon films

    NASA Astrophysics Data System (ADS)

    Cull, Thomas Sidley, Jr.

    The properties of plasma enhanced chemical vapor deposition (PECVD) amorphous semiconductor films vary depending upon preparation conditions and doping. Hydrogenated amorphous silicon films (a-Si:H) have some properties that make these films desirable for use in solar cells and photoreceptor devices. Maximizing electronic and structural properties of such films is key to their success. Nuclear magnetic resonance, and in particular deuterium magnetic resonance (DMR) for a-Si:H,D films, is a useful means to study the morphology of such samples. The location and motions of hydrogen and the chemically equivalent deuterium within an amorphous semiconductor film can be observed with NMR. The information from the NMR studies can be correlated with electronic properties studies to determine whether a given sample would make a successful photovoltaic device. This thesis focuses on three aspects of study: comparison of two samples that differ in the bias applied to the substrate upon which the amorphous films were grown; derivation of relaxation parameters for covalently bonded deuterium; development of a new pulse sequence "incremental spin echo double resonance (SEDOR)" to study the number of unlike spins that contribute to the local field of a given nuclei. Four significant conclusions can be drawn. First, the electronic quality as measured by the photoresponse product etamutau correlates with the broad Gaussian DMR spectral feature which arises from molecular hydrogen in sites that restrict motion. Second, the relaxation of nuclear magnetization under extreme inhomogeneous broadening can be modeled very well as the relaxation without spin diffusion to faster relaxing species within a sample. Third, incremental SEDOR has either a quantum mechanical or classical behavior depending upon the length of the pulse spacing in comparison to the spin-spin relaxation time. Fourth, the local field at the hydrogen of an HD pair within an a-Si:H,D sample is determined on average by

  19. Novel aldehyde and thiosemicarbazone derivatives: Synthesis, spectroscopic characterization, structural studies and molecular docking studies

    NASA Astrophysics Data System (ADS)

    Karakurt, Tuncay; Tahtaci, Hakan; Subasi, Nuriye Tuna; Er, Mustafa; Ağar, Erbil

    2016-12-01

    In this study our purpose is that, synthesis and characterization of compounds containing the aldehyde and thiosemicarbazone groups and comparison of the theoretical results with the experimental results. The structures of all synthesized compounds were elucidated by IR, 1H NMR, 13C NMR, elemental analyses techniques. The structure of compound (4) (C9H8N4O2S) was also elucidated by X-ray diffraction analysis. In addition, the theoretical IR spectrum, 1H NMR and 13C NMR chemical shift values, frontier molecular orbital values (FMO) of these molecules were analyzed by using Becke-3- Lee-Yang-Parr (B3LYP) method with LanL2DZ basis set. Finally, molecular docking studies were performed on synthesized compounds using the 4DKI beta-lactam protein structure to determine the potential binding mode of inhibitors.

  20. WAXS studies of the structural diversity of hemoglobin in solution.

    SciTech Connect

    Makowski, L.; Bardhan, J.; Gore, D.; Lal, J.; Mandava, S.; Park, S.; Rodi, D. J.; Ho, N. T.; Ho, C.; Fischetti, R. F.

    2011-01-01

    Specific ligation states of hemoglobin are, when crystallized, capable of taking on multiple quaternary structures. The relationship between these structures, captured in crystal lattices, and hemoglobin structure in solution remains uncertain. Wide-angle X-ray solution scattering (WAXS) is a sensitive probe of protein structure in solution that can distinguish among similar structures and has the potential to contribute to these issues. We used WAXS to assess the relationships among the structures of human and bovine hemoglobins in different liganded forms in solution. WAXS data readily distinguished among the various forms of hemoglobins. WAXS patterns confirm some of the relationships among hemoglobin structures that have been defined through crystallography and NMR and extend others. For instance, methemoglobin A in solution is, as expected, nearly indistinguishable from HbCO A. Interestingly, for bovine hemoglobin, the differences between deoxy-Hb, methemoglobin and HbCO are smaller than the corresponding differences in human hemoglobin. WAXS data were also used to assess the spatial extent of structural fluctuations of various hemoglobins in solution. Dynamics has been implicated in allosteric control of hemoglobin, and increased dynamics has been associated with lowered oxygen affinity. Consistent with that notion, WAXS patterns indicate that deoxy-Hb A exhibits substantially larger structural fluctuations than HbCO A. Comparisons between the observed WAXS patterns and those predicted on the basis of atomic coordinate sets suggest that the structures of Hb in different liganded forms exhibit clear differences from known crystal structure.

  1. Approximation method to compute domain related integrals in structural studies

    NASA Astrophysics Data System (ADS)

    Oanta, E.; Panait, C.; Raicu, A.; Barhalescu, M.; Axinte, T.

    2015-11-01

    Various engineering calculi use integral calculus in theoretical models, i.e. analytical and numerical models. For usual problems, integrals have mathematical exact solutions. If the domain of integration is complicated, there may be used several methods to calculate the integral. The first idea is to divide the domain in smaller sub-domains for which there are direct calculus relations, i.e. in strength of materials the bending moment may be computed in some discrete points using the graphical integration of the shear force diagram, which usually has a simple shape. Another example is in mathematics, where the surface of a subgraph may be approximated by a set of rectangles or trapezoids used to calculate the definite integral. The goal of the work is to introduce our studies about the calculus of the integrals in the transverse section domains, computer aided solutions and a generalizing method. The aim of our research is to create general computer based methods to execute the calculi in structural studies. Thus, we define a Boolean algebra which operates with ‘simple’ shape domains. This algebraic standpoint uses addition and subtraction, conditioned by the sign of every ‘simple’ shape (-1 for the shapes to be subtracted). By ‘simple’ shape or ‘basic’ shape we define either shapes for which there are direct calculus relations, or domains for which their frontiers are approximated by known functions and the according calculus is carried out using an algorithm. The ‘basic’ shapes are linked to the calculus of the most significant stresses in the section, refined aspect which needs special attention. Starting from this idea, in the libraries of ‘basic’ shapes, there were included rectangles, ellipses and domains whose frontiers are approximated by spline functions. The domain triangularization methods suggested that another ‘basic’ shape to be considered is the triangle. The subsequent phase was to deduce the exact relations for the

  2. Structured Smoking Cessation Training for Medical Students: A Prospective Study

    PubMed Central

    Herold, Ronja; Schiekirka, Sarah; Brown, Jamie; Bobak, Alex; McEwen, Andy

    2016-01-01

    Introduction: Physician adherence to guideline recommendations regarding the provision of counseling and support for smokers willing to quit is low. A lack of training during undergraduate medical education has been identified as a potential cause. This prospective intervention study evaluated a novel teaching module for medical students. Methods: As part of a 6-week cardiovascular course, 125 fourth-year undergraduate medical students received a multimodal and interactive teaching module on smoking cessation, including online learning material, lectures, seminars, and practical skills training. Short- and medium-term effects on knowledge, skills, attitudes, and self-reported practice were measured using written examinations and an objective structured clinical examination at the end of the module and 6 months later. Results were compared to data obtained from a historical control cohort (n = 70) unexposed to the intervention. Results: At the 6-month follow-up, scores in the knowledge test were significantly higher in the intervention than the control group (61.1% vs. 51.7%; p < .001). A similar pattern was observed in the objective structured clinical examination (71.5% vs. 60.5%; p < .001). More students in the intervention than control group agreed that smoking was a chronic disease (83.1% vs. 68.1%; p = .045). The control group was more likely to report recording smoking status (p = .018), but no group difference was detected regarding the report of advising to quit (p = .154). Conclusions: A novel teaching module for undergraduate medical students produced a sustained learning outcome in terms of knowledge, skills, and attitudes but not self-reported practice. Implications: Studies across the world have identified considerable knowledge gaps and deficits in practical training with regard to smoking cessation counseling in undergraduate medical students. This paper describes a teaching intervention informed by current recommendations for the design of

  3. Use of Surface Wave Reflections to Study Offshore Structures

    NASA Astrophysics Data System (ADS)

    Mak, S.; Koketsu, K.; Miyake, H.; Sekine, S.

    2008-12-01

    It is understood that a lateral discontinuity of crustal structure can act as a reflector of surface waves. The reflection coefficient for surface waves at a realistic discontinuity is usually small (<0.1) that the reflected waves are weak, thus difficult to observe among surface wave coda. However, with the high spatial resolution and sensitivity of the Hi-net seismic network, surface waves reflections are observed by tiltmeters and seismometers at the Chugoku and Kinki region of Japan during various major earthquakes, including the Miyagi-ken-oki (2003, Mw7.0), Tokachi-oki (2003, Mw8.3) and Ibaraki-ken-oki (2008, Mw6.8) earthquakes. The reflected wave train has a duration of about 100 seconds and a predominant period of about 30 second. This long period implied that the reflector is likely a velocity anomaly located in the lower crsut. Beamforming analyses demonstrate that a northwestward extension of the Kyushu-Palau ridge southeast to Kyushu is a possible candidate of such a velocity anomaly that acts as a reflector. As the ridge is subducting northwest together with the Philippine Sea plate underneath the Eurasia plate, the reflector is possibly a subducted ridge or sea mount. With the location of reflectors assumed, particle motions show that the reflections are mainly Love waves. We intend to conduct numerical simulations to further quantify the location and nature of the reflectors. This study shows that surface wave reflection is a potential tool to identify subducted structures by land-based observations, supplementary to the orthodox but expensive body wave method involving the use of ocean-bottom seismometers or marine geophysical surveys. This new prospect may benefit researches concerning the relation between seismicity and bathymetry, or the so-called buoyancy hypothesis.

  4. Biochemical and Structural Studies of YEast Vps4 Oligomerization

    SciTech Connect

    Gonciarz, M.; Whitby, F; Eckert, D; Kieffer, C; Heroux, A; Sundquist, W; Hill, C

    2008-01-01

    The ESCRT (endosomal sorting complexes required for transport) pathway functions in vesicle formation at the multivesicular body, the budding of enveloped RNA viruses such as HIV-1, and the final abscission stage of cytokinesis. As the only known enzyme in the ESCRT pathway, the AAA ATPase (ATPase associated with diverse cellular activities) Vps4 provides the energy required for multiple rounds of vesicle formation. Like other Vps4 proteins, yeast Vps4 cycles through two states: a catalytically inactive disassembled state that we show here is a dimer and a catalytically active higher-order assembly that we have modeled as a dodecamer composed of two stacked hexameric rings. We also report crystal structures of yeast Vps4 proteins in the apo- and ATPS (adenosine 5'-O-(3-thiotriphosphate))-bound states. In both cases, Vps4 subunits assembled into continuous helices with 6-fold screw axes that are analogous to helices seen previously in other Vps4 crystal forms. The helices are stabilized by extensive interactions between the large and small AAA ATPase domains of adjacent Vps4 subunits, suggesting that these contact surfaces may be used to build both the catalytically active dodecamer and catalytically inactive dimer. Consistent with this model, we have identified interface mutants that specifically inhibit Vps4 dimerization, dodecamerization, or both. Thus, the Vps4 dimer and dodecamer likely form distinct but overlapping interfaces. Finally, our structural studies have allowed us to model the conformation of a conserved loop (pore loop 2) that is predicted to form an arginine-rich pore at the center of one of the Vps4 hexameric rings. Our mutational analyses demonstrate that pore loop 2 residues Arg241 and Arg251 are required for efficient HIV-1 budding, thereby supporting a role for this 'arginine collar' in Vps4 function.

  5. An Integrated Geophysical study of the Lithospheric Structure Beneath Libya

    NASA Astrophysics Data System (ADS)

    Brown, W. A.; Doser, D. I.; Keller, R. G.

    2003-12-01

    The tectonic evolution of Libya has yielded a complex crustal structure, which is composed of a series of basins and uplifts. A considerable amount of oil exploration has been undertaken in the area and numerous studies have been published on the shallow (<10km depth) geology and geophysics of the region. In addition, over 6000 gravity measurements are available for the northern Libya region. We are using these data in conjunction with other geologic and geophysical control to construct a 3-D model of density/geology for northern Libya and surrounding regions. Knowing the surface geology and having a digital elevation model and observed gravity value at specified stations, we first calculate the gravity contribution for polygonal areas assuming infinite depth. We then calculate the gravitational contribution for the same polygonal area using the Paleozoic surface as the elevation, assuming uniform density for the volume of rocks below the Paleozoic surface. Subtracting the value calculated at the Paleozoic layer from the gravitational value at the surface yields a gravitational value matching that of the layer between the surface and the top of the Paleozoic layer. The same procedure is then repeated for the top of the Precambrian, the Moho, etc. The 3-D model will then be used to develop a regional velocity model that can be verified/modified by analysis of regional seismic waveform data we are collecting from earthquakes occurring within northern Libya. Northern Libya is the most seismologically active and highly faulted portion of the country. For this reason we have collected thirteen Landsat 5 satellite images covering the most seismically active and structurally significant regions of northeast and northwest Libya. The satellite images have been mosaicked using a seamless mosaicking technology based on ENVI's cutline feathering approached. The resulting mosaicked figures were then overlain with the previously mapped faults analyzed to identify the more recent

  6. [Electromagnetic studies of nuclear structure and reactions]. Progress summary

    SciTech Connect

    Not Available

    1992-12-31

    The experimental goals are focused on developing an understanding of strong interactions and the structure of hadronic systems by determination of the electromagnetic response; these goals will be accomplished through coincidence detection of final states. Nuclear modeling objectives are to organize and interpret the data through a consistent description of a broad spectrum of reaction observables; calculations are performed in a nonrelativistic diagrammatic framework as well as a relativistic QHD approach. Work is described according to the following arrangement: direct knockout reactions (completion of {sup 16}O(e,e{prime}p), {sup 12}C(e,e{prime}pp) progress, large acceptance detector physics simulations), giant resonance studies (intermediate-energy experiments with solid-state detectors, the third response function in {sup 12}C(e,e{prime}p{sub 0}) and {sup 16}O(e,e{prime}p{sub 0}), comparison of the {sup 12}C(e, e{prime}p{sub 0}) and {sup 16}O(e,e{prime}p{sub 3}) reactions, quadrupole strength in the {sup 16}O(e,e{prime}{alpha}{sub 0}) reaction, quadrupole strength in the {sup 12}C(e,e{prime}{alpha}) reaction, analysis of the {sup 12}C(e,e{prime}p{sub 1}) and {sup 16}O(e,e{prime}p{sub 3}) angular distributions, analysis of the {sup 40}Ca(e,e{prime}x) reaction at low q, analysis of the higher-q {sup 12}C(e,e{prime}x) data from Bates), models of nuclear structure (experimental work, Hartree-Fock calculations, phonon excitations in spherical nuclei, shell model calculations, variational methods for relativistic fields), and instrumentation development efforts (developments at CEBAF, CLAS contracts, BLAST developments).

  7. Studies of QCD structure in high-energy collisions

    SciTech Connect

    Nadolsky, Pavel M.

    2016-06-26

    Studies of QCD structure in high-energy collisions” is a research project in theoretical particle physics at Southern Methodist University funded by US DOE Award DE-SC0013681. The award furnished bridge funding for one year (2015/04/15-2016/03/31) between the periods funded by Nadolsky’s DOE Early Career Research Award DE-SC0003870 (in 2010-2015) and a DOE grant DE-SC0010129 for SMU Department of Physics (starting in April 2016). The primary objective of the research is to provide theoretical predictions for Run-2 of the CERN Large Hadron Collider (LHC). The LHC physics program relies on state-of-the-art predictions in the field of quantum chromodynamics. The main effort of our group went into the global analysis of parton distribution functions (PDFs) employed by the bulk of LHC computations. Parton distributions describe internal structure of protons during ultrarelivistic collisions. A new generation of CTEQ parton distribution functions (PDFs), CT14, was released in summer 2015 and quickly adopted by the HEP community. The new CT14 parametrizations of PDFs were obtained using benchmarked NNLO calculations and latest data from LHC and Tevatron experiments. The group developed advanced methods for the PDF analysis and estimation of uncertainties in LHC predictions associated with the PDFs. We invented and refined a new ’meta-parametrization’ technique that streamlines usage of PDFs in Higgs boson production and other numerous LHC processes, by combining PDFs from various groups using multivariate stochastic sampling. In 2015, the PDF4LHC working group recommended to LHC experimental collaborations to use ’meta-parametrizations’ as a standard technique for computing PDF uncertainties. Finally, to include new QCD processes into the global fits, our group worked on several (N)NNLO calculations.

  8. Nuclear structure and reaction studies at medium energies

    SciTech Connect

    Hoffmann, G.W.; Ray, R.L.

    1990-10-01

    This document constitutes the (1988--1991) technical progress report for the ongoing medium energy physics research program supported by the US Department of Energy through special Research Grant FG05-88ER40444. The experiments discussed are conducted at the Los Alamos National Laboratory's (LANL) Clinton P. Anderson Meson Physics Facility (LAMPF), the Alternating Gradient Synchrotron (AGS) facility of the Brookhaven National Laboratory (BNL), and at the Fermi National Accelerator Laboratory (FNAL). The overall motivation for the work discussed in this document is driven by three main objectives: (1) provide hadron-nucleon and hadron-nucleus scattering data which serve to facilitate the study of effective two-body interactions, test (and possibly determine) nuclear structure, and help study reaction mechanisms and dynamics;(2) provide unique, first-of-a-kind exploratory'' hadron-nucleus scattering data in the hope that such data will lead to discovery of new phenomena and new physics; and (3) perform precision tests of fundamental interactions, such as rare decay searches, whose observation would imply fundamental new physics.

  9. NMR Study of Organic Counterion Binding to Perfluorinated Micellar Structures

    NASA Astrophysics Data System (ADS)

    Bossev, Dobrin; Matsumoto, Mustuo; Nakahara, Masaru

    2008-03-01

    In this study we have applied our previously developed NMR method to study the adsorption of tetramethylammonium (TMA^+) and tetraethylammonium (TEA^+) counterions to micelles formed by perfluorooctylsulfonate (FOS^-) surfactant in water at 30 C. These two counterions induce formation of threadlike surfactant structures that result in well pronounced viscoelastic properties of the solution. To selectively probe the degree of counterion binding we have used ^1H and ^19F NMR chemical shifts and self-diffusion coefficients that are sensitive to the Stern and diffuse double layers, respectively. The competitive adsorption of TMA^+ and TEA^+ was examined as a function of the TMA^+/TEA^+ ratio at a constant FOS^- concentration of 100 mM. The two counterions were found to form Stern layer around the FOS^- micelles with comparable packing; about one counterion per two micellized FOS molecules. When mixed at intermediate proportions, however, the TEA^+ counterion shows preferential binding; the concentration of TEA^+ in the Stern layer is found to be twice higher than that of TMA^+ at equal total respective concentrations in the solution. These results are discussed in terms of counterion size and hydrophobicity and presented in parallel with those that involved the smaller and more hydrophilic lithium counterion.

  10. Synthesis, structural and fungicidal studies of hydrazone based coordination compounds

    NASA Astrophysics Data System (ADS)

    Sharma, Amit Kumar; Chandra, Sulekh

    2013-02-01

    The coordination compounds of the Co(II), Ni(II) and Cu(II) metal ions derived from imine based ligand, benzil bis(carbohydarzone) were structurally and pharmaceutically studied. The compounds have the general stoichiometry [M(L)]X2 and [Co(L)X2], where M = Ni(II) and Cu(II), and X=NO3- and Cl- ions. The analytical techniques like elemental analyses, molar conductance measurements, magnetic susceptibility measurements, IR, UV/Visible, NMR, ESI mass and EPR were used to study the compounds. The key IR bands, i.e., amide I, amide II and amide III stretching vibrations accounts for the tetradentate metal binding nature of the ligand. The electronic and EPR spectral results suggest the square planar Ni(II) and Cu(II) complexes (giso = 2.11-2.22) and tetragonal geometry Co(II) complexes (giso = 2.10-2.17). To explore the compounds in the biological field, they were examined against the opportunistic pathogens, i.e., Alternaria brassicae, Aspergillus niger and Fusarium oxysporum. The partial covalent character of metal-ligand bond is supported by the orbital reduction factor k (0.62-0.92) and nephalauxetic parameter β (0.55-0.57).

  11. Bicuspid aortic valve hemodynamics: a fluid-structure interaction study

    NASA Astrophysics Data System (ADS)

    Chandra, Santanu; Seaman, Clara; Sucosky, Philippe

    2011-11-01

    The bicuspid aortic valve (BAV) is a congenital defect in which the aortic valve forms with two leaflets instead of three. While calcific aortic valve disease (CAVD) also develops in the normal tricuspid aortic valve (TAV), its progression in the BAV is more rapid. Although studies have suggested a mechano-potential root for the disease, the native BAV hemodynamics remains largely unknown. This study aimed at characterizing BAV hemodynamics and quantifying the degree of wall-shear stress (WSS) abnormality on BAV leaflets. Fluid-structure interaction models validated with particle-image velocimetry were designed to predict the flow and leaflet dynamics in idealized TAV and BAV anatomies. Valvular function was quantified in terms of the effective orifice area. The regional leaflet WSS was characterized in terms of oscillatory shear index, temporal shear magnitude and temporal shear gradient. The predictions indicate the intrinsic degree of stenosis of the BAV anatomy, reveal drastic differences in shear stress magnitude and pulsatility on BAV and TAV leaflets and confirm the side- and site-specificity of the leaflet WSS. Given the ability of abnormal fluid shear stress to trigger valvular inflammation, these results support the existence of a mechano-etiology of CAVD in the BAV.

  12. STM study on the structures of SnSe surfaces

    NASA Astrophysics Data System (ADS)

    Kim, Tae Hoon; Kim, Sang-Ui; Thi Ly, Trinh; Duong, Anh Tuan; Cho, Sunglae; Rhim, S. H.; Kim, Jungdae

    SnSe is a 2 dimensional layered material, and each layer is coupled by van deer Waals forces allowing very easy cleaving though the layer surfaces. SnSe has been studied for various potential applications because of its high stability and elemental abundance in earth. Recently, it was also reported that bulk SnSe has an excellent thermoelectric property of ZT =2.6 at 923 K along the b axis (Zhao et al., Nature 508 373 (2014)). The surface of a single crystal SnSe was studied via a home-built low temperature scanning tunneling microscopy (STM). Clear atomic images of SnSe surfaces were observed at the filled and empty state measurements, and detail atomic structures were analyzed by comparing with DFT simulations. We found that the atomic image of SnSe surfaces measured by STM is not trivial to understand. Only Sn atoms were visible on STM topographic images for the both of filled and empty state probing. This work was supported by the National Research Foundation of Korea(NRF) [Nos. NRF-2013R1A1A1008724, NRF-2009-0093818, and NRF-2014R1A4A1071686].

  13. A Structural and Molecular Approach for the Study Biomarkers

    NASA Technical Reports Server (NTRS)

    Thomas-Keprta, Kathie; Vali, Hojatollah; Sears, S. Kelly; Roh, Yul

    2001-01-01

    Investigation of the nucleation and growth of crystals in both abiotic and biotic systems is critical to seemingly diverse disciplines of geology, biology, environmental science, and astrobiology. While there are abundant studies devoted to the determination of the structure and composition of inorganic crystals, as well as to the development of thermodynamic and kinetic models, it is only recently that research efforts have been directed towards understanding mineralization in biological systems (i.e., biomineralization). Biomineralization refers to the processes by which living organisms form inorganic solids. Studies of the processes of biomineralization under low temperature aqueous conditions have focused primarily on magnetite forming bacteria and shell forming marine organisms. Many of the biological building materials consist of inorganic minerals (calcium carbonate, calcium phosphate, silica or iron oxide) intricately combined with organic polymers (like proteins). More recently, efforts have been undertaken to explore the nature of biological activities in ancient rocks. In the absence of well-preserved microorganisms or genetic material required for the polmerase chain reaction (PCR) method in molecular phylogenetic studies, using biominerals as biomarkers offers an alternative approach for the recognition of biogenic activity in both terrestrial and extraterrestrial environments. The primary driving force in biomineralization is the interaction between organic and inorganic phases. Thus, the investigation of the ultrastructure and the nature of reactions at the molecular level occurring at the interface between inorganic and organic phases is essential to understanding the processes leading to the nucleation and growth of crystals. It is recognized that crystal surfaces can serve as the substrate for the organization of organic molecules that lead to the formation of polymers and other complex organic molecules, and in discussions of the origins of life

  14. Determination of Bromine Stable Isotope Ratios from Saline Solutions by "Wet Plasma" MC-ICPMS Including a Comparison between High- and Low-Resolution Modes, and Three Introduction Systems.

    PubMed

    Louvat, Pascale; Bonifacie, Magali; Giunta, Thomas; Michel, Agnès; Coleman, Max

    2016-04-05

    We describe a novel method for measuring stable bromine isotope compositions in saline solutions such as seawater, brines, and formation waters. Bromine is extracted from the samples by ion exchange chromatography on anion exchange resin AG 1-X4 with NH4NO3 and measured by MC-ICP-MS in wet plasma conditions. Sample introduction through a small spray chamber provided good sensitivity and stability of the Br signal compared to direct injection (d-DIHEN) and desolvation (APEX). NH4NO3 media allowed fast (<3 min) washing of the system. Despite Ar2H(+) spectral interference on (81)Br(+), for the first time low-resolution mode (with appropriate tuning of Ar2H(+)/(81)Br(+) sensitivity) gave higher precision (81)Br/(79)Br measurements than high-resolution (HR), due to the narrowness of the (81)Br(+) plateau in HR mode and to slight mass drifting with time. Additionally, 1 μg Br is the lower amount needed for a triplicate determination of δ(81)Br by MC-ICP-MS, with reproducibility often < ± 0.1‰ (2 SD). Four HBr solutions were prepared by evaporation/condensation in order to obtain in-house reference solutions with 3‰ variations in δ(81)Br and to assess the reproducibility and accuracy of the method. Long-term (>3 years) reproducibility between ± 0.11 and ± 0.27‰ (2 SD) was obtained for the four HBr solutions, the international standard reference material NIST SRM 977 (δ(81)BrSMOB = -0.65 ± 1.1‰, 1 SD), and seawaters (synthetic and natural). The accuracy of the MC-ICP-MS method was validated by comparing the δ(81)Br obtained for these solutions with dual-inlet IRMS measurements on CH3Br gas. Finally, the method was successfully applied to 22 natural samples.

  15. Synoptic Study of Coronal Structures Observed at Meter Wavelengths during the Declining Phase of the Solar Cycle

    NASA Astrophysics Data System (ADS)

    Alissandrakis, C. E.; Lantos, P.

    1996-04-01

    We have produced synoptic maps from daily images of the solar corona on the disk obtained with the Nançay Radioheliograph at 169 MHz during June August 1984. We discuss briefly the structures seen on the synoptic maps and we compare the location of radio sources with photospheric neutral lines and Ha filaments derived from synoptic charts from Meudon, Boulder, and Stanford. We measured the distance of radio sources from these optical features and compared their distribution with computed random distributions. A criterion of confidence is proposed which, when applied to our data, shows that the metric radio sources of thermal origin are best associated with the large-scale neutral lines shown on the low resolution Stanford magnetograms. This association indicates that the emission comes from arcades of moderately dense loops spanning the neutral line. However, the radio sources are not usually located directly above or very close to neutral lines, but their distribution peaks at distances between 4 and 6°. Our results show no statistically significant association with Meudon filaments.

  16. Preliminary design study of the TMT Telescope structure system: overview

    NASA Astrophysics Data System (ADS)

    Usuda, Tomonori; Ezaki, Yutaka; Kawaguchi, Noboru; Nagae, Kazuhiro; Kato, Atsushi; Takaki, Junji; Hirano, Masaki; Hattori, Tomoya; Tabata, Masaki; Horiuchi, Yasushi; Saruta, Yusuke; Sofuku, Satoru; Itoh, Noboru; Oshima, Takeharu; Takanezawa, Takashi; Endo, Makoto; Inatani, Junji; Iye, Masanori; Sadjadpour, Amir; Sirota, Mark; Roberts, Scott; Stepp, Larry

    2014-07-01

    We present an overview of the preliminary design of the Telescope Structure System (STR) of Thirty Meter Telescope (TMT). NAOJ was given responsibility for the TMT STR in early 2012 and engaged Mitsubishi Electric Corporation (MELCO) to take over the preliminary design work. MELCO performed a comprehensive preliminary design study in 2012 and 2013 and the design successfully passed its Preliminary Design Review (PDR) in November 2013 and April 2014. Design optimizations were pursued to better meet the design requirements and improvements were made in the designs of many of the telescope subsystems as follows: 1. 6-legged Top End configuration to support secondary mirror (M2) in order to reduce deformation of the Top End and to keep the same 4% blockage of the full aperture as the previous STR design. 2. "Double Lower Tube" of the elevation (EL) structure to reduce the required stroke of the primary mirror (M1) actuators to compensate the primary mirror cell (M1 Cell) deformation caused during the EL angle change in accordance with the requirements. 3. M1 Segment Handling System (SHS) to be able to make removing and installing 10 Mirror Segment Assemblies per day safely and with ease over M1 area where access of personnel is extremely difficult. This requires semi-automatic sequence operation and a robotic Segment Lifting Fixture (SLF) designed based on the Compliance Control System, developed for controlling industrial robots, with a mechanism to enable precise control within the six degrees of freedom of position control. 4. CO2 snow cleaning system to clean M1 every few weeks that is similar to the mechanical system that has been used at Subaru Telescope. 5. Seismic isolation and restraint systems with respect to safety; the maximum acceleration allowed for M1, M2, tertiary mirror (M3), LGSF, and science instruments in 1,000 year return period earthquakes are defined in the requirements. The Seismic requirements apply to any EL angle, regardless of the

  17. High pressure dielectric studies on the structural and orientational glass.

    PubMed

    Kaminska, E; Tarnacka, M; Jurkiewicz, K; Kaminski, K; Paluch, M

    2016-02-07

    High pressure dielectric studies on the H-bonded liquid D-glucose and Orientationally Disordered Crystal (ODIC) 1,6-anhydro-D-glucose (levoglucosan) were carried out. It was shown that in both compounds, the structural relaxation is weakly sensitive to compression. It is well reflected in the low pressure coefficient of the glass transition and orientational glass transition temperatures which is equal to 60 K/GPa for both D-glucose and 1,6-anhydro-D-glucose. Although it should be noted that ∂Tg(0)/∂p evaluated for the latter compound seems to be enormously high with respect to other systems forming ODIC phase. We also found that the shape of the α-loss peak stays constant for the given relaxation time independently on the thermodynamic condition. Consequently, the Time Temperature Pressure (TTP) rule is satisfied. This experimental finding seems to be quite intriguing since the TTP rule was shown to work well in the van der Waals liquids, while in the strongly associating compounds, it is very often violated. We have also demonstrated that the sensitivity of the structural relaxation process to the temperature change measured by the steepness index (mp) drops with pressure. Interestingly, this change is much more significant in the case of D-glucose with respect to levoglucosan, where the fragility changes only slightly with compression. Finally, kinetics of ODIC-crystal phase transition was studied at high compression. It is worth mentioning that in the recent paper, Tombari and Johari [J. Chem. Phys. 142, 104501 (2015)] have shown that ODIC phase in 1,6-anhydro-D-glucose is stable in the wide range of temperatures and there is no tendency to form more ordered phase at ambient pressure. On the other hand, our isochronal measurements performed at varying thermodynamic conditions indicated unquestionably that the application of pressure favors solid (ODIC)-solid (crystal) transition in 1,6-anhydro-D-glucose. This result mimics the impact of pressure on the

  18. Structural study and geochronology in the Hook Batholith, Central Zambia

    NASA Astrophysics Data System (ADS)

    Naydenov, K.; Lehmann, J.; Saalmann, K.; Milani, L.; Kinnaird, J.; Charlesworth, G.; Frei, D.

    2013-12-01

    The Pan-African Hook batholith is emplaced N of the Mwembeshi dislocation, a regional scale structure at the contact between Zambezi Belt and Lufilian Arc in Central Zambia. Exposed over 12000 km2 the batholith is composed mainly of fine-grained and coarse-grained porphyritic granites and leucogranites affected by solid-state deformation along high-strain zones. Two main zones of deformation were investigated - the Itezhi-Tezhi Zone (ITZ) in the SW part of the batholith and the Nalusanga Zone (NZ) to the NE. The 2.5 km wide, N-S trending, subvertical ITZ is a medium-grade, pure shear dominated structure, reflecting probably regional scale E-W shortening. In the central part of the zone, augen-gneiss textures developed. Mineral lineations plunging ~40° S are recorded occasionally. The deformed feldspar porphyroclasts show symmetrical tails and rarely sinistral stair-stepping. In the SE part of the Hook batholith the continuation of the ITZ trends E-W. This orientation can be explained by rotation of the original ITZ trend by N-S shortening that also has been recorded in the siliciclastic metasediments S of the contact. S dipping, up to 15 cm wide thrust zones observed in the ITZ area were probably formed during this tectonic event. The 3 km wide NZ is a subvertical to steeply SSW dipping structure, parallel to the NE contact of the batholith, with well-developed foliation and mineral stretching lineations. Field and microstructural analyses defined the NZ as a medium-grade, non-coaxial, sinistral strike-slip shear zone. The transition from weak foliated granite to S-C mylonites and ultramylonites was observed. The sinistral shearing is consistent with E-W shortening in agreement with the tectonic framework of the ITZ. The low grade metasediments to the E of the granite are folded in N to NNW trending structures also implying E-W shortening. Temperature conditions during the deformation in ITZ and NZ inferred from microstructural analyses are about 500°-550°C. The

  19. A Structural and Molecular Approach for the Study Biomarkers

    NASA Technical Reports Server (NTRS)

    Thomas-Keprta, Kathie; Vali, Hojatollah; Sears, S. Kelly; Roh, Yul

    2001-01-01

    Investigation of the nucleation and growth of crystals in both abiotic and biotic systems is critical to seemingly diverse disciplines of geology, biology, environmental science, and astrobiology. While there are abundant studies devoted to the determination of the structure and composition of inorganic crystals, as well as to the development of thermodynamic and kinetic models, it is only recently that research efforts have been directed towards understanding mineralization in biological systems (i.e., biomineralization). Biomineralization refers to the processes by which living organisms form inorganic solids. Studies of the processes of biomineralization under low temperature aqueous conditions have focused primarily on magnetite forming bacteria and shell forming marine organisms. Many of the biological building materials consist of inorganic minerals (calcium carbonate, calcium phosphate, silica or iron oxide) intricately combined with organic polymers (like proteins). More recently, efforts have been undertaken to explore the nature of biological activities in ancient rocks. In the absence of well-preserved microorganisms or genetic material required for the polmerase chain reaction (PCR) method in molecular phylogenetic studies, using biominerals as biomarkers offers an alternative approach for the recognition of biogenic activity in both terrestrial and extraterrestrial environments. The primary driving force in biomineralization is the interaction between organic and inorganic phases. Thus, the investigation of the ultrastructure and the nature of reactions at the molecular level occurring at the interface between inorganic and organic phases is essential to understanding the processes leading to the nucleation and growth of crystals. It is recognized that crystal surfaces can serve as the substrate for the organization of organic molecules that lead to the formation of polymers and other complex organic molecules, and in discussions of the origins of life

  20. Studying the Thermal and Structural Evolution of Planetary Bodies

    NASA Astrophysics Data System (ADS)

    Karimi, Mohammadali

    The focus of this research is to study the thermal and structural evolution of three planetary bodies, Mars, Venus and the asteroid Vesta. The almost uniform spatial distribution of craters on the surfaces of planets makes them excellent candidates to examine the evolution of planets as a whole. By modeling the viscoelastic deformation of craters at the surface and subsurface with the Finite Element Method (FEM), this study investigated the role of lower crustal flow in crater relaxation, and since lower crustal flow is sensitive to the thermal state, it serves as a probe into the thermal evolution of planets. The thermal history of Mars was explored by modeling the evolution of large craters and Quasi-Circular Depressions (QCDs) in the Southern Highlands and Northern Lowlands, respectively. Because of the spatial distribution of craters, this study yielded a thermal map for Mars that is more complete and less biased regionally relative to other studies. The results revealed a higher background heat flux for the Northern Lowlands relative to the Southern Highlands during the most ancient Noachian epoch, which suggests a thermal fingerprint to whatever process that formed the hemispherical crustal dichotomy, the oldest and most prominent geomorphic feature on Mars. Next, the largest crater on the surface of Venus, Mead, also appears to have undergone significant lower crustal flow. Modeling the viscoelastic deformation of Mead puts constraints on the thermal state of our sister planet in the vicinity of the basin. The background heat flux of Venus estimated here is higher than globally average values predicted by previous thermal models. Moreover, this study showed that Venus's crust and mantle seem to be dry relative to those of the Earth. Last, modeling the evolution of two large craters in the south polar region of Vesta (Rheasilvia and Veneneia) showed that the shallow topography and large central peak of these craters are likely the products of a planetary

  1. Study on the Response Coefficient of Setback Structures Compared to Regular Moment Frame Structures

    SciTech Connect

    Mirghaderi, S. Rasoul; Khafaf, Bardia; Epackachi, Siamak

    2008-07-08

    In design practice of many countries, seismic analysis and proportioning of structures are usually based upon linear elastic analysis due to reduced seismic forces by response coefficient; R. Setback structures are one of the most popular shapes of the constructed buildings. In setback structures, the shape and proportions of the building have a major effect on distribution of earthquake forces as they work their way through the building. On the other hand, geometric configuration has a profound effect on the structural-dynamic response of a building. Therefore, when a building has irregular features, such as asymmetric in height or vertical discontinuity, the traditional assumptions used in development of seismic criteria for regular buildings may not be applicable. Inelastic seismic behavior of these types of structures seems to be quite different from the regular steel moment resisting structures in which the overall ductility is localized at beam-ends.In order to investigate the seismic behavior and estimate the Response Coefficient of those structures, nonlinear static analysis (pushover) are used for three categories of setback structures namely low rise, medium rise and high rise buildings with different setbacks in their height. The Response Coefficient are calculated and compared with those taken from regular type of moment frame structures.

  2. Structural, optical and electronic structure studies of Al doped ZnO thin films

    NASA Astrophysics Data System (ADS)

    Devi, Vanita; Kumar, Manish; Shukla, D. K.; Choudhary, R. J.; Phase, D. M.; Kumar, Ravindra; Joshi, B. C.

    2015-07-01

    Structural, optical and electronic structure of Al doped ZnO thin films grown using pulsed laser deposition on glass substrate are investigated. X-ray diffraction measurements reveal that all the films are textured along the c-axis and have wurtzite structure. Al doping in ZnO films leads to increase in grain size due to relaxation in compressive stress. Enhancement in band gap of ZnO films with the Al doping is also noticed which can be ascribed to the Brustein-Moss shift. The changes in the electronic structure caused by Al in the doped thin film samples are understood through X-ray absorption measurements.

  3. Structure of charmed baryons studied by pionic decays

    NASA Astrophysics Data System (ADS)

    Nagahiro, Hideko; Yasui, Shigehiro; Hosaka, Atsushi; Oka, Makoto; Noumi, Hiroyuki

    2017-01-01

    We investigate the decays of the charmed baryons aiming at the systematic understanding of hadron internal structures based on the quark model by paying attention to heavy quark symmetry. We evaluate the decay widths from the one-pion emission for the known excited states, Λc*(2595 ), Λc*(2625 ), Λc*(2765 ), Λc*(2880 ), and Λc*(2940 ), as well as for the ground states Σc(2455 ) and Σc*(2520 ). The decay properties of the lower excited charmed baryons are well explained, and several important predictions for higher excited baryons are given. We find that the axial-vector-type coupling of the pion to the light quarks is essential, which is expected from chiral symmetry, to reproduce the decay widths especially of the low-lying Λc* baryons. We emphasize the importance of the branching ratios of Γ (Σc*π )/Γ (Σcπ ) for the study of the nature of higher excited Λc* baryons.

  4. Further Study of Isolated Electrostatic Structures in the Solar Wind

    NASA Astrophysics Data System (ADS)

    Kellogg, P. J.

    2003-12-01

    A large number of short (sub-millisecond) waveforms has been observed by the Waves Time Domain Sampler on Wind. Similar waveforms have been analyzed by Mangeney et al (1999). They and Lacombe et al (2002) concentrated on double layer-like waveforms having a net potential change, but this study concentrates on electron hole-like waveforms with little potential change. The waveforms are compact, having Debye-length scales. They are often shorter than the X antenna, 100 m tip to tip, and this allows determination of their size and velocity. In many cases they are associated with magnetic discontinuities, and also in many cases occur in close proximity to ion acoustic wave bursts, from which they may evolve. Like the cases analyzed by Mangeney et al, they are quite weak, leading to electric fields of a few tenths of a millivolt per meter. Their structures are generally consistent with electron holes. Lacombe, C., C.Salem, A.Mangeney, D.Hubert, C.Perche, J-L.Bougeret, P.J.Kellogg, K.Goetz, J-M.Bosqued, "Evidence for the interplanetary potential? WIND observations of electrostatic fluctuations", Annales Geophysicae, 20, 609-618, 2002 Mangeney A., C.Salem, C.Lacombe, J-L.Bougeret, C.Perche, R.Manning, P.J.Kellogg, K.Goetz, S.J.Monson, J-M.Bosqued, "WIND observations of coherent electrostatic waves in the solar wind" Annales Geophysicae 17, 307-320, 1999

  5. X-ray microscopic studies of labeled nuclear cell structures

    NASA Astrophysics Data System (ADS)

    Vogt, S.; Schneider, G.; Steuernagel, A.; Lucchesi, J.; Schulze, E.; Rudolph, D.; Schmahl, G.

    2000-05-01

    In X-ray microscopy different proteins are not readily distinguishable. However, in cell biology it is often desirable to localize single proteins, e.g., inside the cell nucleus. This can be achieved by immunogold labeling. Colloidal gold conjugated antibodies are used to mark the protein specifically. With silver solution these are enlarged so as to heighten their contrast. The strong absorption of silver allows easy visualization of the label in the nuclei. In this study male specific lethal 1 protein in male Drosophila melanogaster cells was labeled. This protein forms, together with four other proteins, a complex that is associated with the male X chromosome. It regulates dosage compensation by enhancing X-linked gene transcription in males. Room temperature and cyro transmission X-ray microscopic images (taken with the Göttingen TXM at BESSY) of these labeled cells are shown. Confocal laser scan microscopy ascertains the correct identification of the label in the X-ray micrographs, and allows comparison of the structural information available from both instruments.

  6. Study of Magnetic Structure in the Solar Photosphere and Chromosphere

    NASA Technical Reports Server (NTRS)

    Noyes, Robert W.; Avrett, Eugene; Nisenson, Peter; Uitenbroek, Han; vanBallegooijen, Adriaan

    1998-01-01

    This grant funded an observational and theoretical program to study the structure and dynamics of the solar photosphere and low chromosphere, and the spectral signatures that result. The overall goal is to learn about mechanisms that cause heating of the overlying atmosphere, and produce variability of solar emission in spectral regions important for astrophysics and space physics. The program exploited two new ground-based observational capabilities: one using the Swedish Solar Telescope on La Palma for very high angular resolution observations of the photospheric intensity field (granulation) and proxies of the magnetic field (G-band images); and the other using the Near Infrared Magnetograph at the McMath-Pierce Solar Facility to map the spatial variation and dynamic behavior of the solar temperature minimum region using infrared CO lines. We have interpreted these data using a variety of theoretical and modelling approaches, some developed especially for this project. Previous annual reports cover the work done up to 31 May 1997. This final report summarizes our work for the entire period, including the period of no-cost extension from 1 June 1997 through September 30 1997. In Section 2 we discuss observations and modelling of the photospheric flowfields and their consequences for heating of the overlying atmosphere, and in Section 3 we discuss imaging spectroscopy of the CO lines at 4.67 mu.

  7. Theoretical structural and experimental vibrational study of niobyl nitrate

    NASA Astrophysics Data System (ADS)

    Castillo, M. V.; Romano, E.; Lanús, H. E.; Díaz, S. B.; Ben Altabef, A.; Brandán, S. A.

    2011-05-01

    We have prepared niobyl nitrate, Nb(NO 3) 3 and characterized it by infrared and Raman spectroscopies. The Density functional theory (DFT) has been used to study its structure and vibrational properties. We have made a comparative work for this compound to evaluate not only the best level of theory but also the best basis set to be used to reproduce the experimental wavenumbers. These calculations gave us a precise knowledge of the normal modes of vibration taking into account the type of coordination adopted by nitrate groups of this compound as monodentate and bidentate ligands. The calculated harmonic vibrational frequencies for niobyl nitrate are consistent with the experimental vibrational spectra. An assignment of the observed spectral features is proposed. The nature of the Nb sbnd O and Nb ← O bonds and the topological properties of electronic charge density in the compound were systematically and quantitatively investigated by means of Natural Bond Order (NBO) and the Bader's Atoms in Molecules theory (AIM), respectively.

  8. Study of punching shear in arctic offshore structures

    SciTech Connect

    McLean, D.I.

    1987-01-01

    Experimental and analytical studies of punching shear in reinforced and prestressed concrete slabs and shells were performed to gain an increased understanding of the mechanism of punching shear failures in offshore structures for the Arctic. The test specimens of this project were 1/6-scale models of sections of typical perimeter walls with flat and curved configurations. Shear reinforcement was provided in the specimens with headed shear bars. The main variables investigated in the program were: the amount of shear reinforcement, curvature, prestressing, and span-continuity condition. The addition of shear reinforcement resulted in significant increases in punching shear strengths, particularly in the plate specimens. The presence of curvature in the shell specimens produced large increases in punching shear strength. An apparent upper limit on punching shear strength was reached in the shell specimens with shear reinforcement whereby the concrete rather than the reinforcement controlled the failure mechanism. Effects of prestressing in the specimens were inconclusive. The single-span plate specimen was stronger than the similar three-span plate specimen.

  9. Receptor recognition mechanisms of coronaviruses: a decade of structural studies.

    PubMed

    Li, Fang

    2015-02-01

    Receptor recognition by viruses is the first and essential step of viral infections of host cells. It is an important determinant of viral host range and cross-species infection and a primary target for antiviral intervention. Coronaviruses recognize a variety of host receptors, infect many hosts, and are health threats to humans and animals. The receptor-binding S1 subunit of coronavirus spike proteins contains two distinctive domains, the N-terminal domain (S1-NTD) and the C-terminal domain (S1-CTD), both of which can function as receptor-binding domains (RBDs). S1-NTDs and S1-CTDs from three major coronavirus genera recognize at least four protein receptors and three sugar receptors and demonstrate a complex receptor recognition pattern. For example, highly similar coronavirus S1-CTDs within the same genus can recognize different receptors, whereas very different coronavirus S1-CTDs from different genera can recognize the same receptor. Moreover, coronavirus S1-NTDs can recognize either protein or sugar receptors. Structural studies in the past decade have elucidated many of the puzzles associated with coronavirus-receptor interactions. This article reviews the latest knowledge on the receptor recognition mechanisms of coronaviruses and discusses how coronaviruses have evolved their complex receptor recognition pattern. It also summarizes important principles that govern receptor recognition by viruses in general.

  10. Three new hydrochlorothiazide cocrystals: Structural analyses and solubility studies

    NASA Astrophysics Data System (ADS)

    Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Vangala, Venu R.; Ghosh, Animesh; Reddy, C. Malla

    2017-04-01

    Hydrochlorothiazide (HCT) is a diuretic BCS class IV drug with poor aqueous solubility and low permeability leading to poor oral absorption. The present work explores the cocrystallization technique to enhance the aqueous solubility of HCT. Three new cocrystals of HCT with water soluble coformers phenazine (PHEN), 4-dimethylaminopyridine (DMAP) and picolinamide (PICA) were prepared successfully by solution crystallization method and characterized by single crystal X-ray diffraction (SCXRD), powder X-ray diffraction (PXRD), fourier transform -infraredspectroscopy (FT-IR), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Structural characterization revealed that the cocrystals with PHEN, DMAP and PICA exists in P21/n, P21/c and P21/n space groups, respectively. The improved solubility of HCT-DMAP (4 fold) and HCT-PHEN (1.4 fold) cocrystals whereas decreased solubility of HCT-PICA (0.5 fold) as compared to the free drug were determined after 4 h in phosphate buffer, pH 7.4, at 25 °C by using shaking flask method. HCT-DMAP showed a significant increase in solubility than all previously reported cocrystals of HCT suggest the role of a coformer. The study demonstrates that the selection of coformer could have pronounced impact on the physicochemical properties of HCT and cocrystallization can be a promising approach to improve aqueous solubility of drugs.

  11. Structural studies of ionic liquid-modified microemulsions.

    PubMed

    Rojas, Oscar; Koetz, Joachim; Kosmella, Sabine; Tiersch, Brigitte; Wacker, Philipp; Kramer, Markus

    2009-05-15

    This work is focused on the influence of an ionic liquid (IL), i.e. ethyl-methylimidazolium hexylsulfate, on the spontaneous formation of microemulsions with ionic surfactants. The influence of the ionic liquid on structure formation in the optically clear phase region in water/toluene/pentanol mixtures in presence of the cationic surfactant CTAB was studied in more detail. The results show a significant increase of the transparent phase region by adding the ionic liquid. Conductometric investigations demonstrate that adding the ionic liquid can drastically reduce the droplet-droplet interactions in the L(2) phase. (1)H nuclear magnetic resonance ((1)H NMR) diffusion coefficient measurements in combination with dynamic light scattering measurements clearly show that inverse microemulsion droplets still exist, but the droplet size is decreased to 2 nm. A more detailed characterisation of the isotropic phase channel by means of conductivity measurements, dynamic light scattering (DLS), (1)H NMR and cryo-scanning electron microscopy (SEM), allows the identification of a bicontinuous sponge phase between the L(1) and L(2) phase. When the poly(ethyleneimine) is added, the isotropic phase range is reduced drastically, but the inverse microemulsion range still exists.

  12. Neutrino-nucleus reactions based on recent structure studies

    SciTech Connect

    Suzuki, Toshio

    2015-05-15

    Neutrino-nucleus reactions are studied with the use of new shell model Hamiltonians, which have proper tensor components in the interactions and prove to be successful in the description of Gamow-Teller (GT) strengths in nuclei. The new Hamiltonians are applied to obtain new neutrino-nucleus reaction cross sections in {sup 12}C, {sup 13}C, {sup 56}Fe and {sup 56}Ni induced by solar and supernova neutrinos. The element synthesis by neutrino processes in supernova explosions is discussed with the new cross sections. The enhancement of the production yields of {sup 7}Li, {sup 11}B and {sup 55}Mn is obtained while fragmented GT strength in {sup 56}Ni with two-peak structure is found to result in smaller e-capture rates at stellar environments. The monopole-based universal interaction with tensor force of π+ρ meson exchanges is used to evaluate GT strength in {sup 40}Ar and ν-induced reactions on {sup 40}Ar. It is found to reproduce well the experimental GT strength in {sup 40}Ar.

  13. The crystal structures of the eukaryotic chaperonin CCT reveal its functional partitioning.

    PubMed

    Kalisman, Nir; Schröder, Gunnar F; Levitt, Michael

    2013-04-02

    In eukaryotes, CCT is essential for the correct and efficient folding of many cytosolic proteins, most notably actin and tubulin. Structural studies of CCT have been hindered by the failure of standard crystallographic analysis to resolve its eight different subunit types at low resolutions. Here, we exhaustively assess the R value fit of all possible CCT models to available crystallographic data of the closed and open forms with resolutions of 3.8 Å and 5.5 Å, respectively. This unbiased analysis finds the native subunit arrangements with overwhelming significance. The resulting structures provide independent crystallographic proof of the subunit arrangement of CCT and map major asymmetrical features of the particle onto specific subunits. The actin and tubulin substrates both bind around subunit CCT6, which shows other structural anomalies. CCT is thus clearly partitioned, both functionally and evolutionary, into a substrate-binding side that is opposite to the ATP-hydrolyzing side.

  14. Semi-isometric registration of line features for flexible fitting of protein structures

    PubMed Central

    Abeysinghe, S.; Baker, M. L.; Chiu, W.; Ju, T.

    2010-01-01

    In this paper, we study a registration problem that is motivated by a practical biology problem - fitting protein structures to low-resolution density maps. We consider registration between two sets of lines features (e.g., helices in the proteins) that have undergone not a single, but multiple isometric transformations (e.g., hinge-motions). The problem is further complicated by the presence of symmetry in each set. We formulate the problem as a clique-finding problem in a product graph, and propose a heuristic solution that includes a fast clique-finding algorithm unique to the structure of this graph. When tested on a suite of real protein structures, the algorithm achieved high accuracy even for very large inputs containing hundreds of helices. PMID:21124809

  15. Finite Element Analysis of Morphing Piezoelectric Structures Studied

    NASA Technical Reports Server (NTRS)

    Lee, Ho-Jun

    2002-01-01

    The development of morphing aerospace structures that optimize their shape offers the potential to significantly improve the performance of existing airplanes. These morphing vehicles will operate with new capabilities to reduce noise, damp vibrations, manipulate flow, and monitor damage. Piezoelectric materials represent one of the popular materials currently being investigated for applications in morphing structures.

  16. Spectral structure and stability studies on microstructure-fiber continuum

    NASA Astrophysics Data System (ADS)

    Gu, Xun; Kimmel, Mark; Zeek, Erik; Shreenath, Aparna P.; Trebino, Rick P.; Windeler, Robert S.

    2003-07-01

    Although previous direct measurements of the microstructure-fiber continuum have all showed a smooth and stable spectrum, our cross-correlation frequency-resolved optical gating (XFROG) full-intensity-and-phase characterization of the continuum pulse, utilizing sum-frequency-generation with a pre-characterized reference pulse and the angle-dithered-crystal technique, indicates that fine-scale spectral structure exists on a single-shot basis, contrary to previous observations. In particular, deep and fine oscillations are found in the retrieved spectrum, and the retrieved trace contains a "measles" pattern, whereas the measured trace and the independently-measured spectrum are rather smooth. The discrepancy is shown to be the result of unstable single-shot spectral structure. Although the XFROG measurement is not able to directly measure the single-shot fine structure in the trace, the redundancy of information in FROG traces enables the retrieval algorithm to correctly recognize the existence of the spectral fine structure, and restore the structure in the retrieved trace and spectrum. Numerical simulations have supported our hypothesis, and we directly observed the fine spectral structure in single-shot measurements of the continuum spectrum and the structure was seen to be highly unstable, the continuum spectrum appearing smooth only when many shots are averaged. Despite the structure and instability in the continuum spectrum, coherence experiments also reveal that the spectral phase is rather stable, being able to produce well-defined spectral fringes across the entire continuum bandwidth.

  17. Experiment study on RC frame retrofitted by the external structure

    NASA Astrophysics Data System (ADS)

    Liu, Chunyang; Shi, Junji; Hiroshi, Kuramoto; Taguchi, Takashi; Kamiya, Takashi

    2016-09-01

    A new retrofitting method is proposed herein for reinforced concrete (RC) structures through attachment of an external structure. The external structure consists of a fiber concrete encased steel frame, connection slab and transverse beams. The external structure is connected to the existing structure through a connection slab and transverse beams. Pseudostatic experiments were carried out on one unretrofitted specimen and three retrofitted frame specimens. The characteristics, including failure mode, crack pattern, hysteresis loops behavior, relationship of strain and displacement of the concrete sla