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Sample records for unique structural properties

  1. Unique Intramolecular Electronic Communications in Mono-ferrocenylpyrimidine Derivatives: Correlation between Redox Properties and Structural Nature

    International Nuclear Information System (INIS)

    Xiang, Debo; Noel, Jerome; Shao, Huibo; Dupas, Georges; Merbouh, Nabyl; Yu, Hua-Zhong

    2015-01-01

    Highlights: • Unique intramolecular electronic communications (electron withdrawing and π-bond delocalization effects) exist in the mono-ferrocenylpyrimidine derivatives. • The redox potential shift correlates the pyrimidine ring torsion angle with the extent of electron delocalization. • The correlation between redox properties and structural nature in mono-ferrocenylpyrimidine derivatives is evident. - Abstract: The correlation between redox properties and structural nature in a complete set of mono-ferrocenylpyrimidine derivatives (2-ferrocenylpyrimidine, 2-FcPy; 4-ferrocenylpyrimidine, 4-FcPy; 5-ferrocenylpyrimidine, 5-FcPy) was evaluated by investigating the intramolecular electronic communications. Both conventional electrochemical measurements in organic solvents and thin-film voltammetric studies of these compounds were carried out. It was discovered that their formal potentials are significantly different from each other, and shift negatively in the order of 4-FcPy > 5-FcPy > 2-FcPy. This result suggests that the intramolecular electronic communication is dictated by the delocalization effect of the π-bonding systems in 2-FcPy, and that the electron-withdrawing effect of the nitrogen atoms in the pyrimidine ring plays the key role in 4-FcPy and 5-FcPy. The single crystal X-ray structure analyis and Density Functional Theory (DFT) calculation provided additional evidence (e.g., different torsion angles between the cyclopentadienyl and pyrimidine rings) to support the observed correlation between the redox properties and structural nature

  2. Probing the Unique Role of Gallium in Amorphous Oxide Semiconductors through Structure-Property Relationships

    Energy Technology Data Exchange (ETDEWEB)

    Moffitt, Stephanie L.; Zhu, Qimin; Ma, Qing; Falduto, Allison F.; Buchholz, D. Bruce; Chang, Robert P.H.; Mason, Thomas O.; Medvedeva, Julia E.; Marks, Tobin J.; Bedzyk, Michael J. (NWU); (MUST)

    2017-09-01

    This study explores the unique role of Ga in amorphous (a-) In[BOND]Ga[BOND]O oxide semiconductors through combined theory and experiment. It reveals substitutional effects that have not previously been attributed to Ga, and that are investigated by examining how Ga influences structure–property relationships in a series of pulsed laser deposited a-In[BOND]Ga[BOND]O thin films. Element-specific structural studies (X-ray absorption and anomalous scattering) show good agreement with the results of ab initio molecular dynamics simulations. This structural knowledge is used to understand the results of air-annealing and Hall effect electrical measurements. The crystallization temperature of a-IO is shown to increase by as much as 325 °C on substituting Ga for In. This increased thermal stability is understood on the basis of the large changes in local structure that Ga undergoes, as compared to In, during crystallization. Hall measurements reveal an initial sharp drop in both carrier concentration and mobility with increasing Ga incorporation, which moderates at >20 at% Ga content. This decline in both the carrier concentration and mobility with increasing Ga is attributed to dilution of the charge-carrying In[BOND]O matrix and to increased structural disorder. The latter effect saturates at high at% Ga.

  3. Exploiting Unique Structural and Functional Properties of Malarial Glycolytic Enzymes for Antimalarial Drug Development

    Directory of Open Access Journals (Sweden)

    Asrar Alam

    2014-01-01

    Full Text Available Metabolic enzymes have been known to carry out a variety of functions besides their normal housekeeping roles known as “moonlighting functions.” These functionalities arise from structural changes induced by posttranslational modifications and/or binding of interacting proteins. Glycolysis is the sole source of energy generation for malaria parasite Plasmodium falciparum, hence a potential pathway for therapeutic intervention. Crystal structures of several P. falciparum glycolytic enzymes have been solved, revealing that they exhibit unique structural differences from the respective host enzymes, which could be exploited for their selective targeting. In addition, these enzymes carry out many parasite-specific functions, which could be of potential interest to control parasite development and transmission. This review focuses on the moonlighting functions of P. falciparum glycolytic enzymes and unique structural differences and functional features of the parasite enzymes, which could be exploited for therapeutic and transmission blocking interventions against malaria.

  4. Unique Reversible Crystal-to-Crystal Phase Transition – Structural and Functional Properties of Fused Ladder Thienoarenes

    KAUST Repository

    Abe, Yuichiro

    2017-08-15

    Donor-acceptor type molecules based on fused ladder thienoarenes, indacenodithiophene (IDT) and dithienocyclopenta-thienothiophene (DTCTT), coupled with benzothiadiazole, are prepared and their solid-state structures are investigated. They display a rich variety of solid phases ranging from amorphous glass states to crystalline states, upon changes in the central aromatic core and side group structures. Most notably, the DTCTT-based derivatives showed reversible crystal-to-crystal phase transitions in heating and cooling cycles. Unlike what has been seen in π−conjugated molecules variable temperature XRD revealed that structural change occurs continuously during the transition. A columnar self-assembled structure with slip-stacked π−π interaction is proposed to be involved in the solid-state. This research provides the evidence of unique structural behavior of the DTCTT-based molecules through the detailed structural analysis. This unique structural transition paves the way for these materials to have self-healing of crystal defects, leading to improved optoelectronic properties.

  5. Unique Reversible Crystal-to-Crystal Phase Transition – Structural and Functional Properties of Fused Ladder Thienoarenes

    KAUST Repository

    Abe, Yuichiro; Savikhin, Victoria; Yin, Jun; Grimsdale, Andrew C.; Soci, Cesare; Toney, Michael F.; Lam, Yeng Ming

    2017-01-01

    Donor-acceptor type molecules based on fused ladder thienoarenes, indacenodithiophene (IDT) and dithienocyclopenta-thienothiophene (DTCTT), coupled with benzothiadiazole, are prepared and their solid-state structures are investigated. They display a rich variety of solid phases ranging from amorphous glass states to crystalline states, upon changes in the central aromatic core and side group structures. Most notably, the DTCTT-based derivatives showed reversible crystal-to-crystal phase transitions in heating and cooling cycles. Unlike what has been seen in π−conjugated molecules variable temperature XRD revealed that structural change occurs continuously during the transition. A columnar self-assembled structure with slip-stacked π−π interaction is proposed to be involved in the solid-state. This research provides the evidence of unique structural behavior of the DTCTT-based molecules through the detailed structural analysis. This unique structural transition paves the way for these materials to have self-healing of crystal defects, leading to improved optoelectronic properties.

  6. Unique C. elegans telomeric overhang structures reveal the evolutionarily conserved properties of telomeric DNA

    Czech Academy of Sciences Publication Activity Database

    Školáková, Petra; Foldynová-Trantírková, Silvie; Bednářová, Klára; Fiala, R.; Vorlíčková, Michaela; Trantírek, L.

    2015-01-01

    Roč. 43, č. 9 (2015), s. 4733-4745 ISSN 0305-1048 R&D Projects: GA ČR(CZ) GA13-28310S; GA ČR(CZ) GAP205/12/0466 Institutional support: RVO:68081707 ; RVO:60077344 Keywords : NUCLEASE HYPERSENSITIVE ELEMENT * G-QUADRUPLEX STRUCTURES * I-MOTIF Subject RIV: BO - Biophysics Impact factor: 9.202, year: 2015

  7. A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties*

    Science.gov (United States)

    Campos, Bruna Medeia; Alvarez, Thabata Maria; Zanphorlin, Letícia Maria; Ematsu, Gabriela Cristina; Barud, Hernane; Polikarpov, Igor; Ruller, Roberto; Gilbert, Harry J.; Zeri, Ana Carolina de Mattos; Squina, Fabio Marcio

    2016-01-01

    Carbohydrate-binding modules (CBMs) are appended to glycoside hydrolases and can contribute to the degradation of complex recalcitrant substrates such as the plant cell wall. For application in bioethanol production, novel enzymes with high catalytic activity against recalcitrant lignocellulosic material are being explored and developed. In this work, we report the functional and structural study of CBM_E1, which was discovered through a metagenomics approach and is the founding member of a novel CBM family, CBM81. CBM_E1, which is linked to an endoglucanase, displayed affinity for mixed linked β1,3-β1,4-glucans, xyloglucan, Avicel, and cellooligosaccharides. The crystal structure of CBM_E1 in complex with cellopentaose displayed a canonical β-sandwich fold comprising two β-sheets. The planar ligand binding site, observed in a parallel orientation with the β-strands, is a typical feature of type A CBMs, although the expected affinity for bacterial crystalline cellulose was not detected. Conversely, the binding to soluble glucans was enthalpically driven, which is typical of type B modules. These unique properties of CBM_E1 are at the interface between type A and type B CBMs. PMID:27621314

  8. Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.

    Science.gov (United States)

    Lubkowski, Jacek; Durbin, Sarah V; Silva, Mariana C C; Farnsworth, David; Gildersleeve, Jeffrey C; Oliva, Maria Luiza V; Wlodawer, Alexander

    2017-02-01

    Lectins have been used at length for basic research and clinical applications. New insights into the molecular recognition properties enhance our basic understanding of carbohydrate-protein interactions and aid in the design/development of new lectins. In this study, we used a combination of cell-based assays, glycan microarrays, and X-ray crystallography to evaluate the structure and function of the recombinant Bauhinia forficata lectin (BfL). The lectin was shown to be cytostatic for several cancer cell lines included in the NCI-60 panel; in particular, it inhibited growth of melanoma cancer cells (LOX IMVI) by over 95%. BfL is dimeric in solution and highly specific for binding of oligosaccharides and glycopeptides with terminal N-acetylgalactosamine (GalNAc). BfL was found to have especially strong binding (apparent K d  = 0.5-1.0 nm) to the tumor-associated Tn antigen. High-resolution crystal structures were determined for the ligand-free lectin, as well as for its complexes with three Tn glycopeptides, globotetraose, and the blood group A antigen. Extensive analysis of the eight crystal structures and comparison to structures of related lectins revealed several unique features of GalNAc recognition. Of special note, the carboxylate group of Glu126, lining the glycan-binding pocket, forms H-bonds with both the N-acetyl of GalNAc and the peptide amido group of Tn antigens. Stabilization provided by Glu126 is described here for the first time for any GalNAc-specific lectin. Taken together, the results provide new insights into the molecular recognition of carbohydrates and provide a structural understanding that will enable rational engineering of BfL for a variety of applications. Structural data are available in the PDB under the accession numbers 5T50, 5T52, 5T55, 5T54, 5T5L, 5T5J, 5T5P, and 5T5O. © 2016 Federation of European Biochemical Societies.

  9. A New Star-shaped Carbazole Derivative with Polyhedral Oligomeric Silsesquioxane Core: Crystal Structure and Unique Photoluminescence Property.

    Science.gov (United States)

    Xu, Zixuan; Yu, Tianzhi; Zhao, Yuling; Zhang, Hui; Zhao, Guoyun; Li, Jianfeng; Chai, Lanqin

    2016-01-01

    A new inorganic–organic hybrid material based on polyhedral oligomeric silsesquioxane (POSS) capped with carbazolyl substituents, octakis[3-(carbazol-9-yl)propyldimethylsiloxy]-silsesquioxane (POSS-8Cz), was successfully synthesized and characterized. The X-ray crystal structure of POSS-8Cz were described. The photophysical properties of POSS-8Cz were investigated by using UV–vis,photoluminescence spectroscopic analysis. The hybrid material exhibits blue emission in the solution and the solid film.The morphology and thermal stablity properties were measured by X-ray diffraction (XRD) and TG-DTA analysis.

  10. Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties.

    Science.gov (United States)

    Fuchs, Adrian C D; Maldoner, Lorena; Hipp, Katharina; Hartmann, Marcus D; Martin, Jörg

    2018-01-19

    Eukaryotic and archaeal proteasomes are paradigms for self-compartmentalizing proteases. To a large extent, their function requires interplay with hexameric ATPases associated with diverse cellular activities (AAA+) that act as substrate unfoldases. Bacteria have various types of self-compartmentalizing proteases; in addition to the proteasome itself, these include the proteasome homolog HslV, which functions together with the AAA+ HslU; the ClpP protease with its partner AAA+ ClpX; and Anbu, a recently characterized ancestral proteasome variant. Previous bioinformatic analysis has revealed a novel bacterial member of the proteasome family Betaproteobacteria proteasome homolog (BPH). Using cluster analysis, we here affirmed that BPH evolutionarily descends from HslV. Crystal structures of the Thiobacillus denitrificans and Cupriavidus metallidurans BPHs disclosed a homo-oligomeric double-ring architecture in which the active sites face the interior of the cylinder. Using small-angle X-ray scattering (SAXS) and electron microscopy averaging, we found that BPH forms tetradecamers in solution, unlike the dodecamers seen in HslV. Although the highly acidic inner surface of BPH was in striking contrast to the cavity characteristics of the proteasome and HslV, a classical proteasomal reaction mechanism could be inferred from the covalent binding of the proteasome-specific inhibitor epoxomicin to BPH. A ligand-bound structure implied that the elongated BPH inner pore loop may be involved in substrate recognition. The apparent lack of a partner unfoldase and other unique features, such as Ser replacing Thr as the catalytic residue in certain BPH subfamilies, suggest a proteolytic function for BPH distinct from those of known bacterial self-compartmentalizing proteases. © 2018 by The American Society for Biochemistry and Molecular Biology, Inc.

  11. Unique properties of Drosophila spermatocyte primary cilia

    Directory of Open Access Journals (Sweden)

    Maria Giovanna Riparbelli

    2013-09-01

    The primary cilium is an essential organelle required for animal development and adult homeostasis that is found on most animal cells. The primary cilium contains a microtubule-based axoneme cytoskeleton that typically grows from the mother centriole in G0/G1 phase of the cell cycle as a membrane-bound compartment that protrudes from the cell surface. A unique system of bidirectional transport, intraflagellar transport (IFT, maintains the structure and function of cilia. While the axoneme is dynamic, growing and shrinking at its tip, at the same time it is very stable to the effects of microtubule-targeting drugs. The primary cilia found on Drosophila spermatocytes diverge from the general rules of primary cilium biology in several respects. Among these unique attributes, spermatocyte cilia assemble from all four centrioles in an IFT-independent manner in G2 phase, and persist continuously through two cell divisions. Here, we show that Drosophila spermatocyte primary cilia are extremely sensitive to microtubule-targeting drugs, unlike their mammalian counterparts. Spermatocyte cilia and their axonemes fail to assemble or be maintained upon nocodazole treatment, while centriole replication appears unperturbed. On the other hand, paclitaxel (Taxol, a microtubule-stabilizing drug, disrupted transition zone assembly and anchoring to the plasma membrane while causing spermatocyte primary cilia to grow extensively long during the assembly/elongation phase, but did not overtly affect the centrioles. However, once assembled to their mature length, spermatocyte cilia appeared unaffected by Taxol. The effects of these drugs on axoneme dynamics further demonstrate that spermatocyte primary cilia are endowed with unique assembly properties.

  12. Unique Optoelectronic Structure and Photoreduction Properties of Sulfur-Doped Lead Chromates Explaining Their Instability in Paintings.

    Science.gov (United States)

    Rahemi, Vanoushe; Sarmadian, Nasrin; Anaf, Willemien; Janssens, Koen; Lamoen, Dirk; Partoens, Bart; De Wael, Karolien

    2017-03-21

    Chrome yellow refers to a group of synthetic inorganic pigments that became popular as an artist's material from the second quarter of the 19th century. The color of the pigment, in which the chromate ion acts as a chromophore, is related to its chemical composition (PbCr 1-x S x O 4 , with 0 ≤ x ≤ 0.8) and crystalline structure (monoclinic/orthorhombic). Their shades range from the yellow-orange to the paler yellow tones with increasing sulfate amount. These pigments show remarkable signs of degradation after limited time periods. Pure PbCrO 4 (crocoite in its natural form) has a deep yellow color and is relatively stable, while the coprecipitate with lead sulfate (PbCr 1-x S x O 4 ) has a paler shade and seems to degrade faster. This degradation is assumed to be related to the reduction of Cr(VI) to Cr(III). We show that, when the the sulfur(S)-content in chrome yellow increases, the band gap increases. Typically, when increasing the band gap, one might assume that a decrease in photoactivity is the result. However, the photoactivity relative to the Cr content and, thus, Cr reduction of sulfur-rich PbCr 1-x S x O 4 is found to be much higher compared to the sulfur-poor or nondoped lead chromates. This discrepancy can be explained by the evolution of the crystal and electronic structure as a function of the sulfur content: first-principles density functional theory calculations show that both the absorption coefficient and reflection coefficients of the lead chromates change as a result of the sulfate doping in such a way that the generation of electron-hole pairs under illumination relative to the total Cr content increases. These changes in the material properties explain why paler shade yellow colors of this pigment are more prone to discoloration. The electronic structure calculations also demonstrate that lead chromate and its coprecipitates are p-type semiconductors, which explains the observed reduction reaction. Because understanding this phenomenon is

  13. Unique microstructure and excellent mechanical properties of ADI

    Directory of Open Access Journals (Sweden)

    Jincheng Liu

    2006-11-01

    Full Text Available Amongst the cast iron family, ADI has a unique microstructure and an excellent, optimised combination of mechanical properties. The main microstructure of ADI is ausferrite, which is a mixture ofextremely fine acicular ferrite and stable, high carbon austenite. There are two types of austenite in ADI:(1 the coarser and more equiaxed blocks of austenite between non-parallel acicular structures, which exist mainly in the last solidified area, and (2 the thin films of ustenite between the individual ferriteplatelets in the acicular structure. It is this unique microstructure, which gives ADI its excellent static and dynamic properties, and good low temperature impact toughness. The effect of microstructure on the mechanical properties is explained in more detail by examining the microstructure at the atomic scale. Considering the nanometer grain sizes, the unique microstructure, the excellent mechanical properties,good castability, (which enables near net shape components to be produced economically and in large volumes, and the fact that it can be 100% recycled, it is not overemphasized to call ADI a high-tech,nanometer and “green” material. ADI still has the potential to be further improved and its production and the number of applications for ADI will continue to grow, driven by the resultant cost savings over alternative materials.

  14. Robust diamond meshes with unique wettability properties.

    Science.gov (United States)

    Yang, Yizhou; Li, Hongdong; Cheng, Shaoheng; Zou, Guangtian; Wang, Chuanxi; Lin, Quan

    2014-03-18

    Robust diamond meshes with excellent superhydrophobic and superoleophilic properties have been fabricated. Superhydrophobicity is observed for water with varying pH from 1 to 14 with good recyclability. Reversible superhydrophobicity and hydrophilicity can be easily controlled. The diamond meshes show highly efficient water-oil separation and water pH droplet transference.

  15. Materials by design--exploiting the unique properties of pulsed laser deposition for the synthesis of novel hard materials and structures

    International Nuclear Information System (INIS)

    Willmott, P.R.; Spillmann, H.

    2002-01-01

    Novel multilayer thin film structures with an (A-B-C-B) four-sublayer periodicity were synthesized using pulsed reactive crossed-beam laser ablation. The layers were based on transition metal carbonitrides in which one sublayer (A=TiC x N 1-x ) was optimized for its high hardness, another (C=ZrC x N 1-x ) for its low frictional properties, and a third (B=VC x N 1-x ) which acted as a barrier to dislocation propagation. Control of growth and stoichiometry was facilitated by using thermally stable gases as sources for the carbon and nitrogen which were activated by collisions with the ablation plasma. It was discovered that the ablation yields of Ti, V, and Zr were almost identical, so that the sublayer thickness was directly proportional to the number of ablated shots per sublayer metal. The four-sublayer structures were harder (H-bar=35 GPa) than corresponding bilayer structures (H-bar=30 GPa) in which the VC x N 1-x sublayers were missing. Further improvements are expected by optimizing the sublayer ratios and the absolute period thickness

  16. Ligand design for alkali-metal-templated self-assembly of unique high-nuclearity CuII aggregates with diverse coordination cage units: crystal structures and properties.

    Science.gov (United States)

    Du, Miao; Bu, Xian-He; Guo, Ya-Mei; Ribas, Joan

    2004-03-19

    The construction of two unique, high-nuclearity Cu(II) supramolecular aggregates with tetrahedral or octahedral cage units, [(mu(3)-Cl)[Li subset Cu(4)(mu-L(1))(3)](3)](ClO(4))(8)(H(2)O)(4.5) (1) and [[Na(2) subset Cu(12)(mu-L(2))(8)(mu-Cl)(4)](ClO(4))(8)(H(2)O)(10)(H(3)O(+))(2)](infinity) (2) by alkali-metal-templated (Li(+) or Na(+)) self-assembly, was achieved by the use of two newly designed carboxylic-functionalized diazamesocyclic ligands, N,N'-bis(3-propionyloxy)-1,4-diazacycloheptane (H(2)L(1)) or 1,5-diazacyclooctane-N,N'-diacetate acid (H(2)L(2)). Complex 1 crystallizes in the trigonal R3c space group (a = b = 20.866(3), c = 126.26(4) A and Z = 12), and 2 in the triclinic P1 space group (a = 13.632(4), b = 14.754(4), c = 19.517(6) A, alpha = 99.836(6), beta = 95.793(5), gamma = 116.124(5) degrees and Z = 1). By subtle variation of the ligand structures and the alkali-metal templates, different polymeric motifs were obtained: a dodecanuclear architecture 1 consisting of three Cu(4) tetrahedral cage units with a Li(+) template, and a supramolecular chain 2 consisting of two crystallographically nonequivalent octahedral Cu(6) polyhedra with a Na(+) template. The effects of ligand functionality and alkali metal template ions on the self-assembly processes of both coordination supramolecular aggregates, and their magnetic behaviors are discussed in detail.

  17. Preparation, structure, and unique redox properties of mono-, bis-, and Tris(diarylmethylene)-1,3,5-trithianes and related compounds

    Science.gov (United States)

    Suzuki; Yoshino; Nishida; Ohkita; Tsuji

    2000-09-08

    A series of 1,3,5-trithianes 1-3 having diarylmethylene units were designed as novel electron donors giving highly colored cationic species upon oxidation. They were prepared along with the dithiane and dithiazine derivatives 4-6 by the reactions of lithiated heterocycles with diaryl ketones followed by dehydration. Voltammetric analyses indicate that a large structural change and/or transannular bonding are induced during their electrochemical oxidation. Mono(diarylmethylene) derivative 1a exhibits electrochromism with vivid change in color from faintly yellow to deep blue with concomitant rotation around the exocyclic bond. Both of the strongly colored salts obtained upon oxidation of 2,4-bis- and 2,4,6-tris(diarylmethylene)-1,3,5-trithianes (2aa and 3) consist of the dications with a 1,2,4-trithiane ring, suggesting the easy skeletal rearrangement of the transannular dications with a trithiabicylo[3.1.0]hexane ring. Upon reduction of these salts were obtained bright yellow 12 and 13, respectively, with high electron-donating properties due to the tetraarylbutadiene-type conjugation, thus giving another class of electrochromic compounds.

  18. Unique structural features facilitate lizard tail autotomy.

    Science.gov (United States)

    Sanggaard, Kristian W; Danielsen, Carl Chr; Wogensen, Lise; Vinding, Mads S; Rydtoft, Louise M; Mortensen, Martin B; Karring, Henrik; Nielsen, Niels Chr; Wang, Tobias; Thøgersen, Ida B; Enghild, Jan J

    2012-01-01

    Autotomy refers to the voluntary shedding of a body part; a renowned example is tail loss among lizards as a response to attempted predation. Although many aspects of lizard tail autotomy have been studied, the detailed morphology and mechanism remains unclear. In the present study, we showed that tail shedding by the Tokay gecko (Gekko gecko) and the associated extracellular matrix (ECM) rupture were independent of proteolysis. Instead, lizard caudal autotomy relied on biological adhesion facilitated by surface microstructures. Results based on bio-imaging techniques demonstrated that the tail of Gekko gecko was pre-severed at distinct sites and that its structural integrity depended on the adhesion between these segments.

  19. Unique structural features facilitate lizard tail autotomy.

    Directory of Open Access Journals (Sweden)

    Kristian W Sanggaard

    Full Text Available Autotomy refers to the voluntary shedding of a body part; a renowned example is tail loss among lizards as a response to attempted predation. Although many aspects of lizard tail autotomy have been studied, the detailed morphology and mechanism remains unclear. In the present study, we showed that tail shedding by the Tokay gecko (Gekko gecko and the associated extracellular matrix (ECM rupture were independent of proteolysis. Instead, lizard caudal autotomy relied on biological adhesion facilitated by surface microstructures. Results based on bio-imaging techniques demonstrated that the tail of Gekko gecko was pre-severed at distinct sites and that its structural integrity depended on the adhesion between these segments.

  20. The Mysteries of Diamonds: Bizarre History, Amazing Properties, Unique Applications

    International Nuclear Information System (INIS)

    Kagan, Harris

    2008-01-01

    Diamonds have been a prized material throughout history. They are scarce and beautiful, wars have been fought over them, and they remain today a symbol of wealth and power. Diamonds also have exceptional physical properties which can lead to unique applications in science. There are now techniques to artificially synthesize diamonds of extraordinarily high quality. In this talk, Professor Kagan will discuss the history of diamonds, their bizarre properties, and their manufacture and use for 21st century science.

  1. The Mysteries of Diamonds: Bizarre History, Amazing Properties, Unique Applications

    Energy Technology Data Exchange (ETDEWEB)

    Kagan, Harris (Ohio State University)

    2008-06-24

    Diamonds have been a prized material throughout history. They are scarce and beautiful, wars have been fought over them, and they remain today a symbol of wealth and power. Diamonds also have exceptional physical properties which can lead to unique applications in science. There are now techniques to artificially synthesize diamonds of extraordinarily high quality. In this talk, Professor Kagan will discuss the history of diamonds, their bizarre properties, and their manufacture and use for 21st century science.

  2. Building unique surface structure on aramid fibers through a green layer-by-layer self-assembly technique to develop new high performance fibers with greatly improved surface activity, thermal resistance, mechanical properties and UV resistance

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Lifang; Yuan, Li; Guan, Qingbao; Gu, Aijuan, E-mail: ajgu@suda.edu.cn; Liang, Guozheng, E-mail: lgzheng@suda.edu.cn

    2017-07-31

    Highlights: • A green technology is setup to build unique surface structure on aramid fiber (AF). • The method is layer-by-layer self-assembling SiO{sub 2} and layered double hydroxide. • The surface of AF is adjustable by controlling the self-assembly cycle number. • New AF has excellent surface activity, anti-UV, thermal and mechanical properties. • The origin behind attractive performances of new AFs was intensively studied. - Abstract: Combining green preparation and high performance is becoming the direction of sustainable development of materials. How to simultaneously overcome the two bottlenecks (poor surface activity and UV resistance) of aramid fibers (AFs) while improving thermal and mechanical properties through a green process is still an interesting issue with big challenge. Herein, new AFs (BL-AFs) were prepared by alternately self-assembling SiO{sub 2} and MgAlFe layered double hydroxide (LDH) on surfaces of AFs, successively, through a green layer-by-layer (LBL) self-assembly technique without using high temperature and organic solvent. The structures and properties of BL-AFs were systematically studied, which are controllable by adjusting the number of self-assembly cycle. The new fibers with three or more self-assembly cycles have remarkably improved surface activity, thermal resistance, mechanical properties and UV resistance compared with AFs. Typically, with three self-assembly cycles, the initial degradation temperature and char yield of the new fiber (3BL-AF) are as high as 552.9 °C and 81.2%, about 92 °C and 25.2% higher than those of AF, respectively; after 168 h-UV irradiation, the retention of tensile performances of 3BL-AF fiber is as high as 91–95%, about 29–14% higher than that of AF, showing the best overall performances among all modified AFs prepared using a green technique reported so far. The origin behind the attractive performances of BL-AFs is revealed through correlating with structures of original and

  3. Unique molecular properties of superoxide dismutase from teleost fish skin.

    Science.gov (United States)

    Nakano, T; Sato, M; Takeuchi, M

    1995-02-27

    A unique Cu,Zn-SOD was found and isolated from plaice Paralichthys olivaceus skin. Surprisingly, the properties of purified fish skin SOD were very different from those of SOD from other sources reported so far. The purified SOD was composed of four same subunits of 16 kDa and the molecular weight of the native SOD was found to be around 65 kDa. The dominant amino acids of the SOD were Ser, Thr, Pro and Glu. Above 70 degrees C, thermostability of the SOD was much lower than that of bovine erythrocyte Cu,Zn-SOD.

  4. Anaerobic Ammonium-Oxidizing Bacteria: Unique Microorganisms with Exceptional Properties

    Science.gov (United States)

    Jetten, Mike S. M.

    2012-01-01

    Summary: Anaerobic ammonium-oxidizing (anammox) bacteria defy many microbiological concepts and share numerous properties with both eukaryotes and archaea. Among their most intriguing characteristics are their compartmentalized cell plan and archaeon-like cell wall. Here we review our current knowledge about anammox cell biology. The anammox cell is divided into three separate compartments by bilayer membranes. The anammox cell consists of (from outside to inside) the cell wall, paryphoplasm, riboplasm, and anammoxosome. Not much is known about the composition or function of both the anammox cell wall and the paryphoplasm compartment. The cell wall is proposed to be proteinaceous and to lack both peptidoglycan and an outer membrane typical of Gram-negative bacteria. The function of the paryphoplasm is unknown, but it contains the cell division ring. The riboplasm resembles the standard cytoplasmic compartment of other bacteria; it contains ribosomes and the nucleoid. The anammoxosome occupies most of the cell volume and is a so-called “prokaryotic organelle” analogous to the eukaryotic mitochondrion. This is the site where the anammox reaction takes place, coupled over the curved anammoxosome membrane, possibly giving rise to a proton motive force and subsequent ATP synthesis. With these unique properties, anammox bacteria are food for thought concerning the early evolution of the domains Bacteria, Archaea, and Eukarya. PMID:22933561

  5. Uniqueness of the joint measurement and the structure of the set of compatible quantum measurements

    Science.gov (United States)

    Guerini, Leonardo; Terra Cunha, Marcelo

    2018-04-01

    We address the problem of characterising the compatible tuples of measurements that admit a unique joint measurement. We derive a uniqueness criterion based on the method of perturbations and apply it to show that extremal points of the set of compatible tuples admit a unique joint measurement, while all tuples that admit a unique joint measurement lie in the boundary of such a set. We also provide counter-examples showing that none of these properties are both necessary and sufficient, thus completely describing the relation between the joint measurement uniqueness and the structure of the compatible set. As a by-product of our investigations, we completely characterise the extremal and boundary points of the set of general tuples of measurements and of the subset of compatible tuples.

  6. An open-framework bimetallic chalcogenide structure K3Rb3Zn4Sn3Se13 built on a unique [Zn4Sn3Se16]12- cluster: synthesis, crystal structure, ion exchange and optical properties

    International Nuclear Information System (INIS)

    Wu Min; Su Weiping; Jasutkar, Niren; Huang, Xiaoying; Li Jing

    2005-01-01

    Single crystals of K 3 Rb 3 Zn 4 Sn 3 Se 13 were synthesized by solvothermal method. The building block in this structure is a [Zn 4 Sn 3 Se 16 ] 12- cluster which consists of four ZnSe 4 and three SnSe 4 tetrahedra connected through corner-sharing of Se atoms. The 3D network contains intersecting channels running parallel to the crystallographic [2 1 1], [1-1-1] and [12-1] directions. The disordered K + and Rb + cations reside in these channels. Ion exchange of Cs + with disordered Rb + /K + ions in the structure showed a partial replacement of 15.8%. Optical diffuse reflectance experiments were carried out and gave a sharp absorption edge at 2.6 eV

  7. Understanding `galaxy groups' as a unique structure in the universe

    Science.gov (United States)

    Paul, S.; John, R. S.; Gupta, P.; Kumar, H.

    2017-10-01

    'Galaxy groups' have hardly been realized as a separate class of objects with specific characteristics in the structural hierarchy. The presumption that the self-similarity of dark matter structures is a valid prescription for the baryonic universe at all scales has rendered smaller structures undetectable by current observational facilities, leading to lesser dedicated studies on them. Some recent reports that indicate a deviation from LX-T scaling in groups compared to clusters have motivated us to study their physical properties in depth. In this article, we report the extensive study on physical properties of groups in comparison to the clusters through cosmological hydrodynamic plus N-body simulations using enzo 2.2 code. As additional physics, radiative cooling, heating due to supernova and star motions, star formation and stellar feedback have been implemented. We have produced a mock sample of 362 objects with mass ranging from 5 × 1012 M⊙ to 2.5 × 1015 M⊙. Strikingly, we have found that objects with mass below ˜8 × 1013 M⊙ do not follow any of the cluster self-similar laws in hydrostatics, not even in thermal and non-thermal energies. Two distinct scaling laws are observed to be followed with breaks at ˜8 × 1013 M⊙ for mass, ˜1 keV for temperature and ˜1 Mpc for radius. This places groups as a distinct entity in the hierarchical structures, well demarcated from clusters. This study reveals that groups are mostly far away from virialization, suggesting the need for formulating new models for deciphering their physical parameters. They are also shown to have high turbulence and more non-thermal energy stored, indicating better visibility in the non-thermal regime.

  8. Understanding 'Galaxy Groups' as a Unique Structure in the Universe

    Science.gov (United States)

    John, Reju Sam; Paul, Surajit; Gupta, Prateek; Kumar, Harish

    2017-07-01

    'Galaxy groups' have hardly been realized as a separate class of objects with specific characteristics in the structural hierarchy of the universe. The presumption that the self-similarity of dark matter structures is a valid prescription for the baryonic universe also at all scales has rendered smaller structures undetectable by current observational facilities, leading to lesser dedicated studies on them. Some recent reports on deviation of {L_x}-T scaling in groups from that of clusters have motivated us to study their physical properties in depth. In this article, we report the extensive study on physical properties of groups in comparison with clusters through cosmological hydrodynamic plus N-body simulations using ENZO 2.2 code. We have included cooling and heating physics and star formation feedback in the simulation. And produced a mock sample of 362 objects with mass ranging from 5×10^{12} M_{⊙} to 2.5×10^{15} M_{⊙}. Strikingly, we have found that objects with a mass below ˜ 8×10^{13} M_{⊙} do not follow any of the cluster self-similar laws in hydrostatics, not even in thermal and non-thermal regimes. Two distinct scaling laws are observed to be followed with breaks at ˜ 6-8× 10^{13} M_{⊙} for mass, ˜1 keV for temperature and ˜1 Mpc for radius. This places groups as a distinct entity in the hierarchical structures, well demarcated from clusters. This study reveals that groups are mostly far away from virialization, suggesting the need for formulating new models for deciphering their physical parameters. They are also shown to have high turbulence and more non-thermal energy stored, indicating better visibility in the non-thermal regime.

  9. Selenoproteins-What unique properties can arise with selenocysteine in place of cysteine?

    Science.gov (United States)

    Arnér, Elias S J

    2010-05-01

    The defining entity of a selenoprotein is the inclusion of at least one selenocysteine (Sec) residue in its sequence. Sec, the 21st naturally occurring genetically encoded amino acid, differs from its significantly more common structural analog cysteine (Cys) by the identity of a single atom: Sec contains selenium instead of the sulfur found in Cys. Selenium clearly has unique chemical properties that differ from sulfur, but more striking are perhaps the similarities between the two elements. Selenium was discovered by Jöns Jacob Berzelius, a renowned Swedish scientist instrumental in establishing the institution that would become Karolinska Institutet. Written at the occasion of the bicentennial anniversary of Karolinska Institutet, this mini review focuses on the unique selenium-derived properties that may potentially arise in a protein upon the inclusion of Sec in place of Cys. With 25 human genes encoding selenoproteins and in total several thousand selenoproteins yet described in nature, it seems likely that the presence of that single selenium atom of Sec should convey some specific feature, thereby explaining the existence of selenoproteins in spite of demanding and energetically costly Sec-specific synthesis machineries. Nonetheless, most, if not all, of the currently known selenoproteins are also found as Cys-containing non-selenoprotein orthologues in other organisms, wherefore any potentially unique properties of selenoproteins are yet a matter of debate. The pK(a) of free Sec (approximately 5.2) being significantly lower than that of free Cys (approximately 8.5) has often been proposed as one of the unique features of Sec. However, as discussed herein, this pK(a) difference between Sec and Cys can hardly provide an evolutionary pressure for maintenance of selenoproteins. Moreover, the typically 10- to 100-fold lower enzymatic efficiencies of Sec-to-Cys mutants of selenoprotein oxidoreductases, are also weak arguments for the overall existence of

  10. Unique Structural Features of Influenza Virus H15 Hemagglutinin

    Energy Technology Data Exchange (ETDEWEB)

    Tzarum, Netanel; McBride, Ryan; Nycholat, Corwin M.; Peng, Wenjie; Paulson, James C.; Wilson, Ian A. (Scripps)

    2017-04-12

    Influenza A H15 viruses are members of a subgroup (H7-H10-H15) of group 2 hemagglutinin (HA) subtypes that include H7N9 and H10N8 viruses that were isolated from humans during 2013. The isolation of avian H15 viruses is, however, quite rare and, until recently, geographically restricted to wild shorebirds and waterfowl in Australia. The HAs of H15 viruses contain an insertion in the 150-loop (loop beginning at position 150) of the receptor-binding site common to this subgroup and a unique insertion in the 260-loop compared to any other subtype. Here, we show that the H15 HA has a high preference for avian receptor analogs by glycan array analyses. The H15 HA crystal structure reveals that it is structurally closest to H7N9 HA, but the head domain of the H15 trimer is wider than all other HAs due to a tilt and opening of the HA1 subunits of the head domain. The extended 150-loop of the H15 HA retains the conserved conformation as in H7 and H10 HAs. Furthermore, the elongated 260-loop increases the exposed HA surface and can contribute to antigenic variation in H15 HAs. Since avian-origin H15 HA viruses have been shown to cause enhanced disease in mammalian models, further characterization and immune surveillance of H15 viruses are warranted.

    IMPORTANCEIn the last 2 decades, an apparent increase has been reported for cases of human infection by emerging avian influenza A virus subtypes, including H7N9 and H10N8 viruses isolated during 2013. H15 is the other member of the subgroup of influenza A virus group 2 hemagglutinins (HAs) that also include H7 and H10. H15 viruses have been restricted to Australia, but recent isolation of H15 viruses in western Siberia suggests that they could be spread more globally via the avian flyways that converge and emanate from this region. Here we report on characterization of the three-dimensional structure and receptor specificity of the H15 hemagglutinin, revealing distinct features and specificities that can

  11. Brush-Like Polymers: New Design Platforms for Soft, Dry Materials with Unique Property Relations

    Science.gov (United States)

    Daniel, William Francis McKemie, Jr.

    Elastomers represent a unique class of engineering materials due to their light weight, low cost, and desirable combination of softness (105 -107 Pa) and large extensibilities (up to 1000%). Despite these advantages, there exist applications that require many times softer modulus, greater extensibility, and stronger strain hardening for the purpose of mimicking the mechanical properties of systems such as biological tissues. Until recently, only liquid-filled gels were suitable materials for such applications, including soft robotics and implants. A considerable amount of work has been done to create gels with superior properties, but despite unique strengths they also suffer from unique weaknesses. This class of material displays fundamental limitations in the form of heterogeneous structures, solvent loss and phase transitions at extreme temperatures, and loss of liquid fraction upon high deformations. In gels the solvent fraction also introduces a large solvent/polymer interaction parameter which must be carefully considered when designing the final mechanical properties. These energetic considerations further exaggerate the capacity for inconstant mechanical properties caused by fluctuations of the solvent fraction. In order to overcome these weaknesses, a new platform for single component materials with low modulus (Standard networks have one major control factor outside of chemistry, the network stand length. Brush-like architectures are created from long strands with regularly grafted side chains creating three characteristic length scales which may be independently manipulated. In collaboration with M. Rubinstein, we have utilized bottlebrush polymer architectures (a densely grafted brush-like polymer) to experimentally verify theoretical predictions of disentangled bottlebrush melts. By attaching well-defined side chains onto long polymer backbones, individual polymer strands are separated in space (similar to dilution with solvent) accompanied by a

  12. Electrospun superhydrophobic membranes with unique structures for membrane distillation.

    Science.gov (United States)

    Liao, Yuan; Loh, Chun-Heng; Wang, Rong; Fane, Anthony G

    2014-09-24

    With modest temperature demand, low operating pressure, and high solute rejection, membrane distillation (MD) is an attractive option for desalination, waste treatment, and food and pharmaceutical processing. However, large-scale practical applications of MD are still hindered by the absence of effective membranes with high hydrophobicity, high porosity, and adequate mechanical strength, which are important properties for MD permeation fluxes, stable long-term performance, and effective packing in modules without damage. This study describes novel design strategies for highly robust superhydrophobic dual-layer membranes for MD via electrospinning. One of the newly developed membranes comprises a durable and ultrathin 3-dimensional (3D) superhydrophobic skin and porous nanofibrous support whereas another was fabricated by electrospinning 3D superhydrophobic layers on a nonwoven support. These membranes exhibit superhydrophobicity toward distilled water, salty water, oil-in-water emulsion, and beverages, which enables them to be used not only for desalination but also for other processes. The superhydrophobic dual-layer membrane #3S-N with nanofibrous support has a competitive permeation flux of 24.6 ± 1.2 kg m(-2) h(-1) in MD (feed and permeate temperate were set as 333 and 293 K, respectively) due to the higher porosity of the nanofibrous scaffold. Meanwhile, the membranes with the nonwoven support exhibit greater mechanical strength due to this support combined with better long-term performance because of the thicker 3D superhydrophobic layers. The morphology, pore size, porosity, mechanical properties, and liquid enter pressure of water of these superhydrophobic composite membranes with two different structures are reported and compared with commercial polyvinylidene fluoride membranes.

  13. Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yingjie, E-mail: yzx@ansto.gov.au [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); Bhadbhade, Mohan [Mark Wainwright Analytical Centre, University of New South Wales, Kensington, NSW 2052 (Australia); Karatchevtseva, Inna [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); Price, Jason R. [Australian Synchrotron, 800 Blackburn Road, Clayton, VIC 3168 (Australia); Liu, Hao [Centre for Clean Energy Technology, School of Chemistry and Forensic Science, University of Technology Sydney, PO Box 123, Broadway, Sydney, NSW 2007 (Australia); Zhang, Zhaoming; Kong, Linggen [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); Čejka, Jiří [Department of Mineralogy, National Museum, Václavské náměstí, 68, Prague 1, 115 79-CZ (Czech Republic); Lu, Kim; Lumpkin, Gregory R. [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia)

    2015-03-15

    Three new coordination polymers of uranium(VI) with pyromellitic acid (H{sub 4}btca) have been synthesized and structurally characterized. (ED)[(UO{sub 2})(btca)]·(DMSO)·3H{sub 2}O (1) (ED=ethylenediammonium; DMSO=dimethylsulfoxide) has a lamellar structure with intercalation of ED and DMSO. (NH{sub 4}){sub 2}[(UO{sub 2}){sub 6}O{sub 2}(OH){sub 6}(btca)]·~6H{sub 2}O (2) has a 3D framework built from 7-fold coordinated uranyl trinuclear units and btca ligands with 1D diamond-shaped channels (~8.5 Å×~8.6 Å). [(UO{sub 2}){sub 2}(H{sub 2}O)(btca)]·4H{sub 2}O (3) has a 3D network constructed by two types of 7-fold coordinated uranium polyhedron. The unique μ{sub 5}-coordination mode of btca in 3 enables the formation of 1D olive-shaped large channels (~4.5 Å×~19 Å). Vibrational modes, thermal stabilities and fluorescence properties have been investigated. - Graphical abstract: Table of content: three new uranium(VI) coordination polymers with pyromellitic acid (H{sub 4}btca) have been synthesized via room temperature and hydrothermal synthesis methods, and structurally characterized. Two to three dimensional (3D) frameworks are revealed. All 3D frameworks have unique 1D large channels. Their vibrational modes, thermal stabilities and photoluminescence properties have been investigated. - Highlights: • Three new coordination polymers of U(VI) with pyromellitic acid (H{sub 4}btca). • Structures from a 2D layer to 3D frameworks with unique 1D channels. • Unusual µ{sub 5}-(η{sub 1}:η{sub 2}:η{sub 1}:η{sub 2:}η{sub 1}) coordination mode of btca ligand. • Vibrational modes, thermal stabilities and luminescent properties reported.

  14. Unique self-assembly properties of a bridge-shaped protein dimer with quantum dots

    International Nuclear Information System (INIS)

    Wang, Jianhao; Jiang, Pengju; Gao, Liqian; Yu, Yongsheng; Lu, Yao; Qiu, Lin; Wang, Cheli; Xia, Jiang

    2013-01-01

    How protein–protein interaction affects protein–nanoparticle self-assembly is the key to the understanding of biomolecular coating of nanoparticle in biological fluids. However, the relationship between protein shape and its interaction with nanoparticles is still under-exploited because of lack of a well-conceived binding system and a method to detect the subtle change in the protein–nanoparticle assemblies. Noticing this unresolved need, we cloned and expressed a His-tagged SpeA protein that adopts a bridge-shaped dimer structure, and utilized a high-resolution capillary electrophoresis method to monitor assembly formation between the protein and quantum dots (QDs, 5 nm in diameter). We observed that the bridge-shaped structure rendered a low SpeA:QD stoichiometry at saturation. Also, close monitoring of imidazole (Im) displacement of surface-bound protein revealed a unique two-step process. High-concentration Im could displace surface-bound SpeA protein and form a transient QD–protein intermediate, through a kinetically controlled displacement process. An affinity-driven equilibrium step then followed, resulting in re-assembling of the QD–protein complex in about 1 h. Through a temporarily formed intermediate, Im causes a rearrangement of His-tagged proteins on the surface. Thus, our work showcases that the synergistic interplay between QD–His-tag interaction and protein–protein interaction can result in unique properties of protein–nanoparticle assembly for the first time

  15. Unique self-assembly properties of a bridge-shaped protein dimer with quantum dots

    Science.gov (United States)

    Wang, Jianhao; Jiang, Pengju; Gao, Liqian; Yu, Yongsheng; Lu, Yao; Qiu, Lin; Wang, Cheli; Xia, Jiang

    2013-09-01

    How protein-protein interaction affects protein-nanoparticle self-assembly is the key to the understanding of biomolecular coating of nanoparticle in biological fluids. However, the relationship between protein shape and its interaction with nanoparticles is still under-exploited because of lack of a well-conceived binding system and a method to detect the subtle change in the protein-nanoparticle assemblies. Noticing this unresolved need, we cloned and expressed a His-tagged SpeA protein that adopts a bridge-shaped dimer structure, and utilized a high-resolution capillary electrophoresis method to monitor assembly formation between the protein and quantum dots (QDs, 5 nm in diameter). We observed that the bridge-shaped structure rendered a low SpeA:QD stoichiometry at saturation. Also, close monitoring of imidazole (Im) displacement of surface-bound protein revealed a unique two-step process. High-concentration Im could displace surface-bound SpeA protein and form a transient QD-protein intermediate, through a kinetically controlled displacement process. An affinity-driven equilibrium step then followed, resulting in re-assembling of the QD-protein complex in about 1 h. Through a temporarily formed intermediate, Im causes a rearrangement of His-tagged proteins on the surface. Thus, our work showcases that the synergistic interplay between QD-His-tag interaction and protein-protein interaction can result in unique properties of protein-nanoparticle assembly for the first time.

  16. A Review on Graphene-Based Gas/Vapor Sensors with Unique Properties and Potential Applications

    Institute of Scientific and Technical Information of China (English)

    Tao Wang; Da Huang; Zhi Yang; Shusheng Xu; Guili He; Xiaolin Li; Nantao Hu; Guilin Yin; Dannong He; Liying Zhang

    2016-01-01

    Graphene-based gas/vapor sensors have attracted much attention in recent years due to their variety of structures, unique sensing performances, room-temperature working conditions, and tremendous application prospects, etc.Herein, we summarize recent advantages in graphene preparation, sensor construction, and sensing properties of various graphene-based gas/vapor sensors, such as NH3, NO2, H2, CO, SO2, H2S, as well as vapor of volatile organic compounds.The detection mechanisms pertaining to various gases are also discussed. In conclusion part, some existing problems which may hinder the sensor applications are presented. Several possible methods to solve these problems are proposed, for example, conceived solutions, hybrid nanostructures, multiple sensor arrays, and new recognition algorithm.

  17. Unique properties associated with normal martensitic transition and strain glass transition – A simulation study

    International Nuclear Information System (INIS)

    Wang, Dong; Ni, Yan; Gao, Jinghui; Zhang, Zhen; Ren, Xiaobing; Wang, Yunzhi

    2013-01-01

    Highlights: ► We model the unique properties of strain glass which is different from that of normal martensite. ► We describe the importance of point defects in the formation of strain glass and related properties. ► The role of point defect can be attributed to global transition temperature effect (GTTE) and local field effect (LFE). -- Abstract: The transition behavior and unique properties associated with normal martensitic transition and strain glass transition are investigated by computer simulations using the phase field method. The simulations are based on a physical model that assumes that point defects alter the thermodynamic stability of martensite and create local lattice distortion. The simulation results show that strain glass transition exhibits different properties from those found in normal martensitic transformations. These unique properties include diffuse scattering pattern, “smear” elastic modulus peak, disappearance of heat flow peak and non-ergodicity. These simulation predictions agree well with the experimental observations

  18. Waved graphene: Unique structure for the adsorption of small molecules

    International Nuclear Information System (INIS)

    Pan, Hui

    2017-01-01

    We propose waved graphenes for the strong adsorption of molecules and investigate their potential applications. We find that the physical adsorption of molecules on waved graphene is greatly enhanced by compression. At optimal compression, the physical adsorption energies of H_2, N_2, NO, and CO are increased by 6–9 times, and that for O_2 is more than 2 times. We show that the energy for their chemical adsorption on waved graphene decreases dramatically with the increment of compression. The energy of dissociation of H_2 on flat graphene is 1.63 eV and reduced to 0.06 eV (96% reduction) on waved graphene at a compression of 50%, respectively. The energy for chemical adsorption of O_2 on waved graphenes is extremely reduced from 0.98 eV to −0.57 eV as with compression increasing from 0 to 50%, indicating the transition of endothermic chemical adsorption to exothermic. We further show that the electronic properties of waved graphenes are modified, leading to the change of electrical characters. We see that the waved graphenes may find applications in gas storage, sensor and catalyst because of enhanced physical and chemical adsorption and the induced change of electronic properties. - Highlights: • Adsorption of small molecules on waved graphene is greatly enhanced. • Strong physical adsorption in the trough of waved graphene can be achieved by tuning the curvature. • Chemical adsorption is on the crest of waved graphene. • Exothermic dissociation of H2 and O2 can be realized on waved graphene under high compression. • Wave graphene can be candidates as catalysts and gas storage/sensor.

  19. Waved graphene: Unique structure for the adsorption of small molecules

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Hui, E-mail: huipan@umac.mo

    2017-03-01

    We propose waved graphenes for the strong adsorption of molecules and investigate their potential applications. We find that the physical adsorption of molecules on waved graphene is greatly enhanced by compression. At optimal compression, the physical adsorption energies of H{sub 2}, N{sub 2}, NO, and CO are increased by 6–9 times, and that for O{sub 2} is more than 2 times. We show that the energy for their chemical adsorption on waved graphene decreases dramatically with the increment of compression. The energy of dissociation of H{sub 2} on flat graphene is 1.63 eV and reduced to 0.06 eV (96% reduction) on waved graphene at a compression of 50%, respectively. The energy for chemical adsorption of O{sub 2} on waved graphenes is extremely reduced from 0.98 eV to −0.57 eV as with compression increasing from 0 to 50%, indicating the transition of endothermic chemical adsorption to exothermic. We further show that the electronic properties of waved graphenes are modified, leading to the change of electrical characters. We see that the waved graphenes may find applications in gas storage, sensor and catalyst because of enhanced physical and chemical adsorption and the induced change of electronic properties. - Highlights: • Adsorption of small molecules on waved graphene is greatly enhanced. • Strong physical adsorption in the trough of waved graphene can be achieved by tuning the curvature. • Chemical adsorption is on the crest of waved graphene. • Exothermic dissociation of H2 and O2 can be realized on waved graphene under high compression. • Wave graphene can be candidates as catalysts and gas storage/sensor.

  20. Structural properties of the Hugoniot curve

    International Nuclear Information System (INIS)

    Chaisse, F.

    2002-01-01

    This report is devoted to the structural properties analysis of the HUGONIOT curve, independently of the equation of state (E 0 S) display. The general properties so coming out are applied to the shock waves interacting studies. When phase transitions are present we investigate the splitting of shock waves and also the rarefaction waves. To end with, we present the shock instabilities and the non-uniqueness of solutions when specific E 0 S are present. (author)

  1. A new look at C∗-simplicity and the unique trace property of a group

    DEFF Research Database (Denmark)

    Haagerup, U.

    2016-01-01

    We characterize when the reduced C∗-algebra of a non-trivial group has unique tracial state, respectively, is simple, in terms of Dixmier-type properties of the group C∗-algebra.We also give a simple proof of the recent result by Breuillard, Kalantar, Kennedy and Ozawa that the reduced C∗-algebra...

  2. Effects of uniquely processed cowpea and plantain flours on wheat bread properties

    Science.gov (United States)

    The effect of incorporating uniquely processed whole-seed cowpeas or plantain flours at 10 or 20 g/100 g in all-purpose flour on paste viscosity and bread-baking properties in model bread was determined. Flours from plantains processed as follows: unblanched plantains dried at 60 degrees C (PLC), so...

  3. Structure determination of human Lck unique and SH3 domains by nuclear magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Willbold Dieter

    2003-05-01

    Full Text Available Abstract Background Protein tyrosine kinases are involved in signal transduction pathways that regulate cell growth, differentiation, activation and transformation. Human lymphocyte specific kinase (Lck is a 56 kDa protein involved in T-cell- and IL2-receptor signaling. Three-dimensional structures are known for SH3, SH2 and kinase domains of Lck as well as for other tyrosine kinases. No structure is known for the unique domain of any Src-type tyrosine kinase. Results Lck(1–120 comprising unique and SH3 domains was structurally investigated by nuclear magnetic resonance spectroscopy. We found the unique domain, in contrast to the SH3 part, to have basically no defined structural elements. The solution structure of the SH3 part could be determined with very high precision. It does not show significant differences to Lck SH3 in the absence of the unique domain. Minor differences were observed to the X-ray structure of Lck SH3. Conclusion The unique domain of Lck does not contain any defined structure elements in the absence of ligands and membranes. Presence of the unique domain is not relevant to the three-dimensional structure of the Lck SH3 domain.

  4. Unique functional properties of somatostatin-expressing GABAergic neurons in mouse barrel cortex.

    NARCIS (Netherlands)

    Gentet, L.J.; Kremer, Y.; Taniguchi, H.; Huang, Z.J.; Staiger, J.F.; Petersen, C.C.H.

    2012-01-01

    Neocortical GABAergic neurons have diverse molecular, structural and electrophysiological features, but the functional correlates of this diversity are largely unknown. We found unique membrane potential dynamics of somatostatin-expressing (SOM) neurons in layer 2/3 of the primary somatosensory

  5. Elemental mercury: Its unique properties affect its behavior and fate in the environment

    International Nuclear Information System (INIS)

    Gonzalez-Raymat, Hansell; Liu, Guangliang; Liriano, Carolina; Li, Yanbin; Yin, Yongguang; Shi, Jianbo; Jiang, Guibin; Cai, Yong

    2017-01-01

    Elemental mercury (Hg 0 ) has different behavior in the environment compared to other pollutants due to its unique properties. It can remain in the atmosphere for long periods of time and so can travel long distances. Through air-surface (e.g., vegetation or ocean) exchange (dry deposition), Hg 0 can enter terrestrial and aquatic systems where it can be converted into other Hg species. Despite being ubiquitous and playing a key role in Hg biogeochemical cycling, Hg 0 behavior in the environment is not well understood. The objective of this review is to provide a better understanding of how the unique physicochemical properties of Hg 0 affects its cycling and chemical transformations in different environmental compartments. The first part focuses on the fundamental chemistry of Hg 0 , addressing why Hg 0 is liquid at room temperature and the formation of amalgam, Hg halide, and Hg chalcogenides. The following sections discuss the long-range transport of Hg 0 as well as its redistribution in the atmosphere, aquatic and terrestrial systems, in particular, on the sorption/desorption processes that occur in each environmental compartment as well as the involvement of Hg 0 in chemical transformation processes driven by photochemical, abiotic, and biotic reactions. - Highlights: • Unique property of Hg 0 make it to behave differently with other toxic metals. • Hg 0 is considered the only global metal pollutant due to its uniqueness. • Hg 0 can be easily transformed and efficiently redistributed in the environments. - A better understanding of the properties and behavior of Hg 0 is the key to elucidate the biogeochemical cycling of mercury, a global pollutant in the environment.

  6. Exploitation of Unique Properties of Zeolites in the Development of Gas Sensors

    Directory of Open Access Journals (Sweden)

    Prabir K. Dutta

    2012-04-01

    Full Text Available The unique properties of microporous zeolites, including ion-exchange properties, adsorption, molecular sieving, catalysis, conductivity have been exploited in improving the performance of gas sensors. Zeolites have been employed as physical and chemical filters to improve the sensitivity and selectivity of gas sensors. In addition, direct interaction of gas molecules with the extraframework cations in the nanoconfined space of zeolites has been explored as a basis for developing new impedance-type gas/vapor sensors. In this review, we summarize how these properties of zeolites have been used to develop new sensing paradigms. There is a considerable breadth of transduction processes that have been used for zeolite incorporated sensors, including frequency measurements, optical and the entire gamut of electrochemical measurements. It is clear from the published literature that zeolites provide a route to enhance sensor performance, and it is expected that commercial manifestation of some of the approaches discussed here will take place. The future of zeolite-based sensors will continue to exploit its unique properties and use of other microporous frameworks, including metal organic frameworks. Zeolite composites with electronic materials, including metals will lead to new paradigms in sensing. Use of nano-sized zeolite crystals and zeolite membranes will enhance sensor properties and make possible new routes of miniaturized sensors.

  7. Porous Materials - Structure and Properties

    DEFF Research Database (Denmark)

    Nielsen, Anders

    1997-01-01

    The paper presents some viewpoints on the description of the pore structure and the modelling of the properties of the porous building materials. Two examples are given , where it has been possible to connect the pore structure to the properties: Shrinkage of autoclaved aerated concrete...

  8. Structural Properties of Ferroelectric Perovskites

    National Research Council Canada - National Science Library

    Vanderbilt, David

    1998-01-01

    Under this research grant, we carried out realistic first-principles computer calculations of the ground-state and finite-temperature structural and dielectric properties of cubic perovskite materials...

  9. Weak unique continuation property and a related inverse source problem for time-fractional diffusion-advection equations

    Science.gov (United States)

    Jiang, Daijun; Li, Zhiyuan; Liu, Yikan; Yamamoto, Masahiro

    2017-05-01

    In this paper, we first establish a weak unique continuation property for time-fractional diffusion-advection equations. The proof is mainly based on the Laplace transform and the unique continuation properties for elliptic and parabolic equations. The result is weaker than its parabolic counterpart in the sense that we additionally impose the homogeneous boundary condition. As a direct application, we prove the uniqueness for an inverse problem on determining the spatial component in the source term by interior measurements. Numerically, we reformulate our inverse source problem as an optimization problem, and propose an iterative thresholding algorithm. Finally, several numerical experiments are presented to show the accuracy and efficiency of the algorithm.

  10. Curcumolide, a unique sesquiterpenoid with anti-inflammatory properties from Curcuma wenyujin.

    Science.gov (United States)

    Dong, Jianyong; Shao, Weiwei; Yan, Pengcheng; Cai, Xiaoqing; Fang, Lianglian; Zhao, Xiaowei; Lin, Weiwei; Cai, Yuan

    2015-01-15

    Curcumolide, a novel sesquiterpenoid with a unique 5/6/5 tricyclic skeleton, was isolated from Curcuma wenyujin. The structure and absolute configuration were elucidated by extensive NMR, ECD data analysis, and a single-crystal X-ray study. This molecule exhibited significant anti-inflammatory effects in LPS-induced RAW 264.7 macrophages. It suppressed LPS-induced NF-κB activation, including the nuclear translocation and DNA binding activity of NF-κB, and decreased tumor necrosis factor-α (TNF-α), interleukin-6 (IL-6), interleukin-1β (IL-1β), nitric oxide (NO) and reactive oxygen species (ROS) production. Therefore, Curcumolide may have therapeutic potential for treating inflammatory diseases by inhibiting NF-κB activation and pro-inflammatory mediator production. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. Spider Silk Violin Strings with a Unique Packing Structure Generate a Soft and Profound Timbre

    Science.gov (United States)

    Osaki, Shigeyoshi

    2012-04-01

    We overcome the difficulties in pulling long draglines from spiders, twist bundles of dragline filaments, and succeed in preparing violin strings. The twisting is found to change the cross section shapes of filaments from circular to polygonal and to optimize the packing structure with no openings among filaments providing mechanically strong and elastic strings. The spider string signal peaks of overtones for the violin are relatively large at high frequencies, generating a soft and profound timbre. Such a preferable timbre is considered to be due to the unique polygonal packing structure which provides valuable knowledge for developing new types of materials.

  12. Structural properties of matrix metalloproteinases.

    Science.gov (United States)

    Bode, W; Fernandez-Catalan, C; Tschesche, H; Grams, F; Nagase, H; Maskos, K

    1999-04-01

    Matrix metalloproteinases (MMPs) are involved in extracellular matrix degradation. Their proteolytic activity must be precisely regulated by their endogenous protein inhibitors, the tissue inhibitors of metalloproteinases (TIMPs). Disruption of this balance results in serious diseases such as arthritis, tumour growth and metastasis. Knowledge of the tertiary structures of the proteins involved is crucial for understanding their functional properties and interference with associated dysfunctions. Within the last few years, several three-dimensional MMP and MMP-TIMP structures became available, showing the domain organization, polypeptide fold and main specificity determinants. Complexes of the catalytic MMP domains with various synthetic inhibitors enabled the structure-based design and improvement of high-affinity ligands, which might be elaborated into drugs. A multitude of reviews surveying work done on all aspects of MMPs have appeared in recent years, but none of them has focused on the three-dimensional structures. This review was written to close the gap.

  13. Unique chloride-sensing properties of WNK4 permit the distal nephron to modulate potassium homeostasis.

    Science.gov (United States)

    Terker, Andrew S; Zhang, Chong; Erspamer, Kayla J; Gamba, Gerardo; Yang, Chao-Ling; Ellison, David H

    2016-01-01

    Dietary potassium deficiency activates thiazide-sensitive sodium chloride cotransport along the distal nephron. This may explain, in part, the hypertension and cardiovascular mortality observed in individuals who consume a low-potassium diet. Recent data suggest that plasma potassium affects the distal nephron directly by influencing intracellular chloride, an inhibitor of the with-no-lysine kinase (WNK)-Ste20p-related proline- and alanine-rich kinase (SPAK) pathway. As previous studies used extreme dietary manipulations, we sought to determine whether the relationship between potassium and NaCl cotransporter (NCC) is physiologically relevant and clarify the mechanisms involved. We report that modest changes in both dietary and plasma potassium affect NCC in vivo. Kinase assay studies showed that chloride inhibits WNK4 kinase activity at lower concentrations than it inhibits activity of WNK1 or WNK3. Also, chloride inhibited WNK4 within the range of distal cell chloride concentration. Mutation of a previously identified WNK chloride-binding motif converted WNK4 effects on SPAK from inhibitory to stimulatory in mammalian cells. Disruption of this motif in WNKs 1, 3, and 4 had different effects on NCC, consistent with the three WNKs having different chloride sensitivities. Thus, potassium effects on NCC are graded within the physiological range, which explains how unique chloride-sensing properties of WNK4 enable it to mediate effects of potassium on NCC in vivo. Copyright © 2015 International Society of Nephrology. Published by Elsevier Inc. All rights reserved.

  14. Process, structure, property and applications of metallic glasses

    Directory of Open Access Journals (Sweden)

    B. Geetha Priyadarshini

    2016-07-01

    Full Text Available Metallic glasses (MGs are gaining immense technological significance due to their unique structure-property relationship with renewed interest in diverse field of applications including biomedical implants, commercial products, machinery parts, and micro-electro-mechanical systems (MEMS. Various processing routes have been adopted to fabricate MGs with short-range ordering which is believed to be the genesis of unique structure. Understanding the structure of these unique materials is a long-standing unsolved mystery. Unlike crystalline counterpart, the outstanding properties of metallic glasses owing to the absence of grain boundaries is reported to exhibit high hardness, excellent strength, high elastic strain, and anti-corrosion properties. The combination of these remarkable properties would significantly contribute to improvement of performance and reliability of these materials when incorporated as bio-implants. The nucleation and growth of metallic glasses is driven by thermodynamics and kinetics in non-equilibrium conditions. This comprehensive review article discusses the various attributes of metallic glasses with an aim to understand the fundamentals of relationship process-structure-property existing in such unique class of material.

  15. Scientific Support of Construction of Unique Buildings and Structures and Facilities of Increased Danger

    Science.gov (United States)

    Alekhin, V. N.; Antipin, A. A.; Gorodilov, S. N.

    2017-11-01

    A range of works on scientific support for the construction of unique buildings and the structures and facilities of increased danger, such as airport facilities, long-span and high-rise buildings is being implemented at the department “Computer Aided Design in Civil Engineering” of Ural Federal University. The scope of work includes: numerical simulation of wind and snow loads, analysis of progressive collapse and seismic impacts, verification of design solutions. The results of wind, snow loads and progressive collapse of airport buildings in the cities of Orenburg, Rostov-on-Don and Perm are considered in the article.

  16. Unique structure and optics of the lesser eyes of the box jellyfish Tripedalia cystophora

    DEFF Research Database (Denmark)

    Garm, A; Andersson, F; Nilsson, Dan-E

    2008-01-01

    mere light meters. The slit eyes, comprising four cell types, are complex and highly asymmetric. They also hold a lens-like structure, but its optical power is minute. Optical modeling suggests spatial resolution, but only in one plane. These unique and intriguing traits support strong peripheral......The visual system of box jellyfish comprises a total of 24 eyes. These are of four types and each probably has a special function. To investigate this hypothesis the morphology and optics of the lesser eyes, the pit and slit eyes, were examined. The pit eyes hold one cell type only and are probably...

  17. Grain boundary structure and properties

    International Nuclear Information System (INIS)

    Balluffi, R.W.

    1979-01-01

    An attempt is made to distinguish those fundamental aspects of grain boundaries which should be relevant to the problem of the time dependent fracture of high temperature structural materials. These include the basic phenomena which are thought to be associated with cavitation and cracking at grain boundaries during service and with the more general microstructural changes which occur during both processing and service. A very brief discussion of the current state of our knowledge of these fundamentals is given. Included are the following: (1) structure of ideal perfect boundaries; (2) defect structure of grain boundaries; (3) diffusion at grain boundaries; (4) grain boundaries as sources/sinks for point defects; (5) grain boundary migration; (6) dislocation phenomena at grain boundaries; (7) atomic bonding and cohesion at grain boundaries; (8) non-equilibrium properties of grain boundaries; and (9) techniques for studying grain boundaries

  18. The unique genomic properties of sex-biased genes: Insights from avian microarray data

    Directory of Open Access Journals (Sweden)

    Webster Matthew T

    2008-03-01

    Full Text Available Abstract Background In order to develop a framework for the analysis of sex-biased genes, we present a characterization of microarray data comparing male and female gene expression in 18 day chicken embryos for brain, gonad, and heart tissue. Results From the 15982 significantly expressed coding regions that have been assigned to either the autosomes or the Z chromosome (12979 in brain, 13301 in gonad, and 12372 in heart, roughly 18% were significantly sex-biased in any one tissue, though only 4 gene targets were biased in all tissues. The gonad was the most sex-biased tissue, followed by the brain. Sex-biased autosomal genes tended to be expressed at lower levels and in fewer tissues than unbiased gene targets, and autosomal somatic sex-biased genes had more expression noise than similar unbiased genes. Sex-biased genes linked to the Z-chromosome showed reduced expression in females, but not in males, when compared to unbiased Z-linked genes, and sex-biased Z-linked genes were also expressed in fewer tissues than unbiased Z coding regions. Third position GC content, and codon usage bias showed some sex-biased effects, primarily for autosomal genes expressed in the gonad. Finally, there were several over-represented Gene Ontology terms in the sex-biased gene sets. Conclusion On the whole, this analysis suggests that sex-biased genes have unique genomic and organismal properties that delineate them from genes that are expressed equally in males and females.

  19. Uniqueness of Gibbs states and global Markov property for Euclidean fields

    International Nuclear Information System (INIS)

    Albeverio, S.; Hoeegh-Krohn, R.

    1981-01-01

    The authors briefly discuss the proof of the uniqueness of solutions of the DLR equations (uniqueness of Gibbs states) in the class of regular generalized random fields (in the sense of having second moments bounded by those of some Euclidean field), for the Euclidean fields with trigonometric interaction. (Auth.)

  20. Co-residence patterns in hunter-gatherer societies show unique human social structure.

    Science.gov (United States)

    Hill, Kim R; Walker, Robert S; Bozicević, Miran; Eder, James; Headland, Thomas; Hewlett, Barry; Hurtado, A Magdalena; Marlowe, Frank; Wiessner, Polly; Wood, Brian

    2011-03-11

    Contemporary humans exhibit spectacular biological success derived from cumulative culture and cooperation. The origins of these traits may be related to our ancestral group structure. Because humans lived as foragers for 95% of our species' history, we analyzed co-residence patterns among 32 present-day foraging societies (total n = 5067 individuals, mean experienced band size = 28.2 adults). We found that hunter-gatherers display a unique social structure where (i) either sex may disperse or remain in their natal group, (ii) adult brothers and sisters often co-reside, and (iii) most individuals in residential groups are genetically unrelated. These patterns produce large interaction networks of unrelated adults and suggest that inclusive fitness cannot explain extensive cooperation in hunter-gatherer bands. However, large social networks may help to explain why humans evolved capacities for social learning that resulted in cumulative culture.

  1. Unique structural modulation of a non-native substrate by cochaperone DnaJ.

    Science.gov (United States)

    Tiwari, Satyam; Kumar, Vignesh; Jayaraj, Gopal Gunanathan; Maiti, Souvik; Mapa, Koyeli

    2013-02-12

    The role of bacterial DnaJ protein as a cochaperone of DnaK is strongly appreciated. Although DnaJ unaccompanied by DnaK can bind unfolded as well as native substrate proteins, its role as an individual chaperone remains elusive. In this study, we demonstrate that DnaJ binds a model non-native substrate with a low nanomolar dissociation constant and, more importantly, modulates the structure of its non-native state. The structural modulation achieved by DnaJ is different compared to that achieved by the DnaK-DnaJ complex. The nature of structural modulation exerted by DnaJ is suggestive of a unique unfolding activity on the non-native substrate by the chaperone. Furthermore, we demonstrate that the zinc binding motif along with the C-terminal substrate binding domain of DnaJ is necessary and sufficient for binding and the subsequent binding-induced structural alterations of the non-native substrate. We hypothesize that this hitherto unknown structural alteration of non-native states by DnaJ might be important for its chaperoning activity by removing kinetic traps of the folding intermediates.

  2. The unique N-terminal zinc finger of synaptotagmin-like protein 4 reveals FYVE structure.

    Science.gov (United States)

    Miyamoto, Kazuhide; Nakatani, Arisa; Saito, Kazuki

    2017-12-01

    Synaptotagmin-like protein 4 (Slp4), expressed in human platelets, is associated with dense granule release. Slp4 is comprised of the N-terminal zinc finger, Slp homology domain, and C2 domains. We synthesized a compact construct (the Slp4N peptide) corresponding to the Slp4 N-terminal zinc finger. Herein, we have determined the solution structure of the Slp4N peptide by nuclear magnetic resonance (NMR). Furthermore, experimental, chemical modification of Cys residues revealed that the Slp4N peptide binds two zinc atoms to mediate proper folding. NMR data showed that eight Cys residues coordinate zinc atoms in a cross-brace fashion. The Simple Modular Architecture Research Tool database predicted the structure of Slp4N as a RING finger. However, the actual structure of the Slp4N peptide adopts a unique C 4 C 4 -type FYVE fold and is distinct from a RING fold. To create an artificial RING finger (ARF) with specific ubiquitin-conjugating enzyme (E2)-binding capability, cross-brace structures with eight zinc-ligating residues are needed as the scaffold. The cross-brace structure of the Slp4N peptide could be utilized as the scaffold for the design of ARFs. © 2017 The Protein Society.

  3. Immunodominant role of CCHA subunit of Concholepas hemocyanin is associated with unique biochemical properties.

    Science.gov (United States)

    Becker, María Inés; Fuentes, Alejandra; Del Campo, Miguel; Manubens, Augusto; Nova, Esteban; Oliva, Harold; Faunes, Fernando; Valenzuela, María Antonieta; Campos-Vallette, Marcelo; Aliaga, Alvaro; Ferreira, Jorge; De Ioannes, Alfredo E; De Ioannes, Pablo; Moltedo, Bruno

    2009-03-01

    Hemocyanin, the oxygen transporter metallo-glycoprotein from mollusks, shows strong relationship between its notable structural features and intrinsic immunomodulatory effects. Here we investigated the individual contribution of CCHA and CCHB subunits from Concholepas hemocyanin (CCH) to in vivo humoral immune response and their pre-clinical evaluation as immunotherapeutic agent in a mice bladder cancer model, in relation to their biochemical properties. To this end, subunits were purified and well characterized. Homogeneous subunits were obtained by anionic exchange chromatography, and its purity assessed by electrophoretic and immunochemical methods. While each CCH subunit contains eight functional units showing partial cross reaction, the vibrational spectral analysis showed several spectral differences, suggesting structural differences between them. In addition, we demonstrated differences in the carbohydrate content: CCHA had a 3.6% w/w sugar with both N- and O-linked moieties. In turn, CCHB had a 2.5% w/w sugar with N-linked, while O-linked moieties were nearly absent. Considering these differences, it was not possible to predict a priori whether the immunogenic and immunotherapeutic properties of subunits might be similar. Surprisingly, both subunits by itself induced a humoral response, and showed an antitumor effect in the bladder carcinoma cell line MBT-2. However, when immunologic parameters were analyzed, CCHA showed better efficiency than CCHB. No allergic reactions or any toxic effects were observed in mice treated with CCHA, sustaining its potential therapeutic use. Our study supports that CCHA subunit accounts for the most important features involved in the immunogenicity of CCH, such as better hydrophilicity and higher content of carbohydrates.

  4. Quasicrystals Structure and Physical Properties

    CERN Document Server

    Trebin, Hans-Rainer

    2003-01-01

    A comprehensive and up-to-date review, covering the broad range of this outstanding class of materials among intermetallic alloys. Starting with metallurgy and characterization, the authors continue on to structure and mathematical modeling. They use this basis to move on to dealing with electronic, magnetic, thermal, dynamic and mechanical properties, before finally providing an insight into surfaces and thin films. The authors belong to a research program on quasicrystals, sponsored by the German Research Society and managed by Hans-Rainer Trebin, such that most of the latest results are pre

  5. Structural phase transition and elastic properties of samarium monopnictides

    International Nuclear Information System (INIS)

    Pagare, Gitanjali; Chouhan, Sunil Singh; Soni, Pooja; Sanyal, Sankar P.

    2011-01-01

    In recent years the monopnictides and monochalcogenides of the rare-earth elements with rocksalt structure (B 1 ) have aroused intensive interest due to the presence of strongly correlated f electrons in them. Under pressure, the nature of f-electrons of these compounds can be changed from localized to itinerant leading to significant changes in physical and chemical properties. These unusual structural, electronic, and high-pressure properties make them candidates for advanced industrial applications. For these applications they provide unique physical properties which cannot be achieved with other materials

  6. Unique Nanoparticle Optical Properties Confound Fluorescent Based Assays Widely Employed in Their In Vitro Toxicity Screening and Ranking

    Science.gov (United States)

    Nanoparticles (NPs) are novel materials having at least one dimension less than 100 nm and display unique physicochemical properties due to their nanoscale size. An emphasis has been placed on developing high throughput screening (HTS) assays to characterize and rank the toxiciti...

  7. Unique Nanoparticle Properties Confound Fluorescent Based Assays Widely Employed in Their In Vitro Toxicity Testing and Ranking

    Science.gov (United States)

    Nanomaterials are a diverse collection of novel materials that exhibit at least one dimension less than 100 nm and display unique chemical and physical properties due to their nanoscale size. An emphasis has been put on developing high throughput screening (HTS) assays to charac...

  8. Nuclear resonance scattering of synchrotron radiation as a unique electronic, structural and thermodynamic probe

    International Nuclear Information System (INIS)

    Alp, E. Ercan; Sturhahn, Wolfgang; Toellner, Thomas S.; Zhao, Jiyong; Leu, Bogdan M.

    2012-01-01

    (SMS). However, to place these two techniques into some perspective with respect to other methods that yield related information, they display their version of a frequently used map of momentum and energy transfer diagram in figure 17.1. Here, various probes like electrons, neutrons, or light, i.e., Brillouin or Raman, and relatively newer forms of X-ray scattering are placed according to their range of energy and momentum transfer taking place during the measurements. Accordingly, NRIXS is a method that needs to be considered as a complementary probe to inelastic neutron and X-ray scattering, while SMS occupies a unique space due to its sensitivity to magnetism, structural deformations, valence, and spin states.

  9. Unique hyper-thermal composting process in Kagoshima City forms distinct bacterial community structures.

    Science.gov (United States)

    Tashiro, Yukihiro; Tabata, Hanae; Itahara, Asuka; Shimizu, Natsuki; Tashiro, Kosuke; Sakai, Kenji

    2016-11-01

    A unique compost, Satsuma soil, is produced from three types of wastewater sludge using hyper-thermal processes at temperatures much higher than that of general thermophilic processes in Kagoshima City, Japan. We analyzed the bacterial community structures of this hyper-thermal compost sample and other sludges and composts by a high-throughput barcoded pyrosequencing method targeting the 16S rRNA gene. In total, 621,076 reads were derived from 17 samples and filtered. Artificial sequences were deleted and the reads were clustered based on the operational taxonomic units (OTUs) at 97% similarity. Phylum-level analysis of the hyper-thermal compost revealed drastic changes of the sludge structures (each relative abundance) from Firmicutes (average 47.8%), Proteobacteria (average 22.3%), and Bacteroidetes (average 10.1%) to two main phyla including Firmicutes (73.6%) and Actinobacteria (25.0%) with less Proteobacteria (∼0.3%) and Bacteroidetes (∼0.1%). Furthermore, we determined the predominant species (each relative abundance) of the hyper-thermal compost including Firmicutes related to Staphylococcus cohnii (13.8%), Jeotgalicoccus coquinae (8.01%), and Staphylococcus lentus (5.96%), and Actinobacteria related to Corynebacterium stationis (6.41%), and found that these species were not predominant in wastewater sludge. In contrast, we did not observe any common structures among eight other composts produced, using the hyper-thermal composts as the inoculums, under thermophilic conditions from different materials. Principle coordinate analysis of the hyper-thermal compost indicated a large difference in bacterial community structures from material sludge and other composts. These results suggested that a distinct bacterial community structure was formed by hyper-thermal composting. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  10. Redox properties of structural Fe in clay minerals: 3. Relationships between smectite redox and structural properties.

    Science.gov (United States)

    Gorski, Christopher A; Klüpfel, Laura E; Voegelin, Andreas; Sander, Michael; Hofstetter, Thomas B

    2013-01-01

    Structural Fe in clay minerals is an important redox-active species in many pristine and contaminated environments as well as in engineered systems. Understanding the extent and kinetics of redox reactions involving Fe-bearing clay minerals has been challenging due to the inability to relate structural Fe(2+)/Fe(total) fractions to fundamental redox properties, such as reduction potentials (EH). Here, we overcame this challenge by using mediated electrochemical reduction (MER) and oxidation (MEO) to characterize the fraction of redox-active structural Fe (Fe(2+)/Fe(total)) in smectites over a wide range of applied EH-values (-0.6 V to +0.6 V). We examined Fe(2+)/Fe(total )- EH relationships of four natural Fe-bearing smectites (SWy-2, SWa-1, NAu-1, NAu-2) in their native, reduced, and reoxidized states and compared our measurements with spectroscopic observations and a suite of mineralogical properties. All smectites exhibited unique Fe(2+)/Fe(total) - EH relationships, were redox active over wide EH ranges, and underwent irreversible electron transfer induced structural changes that were observable with X-ray absorption spectroscopy. Variations among the smectite Fe(2+)/Fe(total) - EH relationships correlated well with both bulk and molecular-scale properties, including Fe(total) content, layer charge, and quadrupole splitting values, suggesting that multiple structural parameters determined the redox properties of smectites. The Fe(2+)/Fe(total) - EH relationships developed for these four commonly studied clay minerals may be applied to future studies interested in relating the extent of structural Fe reduction or oxidation to EH-values.

  11. Microstructure characterization and magnetic properties of nano structured materials

    International Nuclear Information System (INIS)

    Sun, X.C.

    2000-01-01

    The present thesis deals with the unique microstructural properties and their novel magnetic properties of core-shell Ni-Ce nano composite particles, carbon encapsulated Fe, Co, and Ni nanoparticles and the nano crystallization behavior of typical ferromagnetic Fe 78 Si 9 B 13 ribbons. These properties have intensively been investigated by high resolution transmission electron microscopy (HREM), X-ray diffraction (XRD), scanning electron microscopy (Sem), X-ray energy dispersive spectroscopy (Eds.); selected area electron diffraction pattern (SAED), Ft-IR, differential scanning calorimeter (DSC). In addition, magnetic moments measurements at different temperatures and applied fields have been performed by transmission Moessbauer spectroscopy, superconducting quantum interference device magnetometer (SQUID), and vibrating sample magnetometer (VSM). The present studies may provide the insights for the better understanding of the correlation between the unique microstructure and novel magnetic properties for several magnetic nano structured materials. (Author)

  12. Microstructure characterization and magnetic properties of nano structured materials

    Energy Technology Data Exchange (ETDEWEB)

    Sun, X.C

    2000-07-01

    The present thesis deals with the unique microstructural properties and their novel magnetic properties of core-shell Ni-Ce nano composite particles, carbon encapsulated Fe, Co, and Ni nanoparticles and the nano crystallization behavior of typical ferromagnetic Fe{sub 78}Si{sub 9}B{sub 13} ribbons. These properties have intensively been investigated by high resolution transmission electron microscopy (HREM), X-ray diffraction (XRD), scanning electron microscopy (Sem), X-ray energy dispersive spectroscopy [eds.]; selected area electron diffraction pattern (SAED), Ft-IR, differential scanning calorimeter (DSC). In addition, magnetic moments measurements at different temperatures and applied fields have been performed by transmission Moessbauer spectroscopy, superconducting quantum interference device magnetometer (SQUID), and vibrating sample magnetometer (VSM). The present studies may provide the insights for the better understanding of the correlation between the unique microstructure and novel magnetic properties for several magnetic nano structured materials. (Author)

  13. Structure Property Studies for Additively Manufactured Parts

    Energy Technology Data Exchange (ETDEWEB)

    Milenski, Helen M [Univ. of Mexico, Los Alamos, NM (United States); Schmalzer, Andrew Michael [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Kelly, Daniel [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    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.

  14. Cellulose nanomaterials review: structure, properties and nanocomposites

    Science.gov (United States)

    Robert J. Moon; Ashlie Martini; John Nairn; John Simonsen; Jeff Youngblood

    2011-01-01

    This critical review provides a processing-structure-property perspective on recent advances in cellulose nanoparticles and composites produced from them. It summarizes cellulose nanoparticles in terms of particle morphology, crystal structure, and properties. Also described are the self-assembly and rheological properties of cellulose nanoparticle suspensions. The...

  15. Genetic structure of a unique admixed population: implications for medical research.

    Science.gov (United States)

    Patterson, Nick; Petersen, Desiree C; van der Ross, Richard E; Sudoyo, Herawati; Glashoff, Richard H; Marzuki, Sangkot; Reich, David; Hayes, Vanessa M

    2010-02-01

    STATEMENT: In naming population groups, we think a chief aim is to use terms that the group members use themselves, or find familiar and comfortable. The terms used in this manuscript to describe populations are as historically correct as possible and are chosen so as not to offend any population group. Two of the authors (DCP and REvdR) belong to the Coloured population, with one of the authors (REvdR) having contributed extensively to current literature on the history of the Coloured people of South Africa and served as Vice-President of the South African Institute of Race Relations. According to the 2001 South African census (http://www.statssa.gov.za/census01/HTML/CInBrief/CIB2001.pdf), "Statistics South Africa continues to classify people by population group, in order to monitor progress in moving away from the apartheid-based discrimination of the past. However, membership of a population group is now based on self-perception and self-classification, not on a legal definition. Five options were provided on the questionnaire, Black African, Coloured, Indian or Asian, White and Other. Responses in the category 'Other' were very few and were therefore imputed". We have elected to use the term Bushmen rather than San to refer to the hunter-gatherer people of Southern Africa. Although they have no collective name for themselves, this decision was based on the term Bushmen (or Bossiesman) being the more familiar to the communities themselves, while the term San is the more accepted academic classification. Understanding human genetic structure has fundamental implications for understanding the evolution and impact of human diseases. In this study, we describe the complex genetic substructure of a unique and recently admixed population arising approximately 350 years ago as a direct result of European settlement in South Africa. Analysis was performed using over 900 000 genome-wide single nucleotide polymorphisms in 20 unrelated ancestry-informative marker selected

  16. The structure of Haemophilus influenzae prephenate dehydrogenase suggests unique features of bifunctional TyrA enzymes

    International Nuclear Information System (INIS)

    Chiu, Hsiu-Ju; Abdubek, Polat; Astakhova, Tamara; Axelrod, Herbert L.; Carlton, Dennis; Clayton, Thomas; Das, Debanu; Deller, Marc C.; Duan, Lian; Feuerhelm, Julie; Grant, Joanna C.; Grzechnik, Anna; Han, Gye Won; Jaroszewski, Lukasz; Jin, Kevin K.; Klock, Heath E.; Knuth, Mark W.; Kozbial, Piotr; Krishna, S. Sri; Kumar, Abhinav; Marciano, David; McMullan, Daniel; Miller, Mitchell D.; Morse, Andrew T.; Nigoghossian, Edward; Okach, Linda; Reyes, Ron; Tien, Henry J.; Trame, Christine B.; Bedem, Henry van den; Weekes, Dana; Xu, Qingping; Hodgson, Keith O.; Wooley, John; Elsliger, Marc-André; Deacon, Ashley M.; Godzik, Adam; Lesley, Scott A.; Wilson, Ian A.

    2010-01-01

    The crystal structure of the prephenate dehydrogenase component of the bifunctional H. influenzae TyrA reveals unique structural differences between bifunctional and monofunctional TyrA enzymes. Chorismate mutase/prephenate dehydrogenase from Haemophilus influenzae Rd KW20 is a bifunctional enzyme that catalyzes the rearrangement of chorismate to prephenate and the NAD(P) + -dependent oxidative decarboxylation of prephenate to 4-hydroxyphenylpyruvate in tyrosine biosynthesis. The crystal structure of the prephenate dehydrogenase component (HinfPDH) of the TyrA protein from H. influenzae Rd KW20 in complex with the inhibitor tyrosine and cofactor NAD + has been determined to 2.0 Å resolution. HinfPDH is a dimeric enzyme, with each monomer consisting of an N-terminal α/β dinucleotide-binding domain and a C-terminal α-helical dimerization domain. The structure reveals key active-site residues at the domain interface, including His200, Arg297 and Ser179 that are involved in catalysis and/or ligand binding and are highly conserved in TyrA proteins from all three kingdoms of life. Tyrosine is bound directly at the catalytic site, suggesting that it is a competitive inhibitor of HinfPDH. Comparisons with its structural homologues reveal important differences around the active site, including the absence of an α–β motif in HinfPDH that is present in other TyrA proteins, such as Synechocystis sp. arogenate dehydrogenase. Residues from this motif are involved in discrimination between NADP + and NAD + . The loop between β5 and β6 in the N-terminal domain is much shorter in HinfPDH and an extra helix is present at the C-terminus. Furthermore, HinfPDH adopts a more closed conformation compared with TyrA proteins that do not have tyrosine bound. This conformational change brings the substrate, cofactor and active-site residues into close proximity for catalysis. An ionic network consisting of Arg297 (a key residue for tyrosine binding), a water molecule, Asp206 (from

  17. Specially designed B4C/SnO2 nanocomposite for photocatalysis: traditional ceramic with unique properties

    Science.gov (United States)

    Singh, Paviter; Kaur, Gurpreet; Singh, Kulwinder; Singh, Bikramjeet; Kaur, Manpreet; Kaur, Manjot; Krishnan, Unni; Kumar, Manjeet; Bala, Rajni; Kumar, Akshay

    2018-02-01

    Boron carbide: A traditional ceramic material shows unique properties when explored in nano-range. Specially designed boron-based nanocomposite has been synthesized by reflux method. The addition of SnO2 in base matrix increases the defect states in boron carbide and shows unique catalytic properties. The calculated texture coefficient and Nelson-Riley factor show that the synthesized nanocomposite has large number of defect states. Also this composite is explored for the first time for catalysis degradation of industrial used dyes. The degradation analysis of industrial pollutants such as Novacron red Huntsman (NRH) and methylene blue (MB) dye reveals that the composite is an efficient catalyst. Degradation study shows that 1 g/L catalyst concentration of B4C/SnO2 degrades NRH and MB dye up to approximately 97.38 and 79.41%, respectively, in 20 min under sunlight irradiation. This water-insoluble catalyst can be recovered and reused.

  18. Unique spin-polarized transmission effects in a QD ring structure

    Science.gov (United States)

    Hedin, Eric; Joe, Yong

    2010-10-01

    Spintronics is an emerging field in which the spin of the electron is used for switching purposes and to communicate information. In order to obtain spin-polarized electron transmission, the Zeeman effect is employed to produce spin-split energy states in quantum dots which are embedded in the arms of a mesoscopic Aharonov-Bohm (AB) ring heterostructure. The Zeeman splitting of the QD energy levels can be induced by a parallel magnetic field, or by a perpendicular field which also produces AB-effects. The combination of these effects on the transmission resonances of the structure is studied analytically and several parameter regimes are identified which produce a high degree of spin-polarized output. Contour and line plots of the weighted spin polarization as a function of electron energy and magnetic field are presented to visualize the degree of spin-polarization. Taking advantage of these unique parameter regimes shows the potential promise of such devices for producing spin-polarized currents.

  19. Unique antitumor property of the Mg-Ca-Sr alloys with addition of Zn

    Science.gov (United States)

    Wu, Yuanhao; He, Guanping; Zhang, Yu; Liu, Yang; Li, Mei; Wang, Xiaolan; Li, Nan; Li, Kang; Zheng, Guan; Zheng, Yufeng; Yin, Qingshui

    2016-02-01

    In clinical practice, tumor recurrence and metastasis after orthopedic prosthesis implantation is an intensely troublesome matter. Therefore, to develop implant materials with antitumor property is extremely necessary and meaningful. Magnesium (Mg) alloys possess superb biocompatibility, mechanical property and biodegradability in orthopedic applications. However, whether they possess antitumor property had seldom been reported. In recent years, it showed that zinc (Zn) not only promote the osteogenic activity but also exhibit good antitumor property. In our present study, Zn was selected as an alloying element for the Mg-1Ca-0.5Sr alloy to develop a multifunctional material with antitumor property. We investigated the influence of the Mg-1Ca-0.5Sr-xZn (x = 0, 2, 4, 6 wt%) alloys extracts on the proliferation rate, cell apoptosis, migration and invasion of the U2OS cell line. Our results show that Zn containing Mg alloys extracts inhibit the cell proliferation by alteration the cell cycle and inducing cell apoptosis via the activation of the mitochondria pathway. The cell migration and invasion property were also suppressed by the activation of MAPK (mitogen-activated protein kinase) pathway. Our work suggests that the Mg-1Ca-0.5Sr-6Zn alloy is expected to be a promising orthopedic implant in osteosarcoma limb-salvage surgery for avoiding tumor recurrence and metastasis.

  20. Structural and biochemical analysis of a unique phosphatase from Bdellovibrio bacteriovorus reveals its structural and functional relationship with the protein tyrosine phosphatase class of phytase.

    Directory of Open Access Journals (Sweden)

    Robert J Gruninger

    Full Text Available Bdellovibrio bacteriovorus is an unusual δ-proteobacterium that invades and preys on other Gram-negative bacteria and is of potential interest as a whole cell therapeutic against pathogens of man, animals and crops. PTPs (protein tyrosine phosphatases are an important class of enzyme involved in desphosphorylating a variety of substrates, often with implications in cell signaling. The B. bacteriovorus open reading frame Bd1204 is predicted to encode a PTP of unknown function. Bd1204 is both structurally and mechanistically related to the PTP-like phytase (PTPLP class of enzymes and possesses a number of unique properties not observed in any other PTPLPs characterized to date. Bd1204 does not display catalytic activity against some common protein tyrosine phosphatase substrates but is highly specific for hydrolysis of phosphomonoester bonds of inositol hexakisphosphate. The structure reveals that Bd1204 has the smallest and least electropositive active site of all characterized PTPLPs to date yet possesses a unique substrate specificity characterized by a strict preference for inositol hexakisphosphate. These two active site features are believed to be the most significant contributors to the specificity of phytate degrading enzymes. We speculate that Bd1204 may be involved in phosphate acquisition outside of prey.

  1. Improvement of thermoelectric properties induced by uniquely ordered lattice field in Bi2Se0.5Te2.5 pillar array

    International Nuclear Information System (INIS)

    Tan, Ming; Hao, Yanming; Wang, Gangzhi

    2014-01-01

    In this study, it was found that uniquely ordered lattice field favors transport of carriers but hinder that of phonons. The n-Bi 2 Se 0.5 Te 2.5 pillar array film was successfully achieved by a simple ion beam assisted deposition technique. This oriented pillar array structure is clear with pillar diameter of about 30 nm, exhibiting a uniquely ordered lattice field. The properties of the ordered Bi 2 Se 0.5 Te 2.5 pillar array were greatly enhanced in comparison with those of the ordinary film. The Bi 2 Se 0.5 Te 2.5 pillar array with a thermoelectric dimensionless figure-of-merit ZT=1.28 was obtained at room temperature. The in-plane transport mechanisms of the ordered pillar array and the ordinary structures, lattice field model, are proposed and investigated. The specially ordered lattice field is the main reason for the properties enhancement observed in the Bi 2 Se 0.5 Te 2.5 film. Introduction of such ordered lattice field into TE films is therefore a very promising approach. - Graphical abstract: In this study, it was found that uniquely ordered lattice field favors transport of carriers but hinder that of phonons. The Bi 2 Se 0.5 Te 2.5 pillar array film with a thermoelectric dimensionless figure-of-merit ZT=1.28 was obtained at room temperature. The in-plane transport mechanisms of the ordered pillar array and the ordinary structures, the lattice field model, are proposed and investigated. The specially ordered lattice field is the main reason for the properties enhancement observed in the Bi 2 Se 0.5 Te 2.5 pillar array. Introduction of such uniquely ordered lattice field into TE films is therefore a very promising approach. In (a) TEM and (b) HRTEM images of the ordered Bi 2 Se 0.5 Te 2.5 column array. - Highlights: • Uniquely ordered Bi 2 Se 0.5 Te 2.5 pillar array was achieved by an IBAD method. • The pillar array with an ordered lattice field exhibits attractive TE property. • The transport mechanism of such ordered pillar array is proposed and

  2. Metallic nanoparticles: microbial synthesis and unique properties for biotechnological applications, bioavailability and biotransformation

    NARCIS (Netherlands)

    Pereira, L.; Mehboob, F.; Stams, A.J.M.; Mota, M.M.; Rijnaarts, H.H.M.; Alves, M.M.

    2015-01-01

    The impact of nanotechnology in all areas of science and technology is evident. The expanding availability of a variety of nanostructures with properties in the nanometer size range has sparked widespread interest in their use in biotechnological systems, including the field of environmental

  3. Solec Spa – worldwide unique properties of Polish health resort in the service of rural medicine

    Directory of Open Access Journals (Sweden)

    Marek L Grabowski

    2018-03-01

    Full Text Available Solec Spa is health resort in south-eastern Poland. Its unique balneorehabilitation significance worldwide is determined by chloride-iodine-sodium water with a high content of hydrogen sulphide. This water, classified as highly mineralized sodium-chloride (seltzer sulphide, bromide, iodide, boron water, contains naturally approximately 0.9 g/l divalent sulphur compounds, which is the highest concentration noted among the mineral waters of the world. The effectiveness of the Solec waters is proven in: inflammatory and autoimmunological locomotor system diseases, degenerative joint disorders (osteoarthritis, post-traumatic and post-operative orthopedic diseases, skin diseases and allergic disorders. One of the main indications for balneotherapy in Solec Spa and Busko Spa is chronic brucellosis.

  4. Some properties of a unique cadmium-binding moiety in the soluble fraction of rat testes

    International Nuclear Information System (INIS)

    Chen, R.W.; Ganther, H.E.

    1975-01-01

    A 30000 molecular weight testicular Cd-binding peak (30000 MW CdBP) previously implicated in Cd-induced testicular injury was unstable during storage with respect to apparent molecular weight determined by Sephadex G-75 chromatography. Storage of testicular cytosol labeled with 109 Cd in vivo or in vitro for several days at 4degC under nitrogen resulted in disappearance of the 30000 MW Cd-BP and increased 109 Cd uptake in other protein fractions. Rechromatography of the previously isolated 30000 MW Cd-BP after storage gave rise to a 109 Cd peak eluting in the higher molecular weight region. The latter effect was prevented by 1 mM dithiothreitol, suggesting that sulfhydryl groups were involved in the apparent aggregation. The 30000 MW Cd-BP found in testes of rats was not present in testes of roosters, nor in liver and kidney of either species, providing further evidence of a correlation between the occurrence of 30000 MW Cd-BP protein in the tissue and susceptibility to Cd-injury. The inability of parenterally administered HgCl 2 to induce testicular injury compared to the same dose of CdCl 2 (0.011mmol/kg) is apparently related to the poor uptake of Hg in the testes (one-eighteenth that of Cd) rather than to an inability of Hg to bind to the 30000 MW Cd-BP. Our studies indicate that binding of Cd to this unique 30000 MW testicular component, as yet unidentified, is a possible basis for the unique sensitivity of the testis to Cd injury. (author)

  5. The unique structural parameters of the underlying host galaxies in blue compact dwarfs

    International Nuclear Information System (INIS)

    Janowiecki, Steven; Salzer, John J.

    2014-01-01

    The nature of possible evolutionary pathways between various types of dwarf galaxies is still not fully understood. Blue compact dwarf galaxies (BCDs) provide a unique window into dwarf galaxy formation and evolution and are often thought of as an evolutionary stage between different classes of dwarf galaxies. In this study we use deep optical and near-infrared observations of the underlying hosts of BCDs in order to study the structural differences between different types of dwarf galaxies. When compared with dwarf irregular galaxies of similar luminosities, we find that the underlying hosts of BCDs have significantly more concentrated light distributions, with smaller scale lengths and brighter central surface brightnesses. We demonstrate here that the underlying hosts of BCDs are distinct from the broad continuum of typical dwarf irregular galaxies, and that it is unlikely that most dwarf irregular galaxies can transform into a BCD or vice versa. Furthermore, we find that the starburst in a BCD only brightens it on average by ∼0.8 mag (factor of two), in agreement with other studies. It appears that a BCD is a long-lived and distinct type of dwarf galaxy that exhibits an exceptionally concentrated matter distribution. We suggest that it is this compact mass distribution that enables the strong star formation events that characterize this class of dwarf galaxy, that the compactness of the underlying host can be used as a distinguishing parameter between BCDs and other dwarf galaxies, and that it can also be used to identify BCDs which are not currently experiencing an intense starburst event.

  6. Structural property of platinum mononitride

    International Nuclear Information System (INIS)

    Yu, L.H.; Yao, K.L.; Liu, Z.L.; Zhang, Y.S.

    2007-01-01

    The structural stability and pressure-induced structural phase transition of platinum mononitride (PtN), as well as its electronic structure, were studied using the full potential augmented plane wave plus local orbitals method with the generalized gradient approximation (GGA) exchange-correlation functional. The total energy calculations show that the optimized wurtzite structure is most stable energetically among four structures: zinc blende, rocksalt, CsCl and wurtzite, which reveals the platinum mononitride PtN perhaps crystallizes in the wurtzite structure; the pressure of phase transition from wurtzite to rocksalt is predicted to be 41.4 GPa.The calculated bulk modulus of the wurtzite structure is 99.41 GPa, which is smaller than that of the other three structures and face-centered cubic Pt. The band structure calculations show wurtzite PtN is metallic

  7. Structural and dynamical properties of Yukawa balls

    International Nuclear Information System (INIS)

    Block, D; Kroll, M; Arp, O; Piel, A; Kaeding, S; Ivanov, Y; Melzer, A; Henning, C; Baumgartner, H; Ludwig, P; Bonitz, M

    2007-01-01

    To study the structural and dynamical properties of finite 3D dust clouds (Yukawa balls) new diagnostic tools have been developed. This contribution describes the progress towards 3D diagnostics for measuring the particle positions. It is shown that these diagnostics are capable of investigating the structural and dynamical properties of Yukawa balls and gaining insight into their basic construction principles

  8. Structural relaxation: low temperature properties

    International Nuclear Information System (INIS)

    Cruz, F. de la

    1984-01-01

    We discuss the changes in transport and superconducting properties of amorphous Zr 70 Cu 30 , induced by thermal relaxation. The experimental results are used to investigate the relation between the microscopic parameters and the observed physical properties. It is shown that the density of eletronic states determines the shift Tc as well as the variation of the electrical resistivity. It is necessary to assume strong hybridization between s and d bands to understand the eletrodynamic response of the superconductor. (Author) [pt

  9. Role of the hydrophobic phase for the unique rheologica properties of saponin adsorption layers

    NARCIS (Netherlands)

    Golemanov, K.; Tcholakova, S.; Denkov, N.; Pelan, E.G.; Stoyanov, S.D.

    2014-01-01

    Saponins are a diverse class of natural, plant derived surfactants, with peculiar molecular structure consisting of a hydrophobic scaffold and one or several hydrophilic oligosaccharide chains. Saponins have strong surface activity and are used as natural emulsifiers and foaming agents in food and

  10. Structure, processing, and properties of potatoes

    Science.gov (United States)

    Lloyd, Isabel K.; Kolos, Kimberly R.; Menegaux, Edmond C.; Luo, Huy; McCuen, Richard H.; Regan, Thomas M.

    1992-06-01

    The objective of this experiment and lesson intended for high school students in an engineering or materials science course or college freshmen is to demonstrate the relation between processing, structure, and thermodynamic and physical properties. The specific objectives are to show the effect of structure and structural changes on thermodynamic properties (specific heat) and physical properties (compressive strength); to illustrate the first law of thermodynamics; to compare boiling a potato in water with cooking it in a microwave in terms of the rate of structural change and the energy consumed to 'process' the potato; and to demonstrate compression testing.

  11. Structure, processing, and properties of potatoes

    Science.gov (United States)

    Lloyd, Isabel K.; Kolos, Kimberly R.; Menegaux, Edmond C.; Luo, Huy; Mccuen, Richard H.; Regan, Thomas M.

    1992-01-01

    The objective of this experiment and lesson intended for high school students in an engineering or materials science course or college freshmen is to demonstrate the relation between processing, structure, and thermodynamic and physical properties. The specific objectives are to show the effect of structure and structural changes on thermodynamic properties (specific heat) and physical properties (compressive strength); to illustrate the first law of thermodynamics; to compare boiling a potato in water with cooking it in a microwave in terms of the rate of structural change and the energy consumed to 'process' the potato; and to demonstrate compression testing.

  12. The unique properties of agricultural aerosols measured at a cattle feeding operation

    Science.gov (United States)

    Hiranuma, N.; Brooks, S. D.; Gramann, J.; Auvermann, B. W.

    2011-05-01

    Housing roughly 10 million head of cattle in the United States alone, open air cattle feedlots represent a significant but poorly constrained source of atmospheric particles. Here we present a comprehensive characterization of physical and chemical properties of particles emitted from a large representative cattle feedlot in the Southwest United States. In the summer of 2008, measurements and samplings were conducted at the nominally upwind and downwind edges of the facility. A series of far-field measurements and samplings was also conducted 3.5 km north of the facility. Two instruments, a GRIMM Sequential Mobility Particle Sizer (SMPS) and a GRIMM Portable Aerosol Spectrometer (PAS), were used to measure particle size distributions over the range of 0.01 to 25 μm diameter. Raman microspectroscopy (RM) was used to determine the chemical composition of particles on a single particle basis. Volume size distributions of fugitive dust were dominated by coarse mode particles. Twenty-four hour averaged concentrations of PM10 (particulate matter with a diameter of 10 μm or less) were as high as 1200 μg m-3 during the campaign. The primary constituents of the particulate matter were carbonaceous materials, such as humic acid, water soluble organics, and less soluble fatty acids, including stearic acid and tristearin. A significant percentage of the organic particles, up to 28 %, were composed of internally mixed with salts. Basic characteristics such as size distribution and composition of agricultural aerosols were found to be different than the properties of those found in urban and semi-urban aerosols. Failing to account for such differences will lead to serious errors in estimates of aerosol effects on climate, visibility, and public health.

  13. Intermetallics structures, properties, and statistics

    CERN Document Server

    Steurer, Walter

    2016-01-01

    The focus of this book is clearly on the statistics, topology, and geometry of crystal structures and crystal structure types. This allows one to uncover important structural relationships and to illustrate the relative simplicity of most of the general structural building principles. It also allows one to show that a large variety of actual structures can be related to a rather small number of aristotypes. It is important that this book is readable and beneficial in the one way or another for everyone interested in intermetallic phases, from graduate students to experts in solid-state chemistry/physics/materials science. For that purpose it avoids using an enigmatic abstract terminology for the classification of structures. The focus on the statistical analysis of structures and structure types should be seen as an attempt to draw the background of the big picture of intermetallics, and to point to the white spots in it, which could be worthwhile exploring. This book was not planned as a textbook; rather, it...

  14. Structures and properties of spatially distorted porphyrins

    International Nuclear Information System (INIS)

    Golubchikov, Oleg A; Kuvshinova, Elizaveta M; Pukhovskaya, Svetlana G

    2005-01-01

    The published data on the structures and properties of porphyrins with distorted aromatic macrocycles are generalised and analysed. Data on the crystal structures, spectra and kinetics of formation and dissociation of their coordination derivatives are summarised. It is demonstrated that the distortion of the planar structure of the tetrapyrrole core is one of the most efficient means of controlling spectral, physicochemical and coordination properties of these compounds.

  15. Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance.

    Science.gov (United States)

    Kern, Marcelo; McGeehan, John E; Streeter, Simon D; Martin, Richard N A; Besser, Katrin; Elias, Luisa; Eborall, Will; Malyon, Graham P; Payne, Christina M; Himmel, Michael E; Schnorr, Kirk; Beckham, Gregg T; Cragg, Simon M; Bruce, Neil C; McQueen-Mason, Simon J

    2013-06-18

    Nature uses a diversity of glycoside hydrolase (GH) enzymes to convert polysaccharides to sugars. As lignocellulosic biomass deconstruction for biofuel production remains costly, natural GH diversity offers a starting point for developing industrial enzymes, and fungal GH family 7 (GH7) cellobiohydrolases, in particular, provide significant hydrolytic potential in industrial mixtures. Recently, GH7 enzymes have been found in other kingdoms of life besides fungi, including in animals and protists. Here, we describe the in vivo spatial expression distribution, properties, and structure of a unique endogenous GH7 cellulase from an animal, the marine wood borer Limnoria quadripunctata (LqCel7B). RT-quantitative PCR and Western blot studies show that LqCel7B is expressed in the hepatopancreas and secreted into the gut for wood degradation. We produced recombinant LqCel7B, with which we demonstrate that LqCel7B is a cellobiohydrolase and obtained four high-resolution crystal structures. Based on a crystallographic and computational comparison of LqCel7B to the well-characterized Hypocrea jecorina GH7 cellobiohydrolase, LqCel7B exhibits an extended substrate-binding motif at the tunnel entrance, which may aid in substrate acquisition and processivity. Interestingly, LqCel7B exhibits striking surface charges relative to fungal GH7 enzymes, which likely results from evolution in marine environments. We demonstrate that LqCel7B stability and activity remain unchanged, or increase at high salt concentration, and that the L. quadripunctata GH mixture generally contains cellulolytic enzymes with highly acidic surface charge compared with enzymes derived from terrestrial microbes. Overall, this study suggests that marine cellulases offer significant potential for utilization in high-solids industrial biomass conversion processes.

  16. Antidepressant-like property of Jobelyn®, an African unique herbal formulation, in mice.

    Science.gov (United States)

    Umukoro, S; Eduviere, A T; Aladeokin, A C; Olugbemide, A S

    2014-03-01

    The purpose of this investigation was to evaluate whether Jobelyn® (JB) possesses anti-depressant-like property in the mouse forced swimming test (FST), tail suspension test (TST) and yohimbine-induced lethality test (YLT) in aggregated mice. Mice were given JB (10-100 mg/kg, p.o.) daily for 7 days and then subjected to FST, TST, YLT and open field test. The parameters assessed in both FST and TST were the time (s) spent in active movement (struggling time), first occurrence of immobility (s) and the duration of immobility (s). In the YLT, the mortality rate was recorded 24 h after yohimbine (35 mg/kg, i.p.) administration. In the open field test, the number of line crosses and total distance travelled (m) were measured for 10 min in the open field chamber. JB significantly (popen-field test. Jobelyn® has antidepressant-like activity, which may be related to the stimulation of serotonergic and noradrenergic pathways. The ability of Jobelyn® to delay the onset of immobility and to prolong the struggling time support its use as energizer in general body weakness or exhaustion. © Georg Thieme Verlag KG Stuttgart · New York.

  17. Unique Optical Properties of Methylammonium Lead Iodide Nanocrystals Below the Bulk Tetragonal-Orthorhombic Phase Transition.

    Science.gov (United States)

    Diroll, Benjamin T; Guo, Peijun; Schaller, Richard D

    2018-02-14

    Methylammonium (MA) and formamidinium (FA) lead halides are widely studied for their potential as low-cost, high-performance optoelectronic materials. Here, we present measurements of visible and IR absorption, steady state, and time-resolved photoluminescence from 300 K to cryogenic temperatures. Whereas FAPbI 3 nanocrystals (NCs) are found to behave in a very similar manner to reported bulk behavior, colloidal nanocrystals of MAPbI 3 show a departure from the low-temperature optical behavior of the bulk material. Using photoluminescence, visible, and infrared absorption measurements, we demonstrate that unlike single crystals and polycrystalline films NCs of MAPbI 3 do not undergo optical changes associated with the bulk tetragonal-to-orthorhombic phase transition, which occurs near 160 K. We find no evidence of frozen organic cation rotation to as low as 80 K or altered exciton binding energy to as low as 3 K in MAPbI 3 NCs. Similar results are obtained in MAPbI 3 NCs ranging from 20 to over 100 nm and in morphologies including cubes and plates. Colloidal MAPbI 3 NCs therefore offer a window into the properties of the solar-relevant, room-temperature phase of MAPbI 3 at temperatures inaccessible with single crystals or polycrystalline samples. Exploiting this phenomenon, these measurements reveal the existence of an optically passive photoexcited state close to the band edge and persistent slow Auger recombination at low temperature.

  18. The Structure and Assessment of a Unique and Popular Interdisciplinary Science Course for Nonmajors

    Science.gov (United States)

    Train, Tonya Laakko; Gammon, David E.

    2012-01-01

    Science Without Borders is a unique interdisciplinary science course that uses group and active-learning strategies and is in high demand among nonscience majors at a masters-level university. Registrar data showed that nonscience majors were far more likely to choose this course compared with other, discipline-based science courses. In an…

  19. Silicon nanowires: structure and properties

    International Nuclear Information System (INIS)

    Nezhdanov, A.V.; Mashin, A.I.; Razuvaev, A.G.; Ershov, A.V.; Ignatov, S.K.

    2006-01-01

    An attempt to grow silicon nanowires has been made by electron beam evaporation on highly oriented pyrolytic substrate. Needle-like objects are located along the normal to a substrate (density 2 x 10 11 cm -2 ). For modeling quasi-one-dimensional objects calculations of nuclear structure and energy spectra have been accomplished. A fullerene-like structure Si 24 is proposed as a basic atomic configuration of silicon nanowires [ru

  20. Structure and Properties of Compressed Borate Glasses

    DEFF Research Database (Denmark)

    Smedskjær, Morten Mattrup; Bauer, U.; Behrens, H.

    While the influence of thermal history on the structure and properties of glasses has been thoroughly studied in the past century, the influence of pressure history has received considerably less attention. In this study, we investigate the pressure-induced changes in structure and properties in ......, hardness and crack formation from nanoindentation experiments, and overshoot in isobaric heat capacity from DSC experiments at ambient pressure. The influence of the initial boron speciation on the degree of changes in structure and properties will also be discussed....

  1. Structural and morphological properties of electroceramics for chemical sensors

    International Nuclear Information System (INIS)

    Tor Vergata, Via della Ricerca Scientifica, Roma (Italy). Dipartimento di Scienze e Tecnologie Chimiche)" data-affiliation=" (Universita' di Roma Tor Vergata, Via della Ricerca Scientifica, Roma (Italy). Dipartimento di Scienze e Tecnologie Chimiche)" >Enrico Traversa

    1996-01-01

    Ceramic materials possess a unique structure consisting of grains, grain boundaries, surfaces and pores, which makes them suitable for chemical sensors. The control of the chemical composition and microstructure of electrochemicals is fundamental for controlling their properties. Ceramics with a given composition and microstructure can be produced by controlling the different steps of their processing. The chemical processing of ceramics offer many advantages in terms of control and reproducibility, with respect to the conventional ceramics processing. Results are reported about the chemical processing of perovskite-type oxides for gas sensors and about the novel humidity-sensitive electrical properties of sol-gel processed alkali-doped titania films. The structural and morphological characterization of these materials permits the understanding of the sensitive electrical properties of the ceramics (71 refs.)

  2. A unique structure for the multiplexer in quantum-dot cellular automata to create a revolution in design of nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Naji Asfestani, Mazaher; Rasouli Heikalabad, Saeed, E-mail: s.rasouli@iaut.ac.ir

    2017-05-01

    Quantum-dot cellular automata (QCA) is the advent of technology and suitable replacement for semiconductor transistor technology. In this paper, a unique structure for the 2:1 multiplexer is presented in QCA. The structure of this component is simple, ultra-efficient and very useful to implement the various logical functions. The proposed structure does not follow any Boolean function. It takes advantage of the inherent characteristics of quantum technology to produce the desired output. Based on these principles, we design the new and efficient structures for the 4:1 multiplexer and 8:1 multiplexer in the QCA technology. These structures are designed with QCADesigner simulator and simulation results are examined. Investigation results indicate the amazing performance of proposed structure compared to existing structures in terms of area, complexity, power consumption and latency.

  3. Structural Properties of Barium Stannate.

    Energy Technology Data Exchange (ETDEWEB)

    Phelan, D.; Han, F.; Lopez-Bezanilla, A.; Krogstad, M. J.; Gim, Y.; Rong, Y.; Zhang, J.; Parshall, D.; Zheng, H.; Cooper, S. L.; Feygenson, M.; Yang, Wenge; Chen, Yu-Sheng

    2018-06-01

    BaSnO3 has attracted attention as a transparent conducting oxide with high room temperature carrier mobility. We report a series of measurements that were carried out to assess the structure of BaSnO3 over a variety of length scales. Measurements included single crystal neutron and x-ray diffraction, Rietveld and pair distribution analysis of neutron powder diffraction, Raman scattering, and high-pressure x-ray diffraction. Results from the various diffraction probes indicate that both the long-range and local structures are consistent with the cubic symmetry. The diffraction data under pressure was consistent with a robustly cubic phase up to 48.9 GPa, which is supported by density functional calculations. Additionally, transverse phonon velocities were determined from measured dispersion of the transverse acoustic phonon branches, the results of which are in good agreement with previous theoretical estimates and ultrasound measurements.

  4. Grain boundary structure and properties

    International Nuclear Information System (INIS)

    Balluffi, R.W.

    1979-05-01

    An attempt is made to distinguish those fundamental aspects of grain boundaries which should be relevant to the problem of the time dependent fracture of high temperature structural materials. These include the basic phenomena which are thought to be associated with cavitation and cracking at grain boundaries during service and with the more general microstructural changes which occur during both processing and service. A very brief discussion of the current state of knowledge of these fundamentals is given

  5. Structure and properties of metals

    CERN Document Server

    Kurzydlowski, K J

    1999-01-01

    Metals are one of the most widely used types of engineering materials. Some of their properties, e.g. elastic constants, can be directly related to the nature of the metallic bonds between the atoms. On the other hand, macro- and $9 microstructural features of metals, such as point defects, dislocations, grain boundaries, and second phase particles, control their yield, flow, and fracture stress. Images of microstructural elements can be obtained by modern $9 imaging techniques. Modern computer aided methods can be further used to obtain a quantitative description of these microstructures. These methods take advantage of the progress made in recent years in the field of image processing, $9 mathematical morphology and quantitative stereology. Quantitative description of the microstructures are used for modeling processes taking place under the action of applied load at a given temperature and test (service) environment. $9 These model considerations can be illustrated on the example of an austenitic stainless...

  6. Investigation of optical properties of Ag: PMMA nanocomposite structures

    Science.gov (United States)

    Ponelyte, S.; Palevicius, A.; Guobiene, A.; Puiso, J.; Prosycevas, I.

    2010-05-01

    In the recent years fundamental research involving the nanodimensional materials has received enormous momentum for observing and understanding new types of plasmonic materials and their physical phenomena occurring in the nanoscale. Mechanical and optical properties of these polymer based nanocomposite structures depend not only on type, dimensions and concentration of filler material, but also on a kind of polymer matrix used. By proper selection of polymer matrix and nanofillers, it is possible to engineer nanocomposite materials with certain favorable properties. One of the most striking features of nanocomposite materials is that they can expose unique optical properties that are not intrinsic to natural materials. In these researches, nanocomposite structures were formed using polymer (PMMA) as a matrix, and silver nanoparticles as fillers. By hot embossing procedure a diffraction grating was imprinted on formed layers. The effect of UV exposure time on nanocomposite structures morphology, optical (diffraction effectiveness, absorbance) and mechanical properties was investigated. Results were confirmed by UV-VIS spectrometer, Laser Diffractometer, PMT- 3 and AFM. Investigations proposed new nanocomposite structures as plasmonic materials with improved optical and mechanical properties, which may be applied for a number of technological applications: micro-electro-mechanical devices, optical devices, various plasmonic sensors, or even in DNA nanotechnology.

  7. Unique negative permittivity of the pseudo conducting radial zinc oxide-poly(vinylidene fluoride) nanocomposite film: Enhanced dielectric and electromagnetic interference shielding properties

    Energy Technology Data Exchange (ETDEWEB)

    Aepuru, Radhamanohar [Department of Materials Engineering, Defence Institute of Advanced Technology, Girinagar, Pune 411025 (India); Bhaskara Rao, B.V.; Kale, S.N. [Department of Applied Physics, Defence Institute of Advanced Technology, Pune 411025 (India); Panda, H.S., E-mail: himanshusp@diat.ac.in [Department of Materials Engineering, Defence Institute of Advanced Technology, Girinagar, Pune 411025 (India)

    2015-11-01

    Flower like radial zinc oxide (RZnO) was prepared by using a facile solvothermal method and used to prepare poly(vinylidene fluoride) (PVDF) based nanocomposites. Structural informations of the samples are analyzed by X-ray diffraction and correlated with high resolution transmission electron microscopy along with high annular angular dark field scanning transmission electron microscopy (HAADF-STEM). For the first time, stability studies are carried out by solvent relaxation nuclear magnetic resonance experiments. Dielectric studies of the PVDF and PVDF-RZnO nanocomposites are reported over the wide range of frequency (0.01 Hz–1 MHz) and temperature (25–90 °C). Dielectric property of the PVDF-RZnO nanocomposites was significantly improved wrt filler percentage in PVDF. Unique negative permittivity was observed in the composites having higher filler content (>40 wt%) typically at low frequencies. First time, it is observed that the higher RZnO content in PVDF results the formation of pseudo conducting network and hence improved the electromagnetic shielding efficiency (85%) than PVDF and PVDF-commercial ZnO composites. - Highlights: • Radial ZnO-PVDF nanocomposites were fabricated by using solution casting. • Pseudo conducting network is confirmed through cryo-fracture morphology study. • Stability study of the nano fillers was performed in the polymer matrix. • Unique negative permittivity behavior of the nanocomposites was observed. • EMI shielding property of the radial ZnO-PVDF nanocomposites was performed.

  8. Morchella tomentosa: a unique belowground structure and a new clade of morels

    Science.gov (United States)

    Franck O.P. Stefani; Serge Sokolski; Trish L. Wurtz; Yves Piché; Richard C. Hamelin; J. André Fortin; Jean A. Bérubé

    2010-01-01

    Mechanisms involved in post-fire morel fructification remain unclear. A new undescribed belowground vegetative structure of Marchella tomentosa in a burned boreal forest was investigated north of Fairbanks, Alaska. The name "radiscisclerotium" is proposed to define this peculiar and elaborate belowground vegetative structure of ...

  9. The complete genome sequence of Bacillus velezensis strain GH1-13 reveals agriculturally beneficial properties and a unique plasmid.

    Science.gov (United States)

    Kim, Sang Yoon; Song, Hajin; Sang, Mee Kyung; Weon, Hang-Yeon; Song, Jaekyeong

    2017-10-10

    The bacterial strain Bacillus velezensis GH1-13, isolated from rice paddy soil in Korea, has been shown to promote plant growth and have strong antagonistic activities against pathogens. Here, we report the complete genome sequence of GH1-13, revealing that it possesses a single 4,071,980-bp circular chromosome with 46.2% GC-content. The chromosome encodes 3,930 genes, and we have also identified a unique plasmid in the strain that encodes a further 104 genes (71,628bp and 31.7% GC-content). The genome was found to contain various enzyme-encoding operons, including indole-3-acetic acid (IAA) biosynthesis proteins, 2,3-butanediol dehydrogenase, various non-ribosomal peptide synthetases, and several polyketide synthases. These properties are responsible for the promotion of plant growth and the biosynthesis of secondary metabolites. They therefore have multiple beneficial effects that could be applied to agriculture. Through curing, we found that the unique plasmid of GH1-13 has important roles in the production of phytohormones, such as IAA, and in shaping phenotypic and physiological characteristics. The plasmid therefore likely influences the biological activities of GH1-13. The complete genome sequence of B. velezensis GH1-13 contributes to our understanding of this beneficial strain and will encourage research into its development for agricultural or biotechnological applications, enhancing productivity and crop quality. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. STRUCTURAL AND THERMOPHYSICAL PROPERTIES OF HARDENING CONCRETE

    Directory of Open Access Journals (Sweden)

    L. Krasulina

    2012-01-01

    Full Text Available Structural and thermophysical properties of thermally treated concrete have been studied in the paper. The paper demonstrates regularities of changes in structural and thermophysical properties of concrete during heat treatment process. It is established that stabilization of coefficient values for heat- and temperature conductivity of concrete corresponds to completion of the process pertaining to intensive formation of the material pore structure and indicates the possibility of transition from the stage of isothermal extraction to the stage of temperature decrease. The obtained results are confirmed by studies of strength growth kinetics of concrete samples.

  11. Structural and physicochemical properties of polar lipids from thermophilic archaea.

    Science.gov (United States)

    Ulrih, Natasa Poklar; Gmajner, Dejan; Raspor, Peter

    2009-08-01

    The essential general features required for lipid membranes of extremophilic archaea to fulfill biological functions are that they are in the liquid crystalline phase and have extremely low permeability of solutes that is much less temperature sensitive due to a lack of lipid-phase transition and highly branched isoprenoid chains. Many accumulated data indicate that the organism's response to extremely low pH is the opposite of that to high temperature. The high temperature adaptation does not require the tetraether lipids, while the adaptation of thermophiles to acidic environment requires the tetraether polar lipids. The presence of cyclopentane rings and the role of polar heads are not so straightforward regarding the correlations between fluidity and permeability of the lipid membrane. Due to the unique lipid structures and properties of archaeal lipids, they are a valuable resource in the development of novel biotechnological processes. This microreview focuses primarily on structural and physicochemical properties of polar lipids of (hyper)thermophilic archaea.

  12. Identification of material properties of sandwich structure with piezoelectric patches

    Directory of Open Access Journals (Sweden)

    Zemčík R.

    2008-11-01

    Full Text Available The work focuses on light-weight sandwich structures made of carbon-epoxy skins and foam core which have unique bending stiffness compared to conventional materials. The skins are manufactured by vacuum autoclave technology from unidirectional prepregs and the sandwich is then glued together. The resulting material properties of the structure usually differ from those provided by manufacturer or even those obtained from experimental tests on separate materials, which makes computational models unreliable. Therefore, the properties are identified using the combination of experimental analysis of the sandwich with attached piezoelectric transducer and corresponding static and modal finite element analyses. Simple mathematical optimization with repetitive finite element solution is used. The model is then verified by transient analysis when the piezoelectric patch is excited by harmonic signals covering the first two eigen-frequencies and the induced oscillations are measured by laser sensor.

  13. Micro-nano hierarchically structured nylon 6,6 surfaces with unique wettability.

    Science.gov (United States)

    Zhang, Liang; Zhang, Xiaoyan; Dai, Zhen; Wu, Junjie; Zhao, Ning; Xu, Jian

    2010-05-01

    A micro-nano hierarchically structured nylon 6,6 surface was easily fabricated by phase separation. Nylon 6,6 plate was swelled by formic acid and then immersed in a coagulate bath to precipitate. Micro particles with nano protrusions were generated and linked together covering over the surface. After dried up, the as-formed surface showed superhydrophilic ability. Inspired by lotus only employing 2-tier structure and ordinary plant wax to maintain superhydrophobicity, paraffin wax, a low surface energy material, was used to modify the hierarchically structured nylon 6,6 surface. The resultant surface had water contact angle (CA) of 155.2+/-1.3 degrees and a low sliding angle. The whole process was carried on under ambient condition and only need a few minutes. Copyright 2010 Elsevier Inc. All rights reserved.

  14. Using non-invasive molecular spectroscopic techniques to detect unique aspects of protein Amide functional groups and chemical properties of modeled forage from different sourced-origins.

    Science.gov (United States)

    Ji, Cuiying; Zhang, Xuewei; Yu, Peiqiang

    2016-03-05

    The non-invasive molecular spectroscopic technique-FT/IR is capable to detect the molecular structure spectral features that are associated with biological, nutritional and biodegradation functions. However, to date, few researches have been conducted to use these non-invasive molecular spectroscopic techniques to study forage internal protein structures associated with biodegradation and biological functions. The objectives of this study were to detect unique aspects and association of protein Amide functional groups in terms of protein Amide I and II spectral profiles and chemical properties in the alfalfa forage (Medicago sativa L.) from different sourced-origins. In this study, alfalfa hay with two different origins was used as modeled forage for molecular structure and chemical property study. In each forage origin, five to seven sources were analyzed. The molecular spectral profiles were determined using FT/IR non-invasive molecular spectroscopy. The parameters of protein spectral profiles included functional groups of Amide I, Amide II and Amide I to II ratio. The results show that the modeled forage Amide I and Amide II were centered at 1653 cm(-1) and 1545 cm(-1), respectively. The Amide I spectral height and area intensities were from 0.02 to 0.03 and 2.67 to 3.36 AI, respectively. The Amide II spectral height and area intensities were from 0.01 to 0.02 and 0.71 to 0.93 AI, respectively. The Amide I to II spectral peak height and area ratios were from 1.86 to 1.88 and 3.68 to 3.79, respectively. Our results show that the non-invasive molecular spectroscopic techniques are capable to detect forage internal protein structure features which are associated with forage chemical properties. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. HOW SME UNIQUENESS AFFECTS CAPITAL STRUCTURE: EVIDENCE FROM A 1994-1998 SPANISH DATA PANEL

    OpenAIRE

    Francisco Sogorb- Mira

    2002-01-01

    The principal aim of this paper is to test how firm characteristics affect Small and Medium Enterprise (SME) capital structure. We carry out an empirical analysis over a panel data of 6482 non?financial Spanish SMEs along the five-year period 1994?1998, modelling the leverage ratio as a function of firm specific attributes hypothesized by capital structure theory. Our results suggest that non?debt tax shields and profitability are both negatively related to SME leverage, while size, growth op...

  16. Unique sail-like structure of cor triatriatum dexter in three-dimensional echocardiogram.

    Science.gov (United States)

    Low, Ting Ting; Uy, Celia Catherine C; Wong, Raymond Ching Chiew

    2014-08-01

    Cor triatriatum dexter (CTD) is an extremely rare congenital condition arising from the persistence of the right valve of the sinus venosus. It divides the right atrium (RA) into 2 separate chambers. We report a case of a 50-year-old man who had an incidental finding of CTD on transesophageal echocardiogram. An incomplete membrane of the RA was seen, and three-dimensional echocardiogram delineated the structure clearly as a triangular sail-like structure with multiple orifices and a fenestration. © 2013, Wiley Periodicals, Inc.

  17. Highly leukemogenic radiation leukemia virus isolate is a thymotropic, immunosuppressive retrovirus with a unique RNA structure

    Energy Technology Data Exchange (ETDEWEB)

    Ben David, Y.; Kotler, M.; Yefenof, E.

    1987-04-15

    Clones of N-, B- and NB-fibrotropic viruses were isolated from weakly (D-RadLV) and strongly (A-RadLV) leukomogenic RadLV preparations. A highly leukemogenic, thymotropic virus (TV) was isolated by ex-vivo infection of thymocytes with A-RadLV. This virus could not be isolated from D-RadLV. Two-dimensional fingerprint analysis suggested that TV recombines unique RNA sequences with RNA genomic material derived from a B-tropic endogenous virus. C57BL/6 (B6) mice injected with B- or NB-fibrotropic clones, but not with TV or N-tropic viral clones, developed reactive T lymphocytes (Tr), capable of differentiating into anti-tumor cytotoxic cells. The N-tropic virus isolates were non-immunogenic in B6 mice whereas the TV isolate induced suppressor T lymphocytes (Ts) that abrogated a potential Tr response. These results suggest that emergence of highly leukemogenic RadLV involves activation of endogenous fibrotropic virus which is immunogenic in its natural host strain (B6). This virus can further recombine with other retroviral genetic sequences, resulting in a suppressogenic and thymotropic, highly leukemogenic virus.

  18. F-Type Lectins: A Highly Diversified Family of Fucose-Binding Proteins with a Unique Sequence Motif and Structural Fold, Involved in Self/Non-Self-Recognition

    Directory of Open Access Journals (Sweden)

    Gerardo R. Vasta

    2017-11-01

    Full Text Available The F-type lectin (FTL family is one of the most recent to be identified and structurally characterized. Members of the FTL family are characterized by a fucose recognition domain [F-type lectin domain (FTLD] that displays a novel jellyroll fold (“F-type” fold and unique carbohydrate- and calcium-binding sequence motifs. This novel lectin family comprises widely distributed proteins exhibiting single, double, or greater multiples of the FTLD, either tandemly arrayed or combined with other structurally and functionally distinct domains, yielding lectin subunits of pleiotropic properties even within a single species. Furthermore, the extraordinary variability of FTL sequences (isoforms that are expressed in a single individual has revealed genetic mechanisms of diversification in ligand recognition that are unique to FTLs. Functions of FTLs in self/non-self-recognition include innate immunity, fertilization, microbial adhesion, and pathogenesis, among others. In addition, although the F-type fold is distinctive for FTLs, a structure-based search revealed apparently unrelated proteins with minor sequence similarity to FTLs that displayed the FTLD fold. In general, the phylogenetic analysis of FTLD sequences from viruses to mammals reveals clades that are consistent with the currently accepted taxonomy of extant species. However, the surprisingly discontinuous distribution of FTLDs within each taxonomic category suggests not only an extensive structural/functional diversification of the FTLs along evolutionary lineages but also that this intriguing lectin family has been subject to frequent gene duplication, secondary loss, lateral transfer, and functional co-option.

  19. Data base on structural materials aging properties

    International Nuclear Information System (INIS)

    Oland, C.B.

    1992-01-01

    The US Nuclear Regulatory Commission has initiated a Structural Aging Program at the Oak Ridge National Laboratory to identify potential structural safety issues related to continued service of nuclear power plants and to establish criteria for evaluating and resolving these issues. One of the tasks in this program focuses on the establishment of a Structural Materials Information Center where long-term and environment-dependent properties of concretes and other structural materials are being collected and assembled into a data base. These properties will be used to evaluate the current condition of critical structural components in nuclear power plants and to estimate the future performance of these materials during the continued service period

  20. O'nyong nyong virus molecular determinants of unique vector specificity reside in non-structural protein 3.

    Directory of Open Access Journals (Sweden)

    Kali D Saxton-Shaw

    Full Text Available O'nyong nyong virus (ONNV and Chikungunya virus (CHIKV are two closely related alphaviruses with very different infection patterns in the mosquito, Anopheles gambiae. ONNV is the only alphavirus transmitted by anopheline mosquitoes, but specific molecular determinants of infection of this unique vector specificity remain unidentified. Fifteen distinct chimeric viruses were constructed to evaluate both structural and non-structural regions of the genome and infection patterns were determined through artificial infectious feeds in An. gambiae with each of these chimeras. Only one region, non-structural protein 3 (nsP3, was sufficient to up-regulate infection to rates similar to those seen with parental ONNV. When ONNV non-structural protein 3 (nsP3 replaced nsP3 from CHIKV virus in one of the chimeric viruses, infection rates in An. gambiae went from 0% to 63.5%. No other single gene or viral region addition was able to restore infection rates. Thus, we have shown that a non-structural genome element involved in viral replication is a major element involved in ONNV's unique vector specificity.

  1. Unique mosaicism of structural chromosomal rearrangement: is chromosome 18 preferentially involved?

    NARCIS (Netherlands)

    Pater, J.M. de; Smeets, D.F.C.M.; Scheres, J.M.J.C.

    2003-01-01

    The mentally normal mother of a 4-year-old boy with del(18)(q21.3) syndrome was tested cytogenetically to study the possibility of an inherited structural rearrangement of chromosome 18. She was found to carry an unusual mosaicism involving chromosomes 18 and 21. Two unbalanced cell lines were seen

  2. Unique Cell Adhesion and Invasion Properties of Yersinia enterocolitica O:3, the Most Frequent Cause of Human Yersiniosis

    Science.gov (United States)

    Uliczka, Frank; Pisano, Fabio; Schaake, Julia; Stolz, Tatjana; Rohde, Manfred; Fruth, Angelika; Strauch, Eckhard; Skurnik, Mikael; Batzilla, Julia; Rakin, Alexander; Heesemann, Jürgen; Dersch, Petra

    2011-01-01

    Many enteric pathogens are equipped with multiple cell adhesion factors which are important for host tissue colonization and virulence. Y. enterocolitica, a common food-borne pathogen with invasive properties, uses the surface proteins invasin and YadA for host cell binding and entry. In this study, we demonstrate unique cell adhesion and invasion properties of Y. enterocolitica serotype O:3 strains, the most frequent cause of human yersiniosis, and show that these differences are mainly attributable to variations affecting the function and expression of invasin in response to temperature. In contrast to other enteric Yersinia strains, invasin production in O:3 strains is constitutive and largely enhanced compared to other Y. enterocolitica serotypes, in which invA expression is temperature-regulated and significantly reduced at 37°C. Increase of invasin levels is caused by (i) an IS1667 insertion into the invA promoter region, which includes an additional promoter and RovA and H-NS binding sites, and (ii) a P98S substitution in the invA activator protein RovA rendering the regulator less susceptible to proteolysis. Both variations were shown to influence bacterial colonization in a murine infection model. Furthermore, we found that co-expression of YadA and down-regulation of the O-antigen at 37°C is required to allow efficient internalization by the InvA protein. We conclude that even small variations in the expression of virulence factors can provoke a major difference in the virulence properties of closely related pathogens which may confer better survival or a higher pathogenic potential in a certain host or host environment. PMID:21750675

  3. Optical properties of the semiconductor quantum structure

    International Nuclear Information System (INIS)

    Haratizadeh, H.; Holtz, P.O.; Monemar, B.; Karlsoon, K.F.; Moskalenko, E.S.; Amano, H.; Akasaki, I.; Schoenfeld, W.V.; Garcia, J.M.; Petroff, P.M.

    2004-01-01

    Optical properties of the quantum structures have been discussed with emphasize of the AlGaN/GaN multiple quantum wells and InAs/GaAs quantum dot structures. We report on a detailed study of low temperature photoluminescence in Al 0 .07Ga 0 .93 N/GaN multiple quantum wells. The structures were nominally undoped multiple quantum well grown on sapphire substrate. The structure from discrete well width variations is here resolved in photoluminescence spectra. The results demonstrate that the theoretically estimated fields in this work are consistent with the experimental spectra

  4. Unique Structural Modifications Are Present in the Lipopolysaccharide from Colistin-Resistant Strains of Acinetobacter baumannii

    Science.gov (United States)

    2013-10-01

    Selected reaction monitoring (SRM) studies were performed on a Thermo TSQ Quantum Ultra Triple Stage quadrupole mass spectrometer. The scans of the...well as a PmrC-dependent pEtN addition to the lipid A of E. coli O157:H7 (39). Surprisingly, the canine pathogen Capnocytophaga canimorsus and plant...variety of novel lipid A structures obtained from Francisella tula- rensis live vaccine strain. Innate Immun. 18:268 –278. 44. Balaji V, Jeremiah SS

  5. Human NOD2 Recognizes Structurally Unique Muramyl Dipeptides from Mycobacterium leprae.

    Science.gov (United States)

    Schenk, Mirjam; Mahapatra, Sebabrata; Le, Phuonganh; Kim, Hee Jin; Choi, Aaron W; Brennan, Patrick J; Belisle, John T; Modlin, Robert L

    2016-09-01

    The innate immune system recognizes microbial pathogens via pattern recognition receptors. One such receptor, NOD2, via recognition of muramyl dipeptide (MDP), triggers a distinct network of innate immune responses, including the production of interleukin-32 (IL-32), which leads to the differentiation of monocytes into dendritic cells (DC). NOD2 has been implicated in the pathogenesis of human leprosy, yet it is not clear whether Mycobacterium leprae, which has a distinct MDP structure, can activate this pathway. We investigated the effect of MDP structure on the innate immune response, finding that infection of monocytes with M. leprae induces IL-32 and DC differentiation in a NOD2-dependent manner. The presence of the proximal l-Ala instead of Gly in the common configuration of the peptide side chain of M. leprae did not affect recognition by NOD2 or cytokine production. Furthermore, amidation of the d-Glu residue did not alter NOD2 activation. These data provide experimental evidence that NOD2 recognizes naturally occurring structural variants of MDP. Copyright © 2016 Schenk et al.

  6. Structure and physical properties of bio membranes and model membranes

    International Nuclear Information System (INIS)

    Tibor Hianik

    2006-01-01

    Bio membranes belong to the most important structures of the cell and the cell organelles. They play not only structural role of the barrier separating the external and internal part of the membrane but contain also various functional molecules, like receptors, ionic channels, carriers and enzymes. The cell membrane also preserves non-equilibrium state in a cell which is crucial for maintaining its excitability and other signaling functions. The growing interest to the bio membranes is also due to their unique physical properties. From physical point of view the bio membranes, that are composed of lipid bilayer into which are incorporated integral proteins and on their surface are anchored peripheral proteins and polysaccharides, represent liquid s crystal of smectic type. The bio membranes are characterized by anisotropy of structural and physical properties. The complex structure of bio membranes makes the study of their physical properties rather difficult. Therefore several model systems that mimic the structure of bio membranes were developed. Among them the lipid monolayers at an air-water interphase, bilayer lipid membranes, supported bilayer lipid membranes and liposomes are most known. This work is focused on the introduction into the physical word of the bio membranes and their models. After introduction to the membrane structure and the history of its establishment, the physical properties of the bio membranes and their models are stepwise presented. The most focus is on the properties of lipid monolayers, bilayer lipid membranes, supported bilayer lipid membranes and liposomes that were most detailed studied. This lecture has tutorial character that may be useful for undergraduate and graduate students in the area of biophysics, biochemistry, molecular biology and bioengineering, however it contains also original work of the author and his co-worker and PhD students, that may be useful also for specialists working in the field of bio membranes and model

  7. Multiphase composite coatings: structure and properties

    International Nuclear Information System (INIS)

    Yurov, V M; Guchenko, S A; Platonova, E S; Syzdykova, A Sh; Lysenko, E N

    2015-01-01

    The paper discusses the results of the research into the formation of ion-plasma multiphase coatings. The types of the formed structures are found to be not so diverse, as those formed, for example, in alloy crystallization. The structures observed are basically of globular type and, more rarely, of unclosed dissipative and cellular structures. It is shown that the properties of the coating formed in deposition are largely determined by its surface energy or surface tension. Since the magnitude of the surface tension (surface energy) in most cases is an additive quantity, each of the elements of the coating composition contributes to the total surface energy. In case of simultaneous sputtering of multiphase cathodes, high entropy coatings with an ordered cellular structure and improved mechanical properties are formed. (paper)

  8. Structural, Bioinformatic, and In Vivo Analyses of Two Treponema pallidum Lipoproteins Reveal a Unique TRAP Transporter

    Energy Technology Data Exchange (ETDEWEB)

    Deka, Ranjit K.; Brautigam, Chad A.; Goldberg, Martin; Schuck, Peter; Tomchick, Diana R.; Norgard, Michael V. (NIH); (UTSMC)

    2012-05-25

    Treponema pallidum, the bacterial agent of syphilis, is predicted to encode one tripartite ATP-independent periplasmic transporter (TRAP-T). TRAP-Ts typically employ a periplasmic substrate-binding protein (SBP) to deliver the cognate ligand to the transmembrane symporter. Herein, we demonstrate that the genes encoding the putative TRAP-T components from T. pallidum, tp0957 (the SBP), and tp0958 (the symporter), are in an operon with an uncharacterized third gene, tp0956. We determined the crystal structure of recombinant Tp0956; the protein is trimeric and perforated by a pore. Part of Tp0956 forms an assembly similar to those of 'tetratricopeptide repeat' (TPR) motifs. The crystal structure of recombinant Tp0957 was also determined; like the SBPs of other TRAP-Ts, there are two lobes separated by a cleft. In these other SBPs, the cleft binds a negatively charged ligand. However, the cleft of Tp0957 has a strikingly hydrophobic chemical composition, indicating that its ligand may be substantially different and likely hydrophobic. Analytical ultracentrifugation of the recombinant versions of Tp0956 and Tp0957 established that these proteins associate avidly. This unprecedented interaction was confirmed for the native molecules using in vivo cross-linking experiments. Finally, bioinformatic analyses suggested that this transporter exemplifies a new subfamily of TPATs (TPR-protein-associated TRAP-Ts) that require the action of a TPR-containing accessory protein for the periplasmic transport of a potentially hydrophobic ligand(s).

  9. 4.0-A resolution cryo-EM structure of the mammalian chaperonin TRiC/CCT reveals its unique subunit arrangement.

    Science.gov (United States)

    Cong, Yao; Baker, Matthew L; Jakana, Joanita; Woolford, David; Miller, Erik J; Reissmann, Stefanie; Kumar, Ramya N; Redding-Johanson, Alyssa M; Batth, Tanveer S; Mukhopadhyay, Aindrila; Ludtke, Steven J; Frydman, Judith; Chiu, Wah

    2010-03-16

    The essential double-ring eukaryotic chaperonin TRiC/CCT (TCP1-ring complex or chaperonin containing TCP1) assists the folding of approximately 5-10% of the cellular proteome. Many TRiC substrates cannot be folded by other chaperonins from prokaryotes or archaea. These unique folding properties are likely linked to TRiC's unique heterooligomeric subunit organization, whereby each ring consists of eight different paralogous subunits in an arrangement that remains uncertain. Using single particle cryo-EM without imposing symmetry, we determined the mammalian TRiC structure at 4.7-A resolution. This revealed the existence of a 2-fold axis between its two rings resulting in two homotypic subunit interactions across the rings. A subsequent 2-fold symmetrized map yielded a 4.0-A resolution structure that evinces the densities of a large fraction of side chains, loops, and insertions. These features permitted unambiguous identification of all eight individual subunits, despite their sequence similarity. Independent biochemical near-neighbor analysis supports our cryo-EM derived TRiC subunit arrangement. We obtained a Calpha backbone model for each subunit from an initial homology model refined against the cryo-EM density. A subsequently optimized atomic model for a subunit showed approximately 95% of the main chain dihedral angles in the allowable regions of the Ramachandran plot. The determination of the TRiC subunit arrangement opens the way to understand its unique function and mechanism. In particular, an unevenly distributed positively charged wall lining the closed folding chamber of TRiC differs strikingly from that of prokaryotic and archaeal chaperonins. These interior surface chemical properties likely play an important role in TRiC's cellular substrate specificity.

  10. Effect of geometry structure on critical properties

    Science.gov (United States)

    Jiang, Qing; Jiang, Xue-fan

    1997-02-01

    The effective-field renormalization group (EFRG) scheme is utilized to compute critical properties of the transverse Ising model (TIM) in a quantum-spin system. We distinguish differences between lattices of the same coordination number but of different structures and take effects of the first fluctuation correction into account. The improved results for the critical transverse field are obtained for several lattice structures even by considering the smallest possible cluster, which is in good agreement with series results.

  11. Syndecans as cell surface receptors: Unique structure equates with functional diversity

    DEFF Research Database (Denmark)

    Choi, Youngsil; Chung, Heesung; Jung, Heyjung

    2011-01-01

    An increasing number of functions for syndecan cell surface heparan sulfate proteoglycans have been proposed over the last decade. Moreover, aberrant syndecan regulation has been found to play a critical role in multiple pathologies, including cancers, as well as wound healing and inflammation....... As receptors, they have much in common with other molecules on the cell surface. Syndecans are type I transmembrane molecules with cytoplasmic domains that link to the actin cytoskeleton and can interact with a number of regulators. However, they are also highly complex by virtue of their external...... glycosaminoglycan chains, especially heparan sulfate. This heterodisperse polysaccharide has the potential to interact with many ligands from diverse protein families. Here, we relate the structural features of syndecans to some of their known functions....

  12. Novel Fluorinated Indanone, Tetralone and Naphthone Derivatives: Synthesis and Unique Structural Features

    Directory of Open Access Journals (Sweden)

    Joseph C. Sloop

    2012-02-01

    Full Text Available Several fluorinated and trifluoromethylated indanone, tetralone and naphthone derivatives have been prepared via Claisen condensations and selective fluorinations in yields ranging from 22–60%. In addition, we report the synthesis of new, selectively fluorinated bindones in yields ranging from 72–92%. Of particular interest is the fluorination and trifluoroacetylation regiochemistry observed in these fluorinated products. We also note unusual transformations including a novel one pot, dual trifluoroacetylation, trifluoroacetylnaphthone synthesis via a deacetylation as well as an acetyl-trifluoroacetyl group exchange. Solid-state structural features exhibited by these compounds were investigated using crystallographic methods. Crystallographic results, supported by spectroscopic data, show that trifluoroacetylated ketones prefer a chelated cis-enol form whereas fluorinated bindone products exist primarily as the cross-conjugated triketo form.

  13. Unique Path Partitions

    DEFF Research Database (Denmark)

    Bessenrodt, Christine; Olsson, Jørn Børling; Sellers, James A.

    2013-01-01

    We give a complete classification of the unique path partitions and study congruence properties of the function which enumerates such partitions.......We give a complete classification of the unique path partitions and study congruence properties of the function which enumerates such partitions....

  14. Structure and properties of interfaces in ceramics

    International Nuclear Information System (INIS)

    Bonnell, D.; Ruehle, M.; Chowdhry, U.

    1995-01-01

    The motivation for the symposium was the observation that interfaces in crystallographically and compositionally complex systems often dictate the performance and reliability of devices that utilize functional ceramics. The current level of understanding of interface-property relations in silicon-based devices required over 30 years of intensive research. Similar issues influence the relationship between atomic bonding at interfaces and properties in functional ceramic systems. The current understanding of these complex interfaces does not allow correlation between atomic structure and interface properties, in spite of their importance to a number of emerging technologies (wireless communications, radar-based positioning systems, sensors, etc.). The objective of this symposium was to focus attention on these fundamental issues by featuring recent theoretical and experimental work from various disciplines that impact the understanding of interface chemistry, structure, and properties. The emphasis was on relating properties of surfaces and interfaces to structure through an understanding of atomic level phenomena. Interfaces of interest include metal/ceramic, ceramic/ceramic, ceramic/vapor, etc., in electronic, magnetic, optical, ferroelectric, piezoelectric, and dielectric applications. Sixty one papers have been processed separately for inclusion on the data base

  15. Structural properties of Cd–Co ferrites

    Indian Academy of Sciences (India)

    36, No. 5, October 2013, pp. 919–922. c Indian Academy of Sciences. Structural properties of Cd–Co ferrites. S P DALAWAIa,∗. , T J SHINDEb, A B GADKARIc and P N VASAMBEKARa. aDepartment of Electronics, Shivaji University, Kolhapur 416 004, India. bDepartment of Physics, KRP Kanya Mahavidyalaya, Islampur ...

  16. Structural stability properties of Friedman cosmology

    International Nuclear Information System (INIS)

    Szydlowski, M.; Heller, M.; Pontificial Academy of Cracow, Krakow; Golda, Z.

    1984-01-01

    A dynamical system with Robertson-Walker symmetries and the equation of the state p = γepsilon, O <= γ <= 1, considered both as a conservative and nonconservative system, is studied with respect to its structural properties. Different cases are shown and analyzed on the phase space (x = Rsup(D), γ = (dx/dt)). (author)

  17. Diamond nanowires: fabrication, structure, properties, and applications.

    Science.gov (United States)

    Yu, Yuan; Wu, Liangzhuan; Zhi, Jinfang

    2014-12-22

    C(sp(3) )C-bonded diamond nanowires are wide band gap semiconductors that exhibit a combination of superior properties such as negative electron affinity, chemical inertness, high Young's modulus, the highest hardness, and room-temperature thermal conductivity. The creation of 1D diamond nanowires with their giant surface-to-volume ratio enhancements makes it possible to control and enhance the fundamental properties of diamond. Although theoretical comparisons with carbon nanotubes have shown that diamond nanowires are energetically and mechanically viable structures, reproducibly synthesizing the crystalline diamond nanowires has remained challenging. We present a comprehensive, up-to-date review of diamond nanowires, including a discussion of their synthesis along with their structures, properties, and applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. New insights into the reduction systems of plastidial thioredoxins point out the unique properties of thioredoxin z from Arabidopsis.

    Science.gov (United States)

    Bohrer, Anne-Sophie; Massot, Vincent; Innocenti, Gilles; Reichheld, Jean-Philippe; Issakidis-Bourguet, Emmanuelle; Vanacker, Hélène

    2012-11-01

    In plants, thioredoxins (TRX) constitute a large protein disulphide oxidoreductase family comprising 10 plastidial members in Arabidopsis thaliana and subdivided in five types. The f- and m-types regulate enzymes involved mainly in carbon metabolism whereas the x, y, and z types have an antioxidant function. The reduction of TRXm and f in chloroplasts is performed in the light by ferredoxin:thioredoxin reductase (FTR) that uses photosynthetically reduced ferredoxin (Fd) as a reductant. The reduction system of Arabidopsis TRXx, y, and z has never been demonstrated. Recently, a gene encoding an atypical plastidial NADPH-dependent TRX reductase (NTRC) was found. In the present study, gene expression analysis revealed that both reductases are expressed in all organs of Arabidopsis and could potentially serve as electron donors to plastidial TRX. This ability was tested in vitro either with purified NTRC in presence of NADPH or with a light-driven reconstituted system comprising thylakoids and purified Fd and FTR. The results demonstrate that FTR reduces the x and y TRX isoforms but not the recently identified TRXz. Moreover, the results show that NTRC cannot be an efficient alternative reducing system, neither for TRXz nor for the other plastidial TRX. The data reveal that TRXf, m, x, and y, known as redox regulators in the chloroplast, have also the ability to reduce TRXz in vitro. Overall, the present study points out the unique properties of TRXz among plastidial TRX.

  19. Unique in vivo properties of olfactory ensheathing cells that may contribute to neural repair and protection following spinal cord injury

    Science.gov (United States)

    Kocsis, Jeffery D.; Lankford, Karen L.; Sasaki, Masanori; Radtke, Christine

    2009-01-01

    Olfactory ensheathing cells (OECs) are specialized glial cells that guide olfactory receptor axons from the nasal mucosa into the brain where they make synaptic contacts in the olfactory bulb. While a number of studies have demonstrated that in vivo transplantation of OECs into injured spinal cord results in improved functional outcome, precise cellular mechanisms underlying this improvement are not fully understood. Current thinking is that OECs can encourage axonal regeneration, provide trophic support for injured neurons and for angiogenesis, and remyelinate axons. However, Schwann cell (SC) transplantation also results in significant functional improvement in animal models of spinal cord injury. In culture SCs and OECs share a number of phenotypic properties such as expression of the low affinity NGF receptor (p75). An important area of research has been to distinguish potential differences in the in vivo behavior of OECs and SCs to determine if one cell type may offer greater advantage as a cellular therapeutic candidate. In this review we focus on several unique features of OECs when they are transplanted into the spinal cord. PMID:19429149

  20. Chordotonal organs in hemipteran insects: unique peripheral structures but conserved central organization revealed by comparative neuroanatomy.

    Science.gov (United States)

    Nishino, Hiroshi; Mukai, Hiromi; Takanashi, Takuma

    2016-12-01

    Hemipteran insects use sophisticated vibrational communications by striking body appendages on the substrate or by oscillating the abdominal tymbal. There has been, however, little investigation of sensory channels for processing vibrational signals. Using sensory nerve stainings and low invasive confocal analyses, we demonstrate the comprehensive neuronal mapping of putative vibration-responsive chordotonal organs (COs) in stink bugs (Pentatomidae and Cydinidae) and cicadas (Cicadidae). The femoral CO (FCO) in stink bugs consists of ventral and dorsal scoloparia, homologous to distal and proximal scoloparia in locusts, which are implicated in joint movement detection and vibration detection, respectively. The ligament of the dorsal scoloparium is distally attached to the accessory extensor muscle, whereas that of the ventral scoloparium is attached to a specialized tendon. Their afferents project to the dorso-lateral neuropil and the central region of the medial ventral association center (mVAC) in the ipsilateral neuromere, where presumed dorsal scoloparium afferents and subgenual organ afferents are largely intermingled. In contrast, FCOs in cicadas have decreased dorsal scoloparium neurons and lack projections to the mVAC. The tymbal CO of stink bugs contains four sensory neurons that are distally attached to fat body cells via a ligament. Their axons project intersegmentally to the dorsal region of mVACs in all neuromeres. Together with comparisons of COs in different insect groups, the results suggest that hemipteran COs have undergone structural modification for achieving faster signaling of resonating peripheral tissues. The conserved projection patterns of COs suggest functional importance of the FCO and subgenual organ for vibrational communications.

  1. Silver Matrix Composites - Structure and Properties

    Directory of Open Access Journals (Sweden)

    Wieczorek J.

    2016-03-01

    Full Text Available Phase compositions of composite materials determine their performance as well as physical and mechanical properties. Depending on the type of applied matrix and the kind, amount and morphology of the matrix reinforcement, it is possible to shape the material properties so that they meet specific operational requirements. In the paper, results of investigations on silver alloy matrix composites reinforced with ceramic particles are presented. The investigations enabled evaluation of hardness, tribological and mechanical properties as well as the structure of produced materials. The matrix of composite material was an alloy of silver and aluminium, magnesium and silicon. As the reinforcing phase, 20-60 μm ceramic particles (SiC, SiO2, Al2O3 and Cs were applied. The volume fraction of the reinforcing phase in the composites was 10%. The composites were produced using the liquid phase (casting technology, followed by plastic work (the KOBO method. The mechanical and tribological properties were analysed for plastic work-subjected composites. The mechanical properties were assessed based on a static tensile and hardness tests. The tribological properties were investigated under dry sliding conditions. The analysis of results led to determination of effects of the composite production technology on their performance. Moreover, a relationship between the type of reinforcing phase and the mechanical and tribological properties was established.

  2. Extensive genetic diversity, unique population structure and evidence of genetic exchange in the sexually transmitted parasite Trichomonas vaginalis.

    Directory of Open Access Journals (Sweden)

    Melissa D Conrad

    Full Text Available Trichomonas vaginalis is the causative agent of human trichomoniasis, the most common non-viral sexually transmitted infection world-wide. Despite its prevalence, little is known about the genetic diversity and population structure of this haploid parasite due to the lack of appropriate tools. The development of a panel of microsatellite makers and SNPs from mining the parasite's genome sequence has paved the way to a global analysis of the genetic structure of the pathogen and association with clinical phenotypes.Here we utilize a panel of T. vaginalis-specific genetic markers to genotype 235 isolates from Mexico, Chile, India, Australia, Papua New Guinea, Italy, Africa and the United States, including 19 clinical isolates recently collected from 270 women attending New York City sexually transmitted disease clinics. Using population genetic analysis, we show that T. vaginalis is a genetically diverse parasite with a unique population structure consisting of two types present in equal proportions world-wide. Parasites belonging to the two types (type 1 and type 2 differ significantly in the rate at which they harbor the T. vaginalis virus, a dsRNA virus implicated in parasite pathogenesis, and in their sensitivity to the widely-used drug, metronidazole. We also uncover evidence of genetic exchange, indicating a sexual life-cycle of the parasite despite an absence of morphologically-distinct sexual stages.Our study represents the first robust and comprehensive evaluation of global T. vaginalis genetic diversity and population structure. Our identification of a unique two-type structure, and the clinically relevant phenotypes associated with them, provides a new dimension for understanding T. vaginalis pathogenesis. In addition, our demonstration of the possibility of genetic exchange in the parasite has important implications for genetic research and control of the disease.

  3. Extensive genetic diversity, unique population structure and evidence of genetic exchange in the sexually transmitted parasite Trichomonas vaginalis.

    Science.gov (United States)

    Conrad, Melissa D; Gorman, Andrew W; Schillinger, Julia A; Fiori, Pier Luigi; Arroyo, Rossana; Malla, Nancy; Dubey, Mohan Lal; Gonzalez, Jorge; Blank, Susan; Secor, William E; Carlton, Jane M

    2012-01-01

    Trichomonas vaginalis is the causative agent of human trichomoniasis, the most common non-viral sexually transmitted infection world-wide. Despite its prevalence, little is known about the genetic diversity and population structure of this haploid parasite due to the lack of appropriate tools. The development of a panel of microsatellite makers and SNPs from mining the parasite's genome sequence has paved the way to a global analysis of the genetic structure of the pathogen and association with clinical phenotypes. Here we utilize a panel of T. vaginalis-specific genetic markers to genotype 235 isolates from Mexico, Chile, India, Australia, Papua New Guinea, Italy, Africa and the United States, including 19 clinical isolates recently collected from 270 women attending New York City sexually transmitted disease clinics. Using population genetic analysis, we show that T. vaginalis is a genetically diverse parasite with a unique population structure consisting of two types present in equal proportions world-wide. Parasites belonging to the two types (type 1 and type 2) differ significantly in the rate at which they harbor the T. vaginalis virus, a dsRNA virus implicated in parasite pathogenesis, and in their sensitivity to the widely-used drug, metronidazole. We also uncover evidence of genetic exchange, indicating a sexual life-cycle of the parasite despite an absence of morphologically-distinct sexual stages. Our study represents the first robust and comprehensive evaluation of global T. vaginalis genetic diversity and population structure. Our identification of a unique two-type structure, and the clinically relevant phenotypes associated with them, provides a new dimension for understanding T. vaginalis pathogenesis. In addition, our demonstration of the possibility of genetic exchange in the parasite has important implications for genetic research and control of the disease.

  4. Nanocomposites: synthesis, structure, properties and new application opportunities

    Directory of Open Access Journals (Sweden)

    Pedro Henrique Cury Camargo

    2009-03-01

    Full Text Available Nanocomposites, a high performance material exhibit unusual property combinations and unique design possibilities. With an estimated annual growth rate of about 25% and fastest demand to be in engineering plastics and elastomers, their potential is so striking that they are useful in several areas ranging from packaging to biomedical applications. In this unified overview the three types of matrix nanocomposites are presented underlining the need for these materials, their processing methods and some recent results on structure, properties and potential applications, perspectives including need for such materials in future space mission and other interesting applications together with market and safety aspects. Possible uses of natural materials such as clay based minerals, chrysotile and lignocellulosic fibers are highlighted. Being environmentally friendly, applications of nanocomposites offer new technology and business opportunities for several sectors of the aerospace, automotive, electronics and biotechnology industries.

  5. Chemical structure, network topology, and porosity effects on the mechanical properties of Zeolitic Imidazolate Frameworks

    OpenAIRE

    Tan, J. C.; Bennett, T. D.; Cheetham, A. K.

    2010-01-01

    The mechanical properties of seven zeolitic imidazolate frameworks (ZIFs) based on five unique network topologies have been systematically characterized by single-crystal nanoindentation studies. We demonstrate that the elastic properties of ZIF crystal structures are strongly correlated to the framework density and the underlying porosity. For the systems considered here, the elastic modulus was found to range from 3 to 10 GPa, whereas the hardness property lies between 300 MPa and 1.1 GPa. ...

  6. Structural properties of the self-conjugate SU(3) tensor operators

    International Nuclear Information System (INIS)

    Lohe, M.A.; Biedenharn, L.C.; Louck, J.D.

    1977-01-01

    Denominator functions for the set of self-conjugate SU(3) tensor operators are explicitly obtained and shown to be uniquely related to SU(3) -invariant structural properties. This relationship becomes manifest through the appearance of zeroes of the denominator functions which thereby express the fundamental null space properties of SU(3) tensor operators. It is demonstrated that there exist characteristic denominator functions whose zeroes, in position and multiplicity, possess the interesting, and unexpected, property of forming SU(3) weight space patterns

  7. Structure/property relationships in multipass GMA welding of beryllium.

    Energy Technology Data Exchange (ETDEWEB)

    Hochanadel, P. W. (Patrick W.); Hults, W. L. (William L.); Thoma, D. J. (Dan J.); Dave, V. R. (Vivek R.); Kelly, A. M. (Anna Marie); Pappin, P. A. (Pallas A.); Cola, M. J. (Mark J.); Burgardt, P. (Paul)

    2001-01-01

    Beryllium is an interesting metal that has a strength to weight ratio six times that of steel. Because of its unique mechanical properties, beryllium is used in aerospace applications such as satellites. In addition, beryllium is also used in x-ray windows because it is nearly transparent to x-rays. Joining of beryllium has been studied for decades (Ref.l). Typically joining processes include braze-welding (either with gas tungsten arc or gas metal arc), soldering, brazing, and electron beam welding. Cracking which resulted from electron beam welding was recently studied to provide structure/property relationships in autogenous welds (Ref. 2). Braze-welding utilizes a welding arc to melt filler, and only a small amount of base metal is melted and incorporated into the weld pool. Very little has been done to characterize the braze-weld in terms of the structure/property relationships, especially with reference to multipass welding. Thus, this investigation was undertaken to evaluate the effects of multiple passes on microstructure, weld metal composition, and resulting material properties for beryllium welded with aluminum-silicon filler metal.

  8. Structural properties of small rhodium clusters

    Energy Technology Data Exchange (ETDEWEB)

    Soon, Yee Yeen; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

    2015-04-24

    We report a systematic study of the structural properties of rhodium clusters at the atomistic level. A novel global-minimum search algorithm, known as parallel tempering multicanonical basin hopping plus genetic algorithm (PTMBHGA), is used to obtain the geometrical structures with lowest minima at the semi-empirical level where Gupta potential is used to describe the atomic interaction among the rhodium atoms. These structures are then re-optimized at the density functional theory (DFT) level with exchange-correlation energy approximated by Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA). The structures are optimized for different spin multiplicities. The ones with lowest energies will be taken as ground-state structures. In most cases, we observe only minor changes in the geometry and bond length of the clusters as a result of DFT-level re-optimization. Only in some limited cases, the initial geometries obtained from the PTMBHGA are modified by the re-optimization. The variation of structural properties, such as ground-state geometry, symmetry and binding energy, with respect to the cluster size is studied and agreed well with other results available in the literature.

  9. Nucleon structure and properties of dense matter

    International Nuclear Information System (INIS)

    Kutschera, M.; Pethick, C.J.; Illinois Univ., Urbana, IL

    1988-01-01

    We consider the properties of dense matter in a framework of the Skyrme soliton model and the chiral bag model. The influence of the nucleon structure on the equation of state of dense matter is emphasized. We find that in both models the energy per unit volume is proportional to n 4/3 , n being the baryon number density. We discuss the properties of neutron stars with a derived equation of state. The role of many-body effects is investigated. The effect of including higher order terms in the chiral lagrangian is examined. The phase transition to quark matter is studied. 29 refs., 6 figs. (author)

  10. Crystal structure of lactose permease in complex with an affinity inactivator yields unique insight into sugar recognition

    Energy Technology Data Exchange (ETDEWEB)

    Chaptal, Vincent; Kwon, Seunghyug; Sawaya, Michael R.; Guan, Lan; Kaback, H. Ronald; Abramson, Jeff (UCLA); (TTU)

    2011-08-29

    Lactose permease of Escherichia coli (LacY) with a single-Cys residue in place of A122 (helix IV) transports galactopyranosides and is specifically inactivated by methanethiosulfonyl-galactopyranosides (MTS-gal), which behave as unique suicide substrates. In order to study the mechanism of inactivation more precisely, we solved the structure of single-Cys122 LacY in complex with covalently bound MTS-gal. This structure exhibits an inward-facing conformation similar to that observed previously with a slight narrowing of the cytoplasmic cavity. MTS-gal is bound covalently, forming a disulfide bond with C122 and positioned between R144 and W151. E269, a residue essential for binding, coordinates the C-4 hydroxyl of the galactopyranoside moiety. The location of the sugar is in accord with many biochemical studies.

  11. Definition and properties of ideal amorphous structures

    International Nuclear Information System (INIS)

    Stachurski, Z.H.

    2002-01-01

    Full text: Amorphous structure is usually defined by what it is not (ie, no crystalline peaks in XRS, no bond correlation in NMR), rather than by what it is. The interest in defining the structure of non-crystalline materials is long standing; packing geometry of spheres, molecular structure of glassy SiO 2 , or the structure of atactic polymers are prime examples. The earliest definitions of amorphous structure were in terms of a microcrystallite model of Valenkov, or continuous random network by Zachariasen. The random close packing of spheres of equal size, and an amorphous structure, composed of freely jointed linear chains of hard spheres, has been described mathematically in terms of a linear homogeneous Poisson process. This paper aims to describe some geometrical, kinematic, and topological properties of these two ideal amorphous structures, which belong to the same amorphous class. The geometry of packing is elucidated, and the use of Voronoi tessellation method for measuring the structures is described. The ideal amorphous solid has no symmetry elements; its volume can not be divided into identical unit cells. However, there is a volume element small enough to allow the distinction of its nanoscopic inhomogeneities, and sufficiently large enough to represent, accurately the overall behaviour. We define this volume element, the representative volume element. Suitable boundary conditions must be prescribed for a choice of RVE, and satisfy certain requirements. Topologically, a catchment region on the Born-Oppenheimer potential energy surface over nuclear configuration space, is defined by Mezey and Bader as an energetically stable geometry of the open region of R 3 traversed by all the trajectories which terminate at a local maximum. Two topological properties will be described: (i) the boundaries of the catchment region as a direct geometrical correspondence to the Voronoi polyhedron for a given atom in a given structure, and (ii) the constriction points

  12. Freeze-Casting of Porous Biomaterials: Structure, Properties and Opportunities

    Directory of Open Access Journals (Sweden)

    Sylvain Deville

    2010-03-01

    Full Text Available The freeze-casting of porous materials has received a great deal of attention during the past few years. This simple process, where a material suspension is simply frozen and then sublimated, provides materials with unique porous architectures, where the porosity is almost a direct replica of the frozen solvent crystals. This review focuses on the recent results on the process and the derived porous structures with regards to the biomaterials applications. Of particular interest is the architecture of the materials and the versatility of the process, which can be readily controlled and applied to biomaterials applications. A careful control of the starting formulation and processing conditions is required to control the integrity of the structure and resulting properties. Further in vitro and in vivo investigations are required to validate the potential of this new class of porous materials.

  13. Synthesis, Structure, and Properties of Refractory Hard-Metal Borides

    Science.gov (United States)

    Lech, Andrew Thomas

    As the limits of what can be achieved with conventional hard compounds, such as tungsten carbide, are nearing reach, super-hard materials are an area of increasing industrial interest. The refractory hard metal borides, such as ReB2 and WB4, offer an increasingly attractive alternative to diamond and cubic boron nitride as a next-generation tool material. In this Thesis, a thorough discussion is made of the progress achieved by our laboratory towards understanding the synthesis, structure, and properties of these extremely hard compounds. Particular emphasis is placed on structural manipulation, solid solution formation, and the unique crystallographic manifestations of what might also be called "super-hard metals".

  14. Enabling cell-cell communication via nanopore formation: structure, function and localization of the unique cell wall amidase AmiC2 of Nostoc punctiforme.

    Science.gov (United States)

    Büttner, Felix M; Faulhaber, Katharina; Forchhammer, Karl; Maldener, Iris; Stehle, Thilo

    2016-04-01

    To orchestrate a complex life style in changing environments, the filamentous cyanobacterium Nostoc punctiforme facilitates communication between neighboring cells through septal junction complexes. This is achieved by nanopores that perforate the peptidoglycan (PGN) layer and traverse the cell septa. The N-acetylmuramoyl-l-alanine amidase AmiC2 (Npun_F1846; EC 3.5.1.28) in N. punctiforme generates arrays of such nanopores in the septal PGN, in contrast to homologous amidases that mediate daughter cell separation after cell division in unicellular bacteria. Nanopore formation is therefore a novel property of AmiC homologs. Immunofluorescence shows that native AmiC2 localizes to the maturing septum. The high-resolution crystal structure (1.12 Å) of its catalytic domain (AmiC2-cat) differs significantly from known structures of cell splitting and PGN recycling amidases. A wide and shallow binding cavity allows easy access of the substrate to the active site, which harbors an essential zinc ion. AmiC2-cat exhibits strong hydrolytic activity in vitro. A single point mutation of a conserved glutamate near the zinc ion results in total loss of activity, whereas zinc removal leads to instability of AmiC2-cat. An inhibitory α-helix, as found in the Escherichia coli AmiC(E. coli) structure, is absent. Taken together, our data provide insight into the cell-biological, biochemical and structural properties of an unusual cell wall lytic enzyme that generates nanopores for cell-cell communication in multicellular cyanobacteria. The novel structural features of the catalytic domain and the unique biological function of AmiC2 hint at mechanisms of action and regulation that are distinct from other amidases. The AmiC2-cat structure has been deposited in the Protein Data Bank under accession number 5EMI. © 2016 Federation of European Biochemical Societies.

  15. Structure Analysis and Properties of Unleaded Brasses

    Directory of Open Access Journals (Sweden)

    Rzadkosz S.

    2015-04-01

    Full Text Available The analysis of brasses regarding their microstructure, mechanical properties and ecological characteristics has been presented. The influence of characteristic alloying elements contained in the brasses and the possibilities of replacing them with other elements have been assessed. The paper contains the results of studies on the influence of chosen additional elements shaping the structure and properties of unleaded alloys based on Cu-Zn system as the matrix. The research aimed at determining the mechanism and the intensity of influence of such additives as tellurium and bismuth. The microstructures were investigated with the help of light microscopy and scanning electron microscopy with X-ray microanalysis (SEM-EDS for determining significant changes of the properties.

  16. Structural and tunneling properties of Si nanowires

    KAUST Repository

    Montes Muñoz, Enrique

    2013-12-06

    We investigate the electronic structure and electron transport properties of Si nanowires attached to Au electrodes from first principles using density functional theory and the nonequilibrium Green\\'s function method. We systematically study the dependence of the transport properties on the diameter of the nanowires, on the growth direction, and on the length. At the equilibrium Au-nanowire distance we find strong electronic coupling between the electrodes and nanowires, which results in a low contact resistance. With increasing nanowire length we study the transition from metallic to tunneling conductance for small applied bias. For the tunneling regime we investigate the decay of the conductance with the nanowire length and rationalize the results using the complex band structure of the pristine nanowires. The conductance is found to depend strongly on the growth direction, with nanowires grown along the ⟨110⟩ direction showing the smallest decay with length and the largest conductance and current.

  17. Structural and tunneling properties of Si nanowires

    KAUST Repository

    Montes Muñ oz, Enrique; Gkionis, Konstantinos; Rungger, Ivan; Sanvito, Stefano; Schwingenschlö gl, Udo

    2013-01-01

    We investigate the electronic structure and electron transport properties of Si nanowires attached to Au electrodes from first principles using density functional theory and the nonequilibrium Green's function method. We systematically study the dependence of the transport properties on the diameter of the nanowires, on the growth direction, and on the length. At the equilibrium Au-nanowire distance we find strong electronic coupling between the electrodes and nanowires, which results in a low contact resistance. With increasing nanowire length we study the transition from metallic to tunneling conductance for small applied bias. For the tunneling regime we investigate the decay of the conductance with the nanowire length and rationalize the results using the complex band structure of the pristine nanowires. The conductance is found to depend strongly on the growth direction, with nanowires grown along the ⟨110⟩ direction showing the smallest decay with length and the largest conductance and current.

  18. Microstructure mechanical properties relationship in bainitic structures

    International Nuclear Information System (INIS)

    Altuna, M. A.; Gutierrez, I.

    2005-01-01

    In the present work, the microstructures and their mechanical properties have been studies in different bainitic structures. therefore, different bainitic morphologies have been produced by isothermal treatments carried out at different temperatures. For these steels, 400-450 degree centigree is the optimum range of temperatures in order to obtain bainitic structures. If the Temperature is higher, perlite is also formed and if it is lower, martensite is obtained during quenching. SEM and EBSD/OIM techniques were applied in order to study the microstructure. Tensile tests were carried out for mechanical characterization. (Author) 20 refs

  19. Structural and electronic properties of thallium compounds

    International Nuclear Information System (INIS)

    Paliwal, Neetu; Srivastava, Vipul

    2016-01-01

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a_0), bulk modulus (B_0), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  20. Structural and electronic properties of thallium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Paliwal, Neetu, E-mail: neetumanish@gmail.com [Department of Physics, AISECT University Bhopal, 464993 (India); Srivastava, Vipul [Department of Engineering Physics, NRI Institute of Research & Technology, Raisen Road, Bhopal, 462021 (India)

    2016-05-06

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  1. The structural properties of sustainable, continuous change

    DEFF Research Database (Denmark)

    Håkonsson, Dorthe Døjbak; Klaas, Johann Peter; Carroll, Timothy

    2013-01-01

    this relationship by exploring what structural properties enable continuous change in inertia-generating organizations and what their performance consequences are in dynamic environments. The article has three main findings: First, employing managers who anticipate change is not enough to generate continuous change......; it is also necessary to raise both the rate of responsiveness and desired performance. Second, continuous change increases average organizational performance and reduces its variation. Third, organizations’ capacity for continuous change is counterintuitively limited by the organizations’ capacity to build...

  2. Plutonium uniqueness

    International Nuclear Information System (INIS)

    Silver, G.L.

    1984-01-01

    A standard is suggested against which the putative uniqueness of plutonium may be tested. It is common folklore that plutonium is unique among the chemical elements because its four common oxidation states can coexist in the same solution. Whether this putative uniqueness appears only during transit to equilibrium, or only at equilibrium, or all of the time, is not generally made clear. But while the folklore may contain some truth, it cannot be put to test until some measure of 'uniqueness' is agreed upon so that quantitative comparisons are possible. One way of measuring uniqueness is as the magnitude of the product of the mole fractions of the element at equilibrium. A 'coexistence index' is defined and discussed. (author)

  3. Unique biological properties of catalytic domain directed human anti-CAIX antibodies discovered through phage-display technology.

    Directory of Open Access Journals (Sweden)

    Chen Xu

    2010-03-01

    Full Text Available Carbonic anhydrase IX (CAIX, gene G250/MN-encoded transmembrane protein is highly expressed in various human epithelial tumors such as renal clear cell carcinoma (RCC, but absent from the corresponding normal tissues. Besides the CA signal transduction activity, CAIX may serve as a biomarker in early stages of oncogenesis and also as a reliable marker of hypoxia, which is associated with tumor resistance to chemotherapy and radiotherapy. Although results from preclinical and clinical studies have shown CAIX as a promising target for detection and therapy for RCC, only a limited number of murine monoclonal antibodies (mAbs and one humanized mAb are available for clinical testing and development. In this study, paramagnetic proteoliposomes of CAIX (CAIX-PMPLs were constructed and used for anti-CAIX antibody selection from our 27 billion human single-chain antibody (scFv phage display libraries. A panel of thirteen human scFvs that specifically recognize CAIX expressed on cell surface was identified, epitope mapped primarily to the CA domain, and affinity-binding constants (KD determined. These human anti-CAIX mAbs are diverse in their functions including induction of surface CAIX internalization into endosomes and inhibition of the carbonic anhydrase activity, the latter being a unique feature that has not been previously reported for anti-CAIX antibodies. These human anti-CAIX antibodies are important reagents for development of new immunotherapies and diagnostic tools for RCC treatment as well as extending our knowledge on the basic structure-function relationships of the CAIX molecule.

  4. Discrete and structurally unique proteins (tāpirins) mediate attachment of extremely thermophilic Caldicellulosiruptor species to cellulose.

    Science.gov (United States)

    Blumer-Schuette, Sara E; Alahuhta, Markus; Conway, Jonathan M; Lee, Laura L; Zurawski, Jeffrey V; Giannone, Richard J; Hettich, Robert L; Lunin, Vladimir V; Himmel, Michael E; Kelly, Robert M

    2015-04-24

    A variety of catalytic and noncatalytic protein domains are deployed by select microorganisms to deconstruct lignocellulose. These extracellular proteins are used to attach to, modify, and hydrolyze the complex polysaccharides present in plant cell walls. Cellulolytic enzymes, often containing carbohydrate-binding modules, are key to this process; however, these enzymes are not solely responsible for attachment. Few mechanisms of attachment have been discovered among bacteria that do not form large polypeptide structures, called cellulosomes, to deconstruct biomass. In this study, bioinformatics and proteomics analyses identified unique, discrete, hypothetical proteins ("tāpirins," origin from Māori: to join), not directly associated with cellulases, that mediate attachment to cellulose by species in the noncellulosomal, extremely thermophilic bacterial genus Caldicellulosiruptor. Two tāpirin genes are located directly downstream of a type IV pilus operon in strongly cellulolytic members of the genus, whereas homologs are absent from the weakly cellulolytic Caldicellulosiruptor species. Based on their amino acid sequence, tāpirins are specific to these extreme thermophiles. Tāpirins are also unusual in that they share no detectable protein domain signatures with known polysaccharide-binding proteins. Adsorption isotherm and trans vivo analyses demonstrated the carbohydrate-binding module-like affinity of the tāpirins for cellulose. Crystallization of a cellulose-binding truncation from one tāpirin indicated that these proteins form a long β-helix core with a shielded hydrophobic face. Furthermore, they are structurally unique and define a new class of polysaccharide adhesins. Strongly cellulolytic Caldicellulosiruptor species employ tāpirins to complement substrate-binding proteins from the ATP-binding cassette transporters and multidomain extracellular and S-layer-associated glycoside hydrolases to process the carbohydrate content of lignocellulose.

  5. Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis.

    Science.gov (United States)

    Xu, Rui-Gang; Jenkins, Huw T; Antson, Alfred A; Greive, Sandra J

    2017-12-15

    The crystal structure of the large terminase from the Geobacillus stearothermophilus bacteriophage D6E shows a unique relative orientation of the N-terminal adenosine triphosphatase (ATPase) and C-terminal nuclease domains. This monomeric 'initiation' state with the two domains 'locked' together is stabilized via a conserved C-terminal arm, which may interact with the portal protein during motor assembly, as predicted for several bacteriophages. Further work supports the formation of an active oligomeric state: (i) AUC data demonstrate the presence of oligomers; (ii) mutational analysis reveals a trans-arginine finger, R158, indispensable for ATP hydrolysis; (iii) the location of this arginine is conserved with the HerA/FtsK ATPase superfamily; (iv) a molecular docking model of the pentamer is compatible with the location of the identified arginine finger. However, this pentameric model is structurally incompatible with the monomeric 'initiation' state and is supported by the observed increase in kcat of ATP hydrolysis, from 7.8 ± 0.1 min-1 to 457.7 ± 9.2 min-1 upon removal of the C-terminal nuclease domain. Taken together, these structural, biophysical and biochemical data suggest a model where transition from the 'initiation' state into a catalytically competent pentameric state, is accompanied by substantial domain rearrangements, triggered by the removal of the C-terminal arm from the ATPase active site. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  6. Atomic-level structure and structure-property relationship in metallic glass

    Science.gov (United States)

    Cheng, Yongqiang

    One of the key tasks in material science is to understand the structure and structure-property relationship. The recently emerging bulk metallic glasses (BMGs) have demonstrated unique properties, especially intriguing mechanical properties such as their high strength and high propensity to localize deformation in shear bands. However, a comprehensive understanding of the structure of BMGs has been hindered by the complexity of these amorphous materials. Even more challenging is the structure-property correlation, which has been well established in crystals but has been seriously lacking for BMGs. This thesis presents a systematic study of the atomic-level structures of two representative BMGs, Cu-Zr and Cu-Zr-Al. The interpenetrating Cu-centered icosahedral clusters have been identified to be the primary structural feature. The fraction of icosahedra increases with increasing Cu or Al contents, and with decreasing cooling rate. The effect of Al in improving the icosahedral order is two-fold: the geometric effect due to the atomic-size mismatch and the chemical effect originated from the Cu-Al bond shortening. The resolved structure is used to study the structure-property relationship. The full icosahedra are found to be responsible for the dynamical slowdown of the supercooled liquid, which underlies the non-Arrhenius behavior, and explains the composition dependence of glass transition temperature, glass forming ability, and the room temperature strength. By simulated deformation, the initiation of plasticity and tendency for strain localization are also investigated. The full icosahedra are found to be the most rigid and resistant cluster with solid-like character, while the unstable clusters with liquid-like character serve as the fertile sites for initiating shear transformations. In addition, the elastic moduli are calculated and analyzed, and the origins of the different configurational dependence of shear modulus (G) and bulk modulus ( B) are explained. The

  7. Structural material properties for fusion application

    Energy Technology Data Exchange (ETDEWEB)

    Tavassoli, A-A. F.

    2008-10-15

    Materials properties requirements for structural applications in the forthcoming and future fusion machines are analyzed with emphasis on safety requirements. It is shown that type 316L(N) used in the main structural components of ITER is code qualified and together with limits imposed on its service conditions and neutron radiation levels, can adequately satisfy ITER vacuum vessel licensing requirements. For the in-vessel components, where nonconventional fabrication methods, such as HIPing, are used, design through materials properties, data is combined with tests on representative mockups to meet the requirements. For divertor parts, where the operating conditions are too severe for components to last throughout the reactor life, replacement of most exposed parts is envisaged. DEMO operating conditions require extension of ITER design criteria to high temperature and high neutron dose rules, as well as to compatibility with cooling and tritium breeding media, depending on the blanket concept retained. The structural material favoured in EU is Eurofer steel, low activation martensitic steel with good ductility and excellent resistance to radiation swelling. However, this material, like other ferritic / martensitic steels, requires post-weld annealing and is sensitive to low temperature irradiation embrittlement. Furthermore, it shows cyclic softening during fatigue, complicating design against fatigue and creep-fatigue. (au)

  8. Carbon nanotube on Si(001): structural and electronic properties

    International Nuclear Information System (INIS)

    Orellana, W.; Fazzio, A.; Miwa, R.W.

    2003-01-01

    Full text: The promising nanoscale technology based on carbon nanotubes has attracted much attention due to the unique electronic, chemical and mechanical properties of the nanotubes. Single-wall carbon nanotubes (SWCNs) provide an ideal atomically uniform one dimensional (1D) conductors, having a strong electronic confinement around its circumference, which can be retained up to room temperature[1]. This interesting property may lead one to consider SWCNs as 1D conductors for the development of nanoscale electronic devices. In this work the structural and electronic properties of the contact between a metallic (6,6) SWCN adsorbed on a silicon (001) surface are studied from first-principles total-energy calculations. We consider two adsorption sites for the tube on the Si(001) surface: on the top of the Si-dimer rows and on the surface 'trench' between two consecutive dimer rows. Our results show a chemical bond between the nanotube and Si(001) when the tube is located along the 'trench', which corresponds to the only bound structure. We find a binding energy per tube length of 0.21 eV/angstrom. We also verified that the binding energy depends on the rotation of the tube. Typically, a rotation of 15 deg can reduce the binding energy up to 0.07 eV/angstrom. Our calculated electronic properties indicate that the most stable structure shows a subband associated to the tube/surface bond that cross the Fermi level. This result indicates an enhanced metallic behavior along the tube/surface contact characterizing a 1D quantum wire. The charge transfer between the Si surface and the tube is also discussed. [1] Z. Yao, C. Dekker, and P. Avouris in Carbon Nanotubes, M. S. Dresselhaus, G. Dresselhaus, and P. Avouris Eds., (Springer, Berlin 2001), p. 147. (author)

  9. Structure and properties of microcrystalline chitosan

    International Nuclear Information System (INIS)

    Pighinelli, Luciano; Guimaraes, Fernando Machado; Paz, Luan Rios; Zanin, Gabrielle Brehm; Kmiec, Marzena; Tedesco, Felipe Melleu; Reis, Victoria Oliva dos; Silva, Matheus Machado; Becker, Cristiane Miotto; Zehetmeyer, Gislene; Rasia, Gisele

    2016-01-01

    Full text: The microcrystalline chitosan is a modified form of chitosan; it has been elaborated from obtaining method of chitosan salts. It is characterized by special properties of the initial chitosan such as biocompatibility, bioactivity, non-toxic, biodegradability [1]. The objective of this study is to develop a different method to obtain the microcrystalline chitosan and the following characterization of the initial chitosan and MCCh. The material was characterized by FTIR, scanning of electron microscopy, SEM, nuclear magnetic resonance, NMR, and x-ray diffraction. The results indicate that the process to obtain MCCh, did not change the structure of the initial chitosan. The MCCh shows the same functional groups of the initial chitosan. The NMR results shows the acetylated and deacetylated groups. The morphology shows a homogeneous structure of surface. The X-ray diffraction shows the reduction of the crystallinity in the MCCh, indicating a bigger amorphous structure of the MCCh. The chitosan and its derivatives are polymers with excellent properties to be used in regenerative medicine because of ensure efficiency in healing process. This polysaccharide has a great potential to develop a new generation of biomaterials that can be used in regenerative medicine and tissue engineering [2]. References: [1]. LI, Q. et al. Applications and properties of chitosan. In: GOOSEN, M. F. A. (Ed.). Applications of chitin and chitosan. Basel: Technomic, 1997. p. 3-29; [2]. Luciano Pighinelli, Magdalena Kucharska, Dariuz Wawro. Preparation of Microcrystalline chitosan: (MCCh0/tricalcium phosphate complex with Hydroxyapatite in sponge and fibre from for hard tissue regeneration. (author)

  10. Structure and properties of microcrystalline chitosan

    Energy Technology Data Exchange (ETDEWEB)

    Pighinelli, Luciano; Guimaraes, Fernando Machado; Paz, Luan Rios; Zanin, Gabrielle Brehm; Kmiec, Marzena; Tedesco, Felipe Melleu; Reis, Victoria Oliva dos; Silva, Matheus Machado, E-mail: lpighinelli@hotmail.com [Universidade Luterana, Sao Paulo, SP (Brazil); Becker, Cristiane Miotto; Zehetmeyer, Gislene; Rasia, Gisele [Centro Universitario SENAI CIMATEC, Salvador, BA (Brazil). Instituto de Engenharia de Materiais Polimericos

    2016-07-01

    Full text: The microcrystalline chitosan is a modified form of chitosan; it has been elaborated from obtaining method of chitosan salts. It is characterized by special properties of the initial chitosan such as biocompatibility, bioactivity, non-toxic, biodegradability [1]. The objective of this study is to develop a different method to obtain the microcrystalline chitosan and the following characterization of the initial chitosan and MCCh. The material was characterized by FTIR, scanning of electron microscopy, SEM, nuclear magnetic resonance, NMR, and x-ray diffraction. The results indicate that the process to obtain MCCh, did not change the structure of the initial chitosan. The MCCh shows the same functional groups of the initial chitosan. The NMR results shows the acetylated and deacetylated groups. The morphology shows a homogeneous structure of surface. The X-ray diffraction shows the reduction of the crystallinity in the MCCh, indicating a bigger amorphous structure of the MCCh. The chitosan and its derivatives are polymers with excellent properties to be used in regenerative medicine because of ensure efficiency in healing process. This polysaccharide has a great potential to develop a new generation of biomaterials that can be used in regenerative medicine and tissue engineering [2]. References: [1]. LI, Q. et al. Applications and properties of chitosan. In: GOOSEN, M. F. A. (Ed.). Applications of chitin and chitosan. Basel: Technomic, 1997. p. 3-29; [2]. Luciano Pighinelli, Magdalena Kucharska, Dariuz Wawro. Preparation of Microcrystalline chitosan: (MCCh0/tricalcium phosphate complex with Hydroxyapatite in sponge and fibre from for hard tissue regeneration. (author)

  11. SiCO-doped carbon fibers with unique dual superhydrophilicity/superoleophilicity and ductile and capacitance properties.

    Science.gov (United States)

    Lu, Ping; Huang, Qing; Mukherjee, Amiya; Hsieh, You-Lo

    2010-12-01

    Silicon oxycarbide (SiCO) glass-doped carbon fibers with an average diameter of 163 nm were successfully synthesized by electrospinning polymer mixtures of preceramic precursor polyureasilazane (PUS) and carbon precursor polyacrylonitrile (PAN) into fibers then converting to ceramic/carbon hybrid via cross-linking, stabilization, and pyrolysis at temperatures up to 1000 °C. The transformation of PUS/PAN polymer precursors to SiCO/carbon structures was confirmed by EDS and FTIR. Both carbon and SiCO/carbon fibers were amorphous and slightly oxidized. Doping with SiCO enhanced the thermal stability of carbon fibers and acquired new ductile behavior in the SiCO/carbon fibers with significantly improved flexibility and breaking elongation. Furthermore, the SiCO/carbon fibers exhibited dual superhydrophilicity and superoleophilicity with water and decane absorbing capacities of 873 and 608%, respectively. The cyclic voltammetry also showed that SiCO/carbon composite fibers possess better capacitor properties than carbon fibers.

  12. Synthesis, structure, and properties of azatriangulenium salts

    DEFF Research Database (Denmark)

    Laursen, B.W.; Krebs, Frederik C

    2001-01-01

    amines and, by virtue of its stepwise and irreversible nature, provides a powerful tool for the preparation of a wide variety of new heterocyclic carbenium salts. Several derivatives of the three new oxygen- and/or nitrogen-bridged triangulenium salts, azadioxa- (6), diazaoxa- (7......), and triazatriangulenium (4), have been synthesized and their physicochemical properties have been investigated. Crystal structures for compounds 2 b-PF6: 2d-PF6, 4b-BF4, 4c-BF4, 6e-BF4, and 8 are reported. The different packing modes found for the triazatriagulenium salts are discussed in relation to the electrostatic...

  13. Technological properties and structure of titanate melts

    International Nuclear Information System (INIS)

    Morozov, A.A.

    2002-01-01

    Power substantiation of existence of tough stream of complex anion ([TiO 6 ] 8- ) as a prevalent unit in titanate melts is given on the base of up-to-date knowledge about structure of metallurgical slags and results of investigations of thermophysical properties of these melts. It is shown that high crystallization ability of titanate melts at technological temperatures is determined by heterogeneity of liquid state - by presence up to 30 % of dispersed particles of solid phase solutions in matrix liquid [ru

  14. Fabrication and Properties of Multilayer Structures

    Science.gov (United States)

    1983-09-01

    according to both the high x-ray count and a Read camera pattern which showed only the 111 8 SiC reflection in a tight ± 30 distribution about the substrate...structural rearrangement. X-ray analysis of the deposited films at the composition of Pd2 Si using a Read camera indicated strong texturing. The...Phys. 35, 547 (1964). 11. C.A. Neubauer and J.R. Randen, Proc. IEEE 52, 1234 (1964). 12. W.A. Tiller, "Fabrication and Properties of Multilayer

  15. Planetary ring systems properties, structures, and evolution

    CERN Document Server

    Murray, Carl D

    2018-01-01

    Planetary rings are among the most intriguing structures of our solar system and have fascinated generations of astronomers. Collating emerging knowledge in the field, this volume reviews our current understanding of ring systems with reference to the rings of Saturn, Uranus, Neptune, and more. Written by leading experts, the history of ring research and the basics of ring–particle orbits is followed by a review of the known planetary ring systems. All aspects of ring system science are described in detail, including specific dynamical processes, types of structures, thermal properties and their origins, and investigations using computer simulations and laboratory experiments. The concluding chapters discuss the prospects of future missions to planetary rings, the ways in which ring science informs and is informed by the study of other astrophysical disks, and a perspective on the field's future. Researchers of all levels will benefit from this thorough and engaging presentation.

  16. Properties of multilayer nonuniform holographic structures

    International Nuclear Information System (INIS)

    Pen, E F; Rodionov, Mikhail Yu

    2010-01-01

    Experimental results and analysis of properties of multilayer nonuniform holographic structures formed in photopolymer materials are presented. The theoretical hypotheses is proved that the characteristics of angular selectivity for the considered structures have a set of local maxima, whose number and width are determined by the thicknesses of intermediate layers and deep holograms and that the envelope of the maxima coincides with the selectivity contour of a single holographic array. It is also experimentally shown that hologram nonuniformities substantially distort shapes of selectivity characteristics: they become asymmetric, the local maxima differ in size and the depths of local minima reduce. The modelling results are made similar to experimental data by appropriately choosing the nonuniformity parameters. (imaging and image processing. holography)

  17. Hepatic crown-like structure: a unique histological feature in non-alcoholic steatohepatitis in mice and humans.

    Directory of Open Access Journals (Sweden)

    Michiko Itoh

    Full Text Available Although macrophages are thought to be crucial for the pathogenesis of chronic inflammatory diseases, how they are involved in disease progression from simple steatosis to non-alcoholic steatohepatitis (NASH is poorly understood. Here we report the unique histological structure termed "hepatic crown-like structures (hCLS" in the mouse model of human NASH; melanocortin-4 receptor deficient mice fed a Western diet. In hCLS, CD11c-positive macrophages aggregate to surround hepatocytes with large lipid droplets, which is similar to those described in obese adipose tissue. Histological analysis revealed that hCLS is closely associated with activated fibroblasts and collagen deposition. When treatment with clodronate liposomes effectively depletes macrophages scattered in the liver, with those in hCLS intact, hepatic expression of inflammatory and fibrogenic genes is unaffected, suggesting that hCLS is an important source of inflammation and fibrosis during the progression of NASH. Notably, the number of hCLS is positively correlated with the extent of liver fibrosis. We also observed increased number of hCLS in the liver of non-alcoholic fatty liver disease/NASH patients. Collectively, our data provide evidence that hCLS is involved in the development of hepatic inflammation and fibrosis, thereby suggesting its pathophysiologic role in disease progression from simple steatosis to NASH.

  18. Extraordinary electronic properties in uncommon structure types

    Science.gov (United States)

    Ali, Mazhar Nawaz

    In this thesis I present the results of explorations into several uncommon structure types. In Chapter 1 I go through the underlying idea of how we search for new compounds with exotic properties in solid state chemistry. The ideas of exploring uncommon structure types, building up from the simple to the complex, using chemical intuition and thinking by analogy are discussed. Also, the history and basic concepts of superconductivity, Dirac semimetals, and magnetoresistance are briefly reviewed. In chapter 2, the 1s-InTaS2 structural family is introduced along with the discovery of a new member of the family, Ag0:79VS2; the synthesis, structure, and physical properties of two different polymorphs of the material are detailed. Also in this chapter, we report the observation of superconductivity in another 1s structure, PbTaSe2. This material is especially interesting due to it being very heavy (resulting in very strong spin orbit coulping (SOC)), layered, and noncentrosymmetric. Electronic structure calculations reveal the presence of a bulk 3D Dirac cone (very similar to graphene) that is gapped by SOC originating from the hexagonal Pb layer. In Chapter 3 we show the re-investigation of the crystal structure of the 3D Dirac semimetal, Cd3As2. It is found to be centrosymmetric, rather than noncentrosymmetric, and as such all bands are spin degenerate and there is a 4-fold degenerate bulk Dirac point at the Fermi level, making Cd3As2 a 3D electronic analog to graphene. Also, for the first time, scanning tunneling microscopy experiments identify a 2x2 surface reconstruction in what we identify as the (112) cleavage plane of single crystals; needle crystals grow with a [110] long axis direction. Lastly, in chapter 4 we report the discovery of "titanic" (sadly dubbed ⪉rge, nonsaturating" by Nature editors and given the acronym XMR) magnetoresistance (MR) in the non-magnetic, noncentrosymmetric, layered transition metal dichalcogenide WTe2; over 13 million% at 0.53 K in

  19. Synthesis, crystal structures and properties of lead phosphite compounds

    International Nuclear Information System (INIS)

    Song, Jun-Ling; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao

    2015-01-01

    Here, we report the preparation and characterization of two lead(II) phosphites, namely, Pb_2(HPO_3)_2 and Pb_2(HPO_3)(NO_3)_2 through hydrothermal reaction or simple solution synthesis, respectively. A new lead phosphite, namely, Pb_2(HPO_3)_2, crystallizes in the noncentrosymmetric space group Cmc2_1 (no. 36), which features 3D framework formed by the interconnection of 2D layer of lead(II) phosphites and 1D chain of [Pb(HPO_3)_5]_∞. The nonlinear optical properties of Pb_2(HPO_3)(NO_3)_2 have been studied for the first time. The synergistic effect of the stereo-active lone-pairs on Pb"2"+ cations and π-conjugated NO_3 units in Pb_2(HPO_3)(NO_3)_2 produces a moderate second harmonic generation (SHG) response of ∼1.8×KDP (KH_2PO_4), which is phase matchable (type I). IR, UV–vis spectra and thermogravimetric analysis (TGA) for the two compounds were also measured. - Graphical abstract: Two lead phosphites Pb_2(HPO_3)_2 and Pb_2(HPO_3)(NO_3)_2 are studied. A new lead phosphite Pb_2(HPO_3)_2 features a unique 3D framework structure and Pb_2(HPO_3)(NO_3)_2 shows a moderate SHG response of ∼1.8×KDP (KH_2PO_4). - Highlights: • A new lead phosphite, Pb_2(HPO_3)_2 is reported. • Pb_2(HPO_3)_2 features a unique 3D framework structure. • NLO property of Pb_2(HPO_3)(NO_3)_2 is investigated. • Pb_2(HPO_3)(NO_3)_2 produces a moderate SHG response of ∼1.8×KDP (KH_2PO_4).

  20. Structure and Properties of LENRA/ Silica Composite

    International Nuclear Information System (INIS)

    Mahathir Mohamed; Dahlan Mohd

    2010-01-01

    The sol-gel reaction using tetra ethoxysilane (TEOS) was conducted for modified natural rubber (NR) matrix to obtain in situ generated NR/ silica composite. The present of acrylate group in the modified NR chain turns the composite into radiation-curable. The maximum amount of silica generated in the matrix was 50 p hr by weight. During the sol-gel process the inorganic mineral was deposited in the rubber matrix forming hydrogen bonding between organic and inorganic phases. The composites obtained were characterized by various techniques including thermogravimetric analysis and infrared spectrometry to study their molecular structure. The increase in mechanical properties was observed for low silica contents ( 30 p hr) where more silica were generated, agglomerations were observed at the expense of the mechanical properties. From the DMTA data, it shows an increase of the interaction between the rubber and silica phases up to 30 p hr TEOS. Structure and morphology of the heterogeneous system were analyzed by transmission electron microscopy. The average particle sizes of between 150 nm to 300 nm were achieved for the composites that contain less than 20 p hr of TEOS. (author)

  1. Two unique ligand-binding clamps of Rhizopus oryzae starch binding domain for helical structure disruption of amylose.

    Directory of Open Access Journals (Sweden)

    Ting-Ying Jiang

    Full Text Available The N-terminal starch binding domain of Rhizopus oryzae glucoamylase (RoSBD has a high binding affinity for raw starch. RoSBD has two ligand-binding sites, each containing a ligand-binding clamp: a polyN clamp residing near binding site I is unique in that it is expressed in only three members of carbohydrate binding module family 21 (CBM21 members, and a Y32/F58 clamp located at binding site II is conserved in several CBMs. Here we characterized different roles of these sites in the binding of insoluble and soluble starches using an amylose-iodine complex assay, atomic force microscopy, isothermal titration calorimetry, site-directed mutagenesis, and structural bioinformatics. RoSBD induced the release of iodine from the amylose helical cavity and disrupted the helical structure of amylose type III, thereby significantly diminishing the thickness and length of the amylose type III fibrils. A point mutation in the critical ligand-binding residues of sites I and II, however, reduced both the binding affinity and amylose helix disruption. This is the first molecular model for structure disruption of the amylose helix by a non-hydrolytic CBM21 member. RoSBD apparently twists the helical amylose strands apart to expose more ligand surface for further SBD binding. Repeating the process triggers the relaxation and unwinding of amylose helices to generate thinner and shorter amylose fibrils, which are more susceptible to hydrolysis by glucoamylase. This model aids in understanding the natural roles of CBMs in protein-glycan interactions and contributes to potential molecular engineering of CBMs.

  2. Structural properties of the Hugoniot curve; Proprietes structurales de la courte d'Hugoniot

    Energy Technology Data Exchange (ETDEWEB)

    Chaisse, F

    2002-07-01

    This report is devoted to the structural properties analysis of the HUGONIOT curve, independently of the equation of state (E 0 S) display. The general properties so coming out are applied to the shock waves interacting studies. When phase transitions are present we investigate the splitting of shock waves and also the rarefaction waves. To end with, we present the shock instabilities and the non-uniqueness of solutions when specific E 0 S are present. (author)

  3. The structural chemistry of metallocorroles: combined X-ray crystallography and quantum chemistry studies afford unique insights.

    Science.gov (United States)

    Thomas, Kolle E; Alemayehu, Abraham B; Conradie, Jeanet; Beavers, Christine M; Ghosh, Abhik

    2012-08-21

    accentuate this effect, sometimes dramatically. Thus, a crystal structure of a copper β-octakis(trifluoromethyl)-meso-triarylcorrole complex exhibits nearly orthogonal, adjacent pyrrole rings. Intriguingly, the formally isoelectronic silver and gold corroles are much less saddled than their copper congeners because the high orbital energy of the valence d(x2-y2) orbital discourages overlap with the corrole π orbital. A crystal structure of a gold β-octakis(trifluoromethyl)-meso-triarylcorrole complex exhibits a perfectly planar corrole core, which translates to a difference of 85° in the saddling dihedral angles between analogous copper and gold complexes. Gratifyingly, electrochemical, spectroscopic, and quantum chemical studies provide a coherent, theoretical underpinning for these fascinating structural phenomena. With the development of facile one-pot syntheses of corrole macrocycles in the last 10-15 years, corroles are now almost as readily accessible as porphyrins. Like porphyrins, corroles are promising building blocks for supramolecular constructs such as liquid crystals and metal-organic frameworks. However, because of their symmetry properties, corrole-based supramolecular constructs will probably differ substantially from porphyrin-based ones. We are particularly interested in exploiting the inherently saddled, chiral architectures of copper corroles to create novel oriented materials such as chiral liquid crystals. We trust that the fundamental structural principles uncovered in this Account will prove useful as we explore these fascinating avenues.

  4. Local structure and structural signature underlying properties in metallic glasses and supercooled liquids

    Science.gov (United States)

    Ding, Jun

    Metallic glasses (MGs), discovered five decades ago as a newcomer in the family of glasses, are of current interest because of their unique structures and properties. There are also many fundamental materials science issues that remain unresolved for metallic glasses, as well as their predecessor above glass transition temperature, the supercooled liquids. In particular, it is a major challenge to characterize the local structure and unveil the structure-property relationship for these amorphous materials. This thesis presents a systematic study of the local structure of metallic glasses as well as supercooled liquids via classical and ab initio molecular dynamics simulations. Three typical MG models are chosen as representative candidate, Cu64 Zr36, Pd82Si18 and Mg65Cu 25Y10 systems, while the former is dominant with full icosahedra short-range order and the prism-type short-range order dominate for latter two. Furthermore, we move to unravel the underlying structural signature among several properties in metallic glasses. Firstly, the temperature dependence of specific heat and liquid fragility between Cu-Zr and Mg-Cu-Y (also Pd-Si) in supercooled liquids are quite distinct: gradual versus fast evolution of specific heat and viscosity/relaxation time with undercooling. Their local structural ordering are found to relate with the temperature dependence of specific heat and relaxation time. Then elastic heterogeneity has been studied to correlate with local structure in Cu-Zr MGs. Specifically, this part covers how the degree of elastic deformation correlates with the internal structure at the atomic level, how to quantitatively evaluate the local solidity/liquidity in MGs and how the network of interpenetrating connection of icosahedra determine the corresponding shear modulus. Finally, we have illustrated the structure signature of quasi-localized low-frequency vibrational normal modes, which resides the intriguing vibrational properties in MGs. Specifically, the

  5. Additively manufactured metallic porous biomaterials based on minimal surfaces: A unique combination of topological, mechanical, and mass transport properties.

    Science.gov (United States)

    Bobbert, F S L; Lietaert, K; Eftekhari, A A; Pouran, B; Ahmadi, S M; Weinans, H; Zadpoor, A A

    2017-04-15

    Porous biomaterials that simultaneously mimic the topological, mechanical, and mass transport properties of bone are in great demand but are rarely found in the literature. In this study, we rationally designed and additively manufactured (AM) porous metallic biomaterials based on four different types of triply periodic minimal surfaces (TPMS) that mimic the properties of bone to an unprecedented level of multi-physics detail. Sixteen different types of porous biomaterials were rationally designed and fabricated using selective laser melting (SLM) from a titanium alloy (Ti-6Al-4V). The topology, quasi-static mechanical properties, fatigue resistance, and permeability of the developed biomaterials were then characterized. In terms of topology, the biomaterials resembled the morphological properties of trabecular bone including mean surface curvatures close to zero. The biomaterials showed a favorable but rare combination of relatively low elastic properties in the range of those observed for trabecular bone and high yield strengths exceeding those reported for cortical bone. This combination allows for simultaneously avoiding stress shielding, while providing ample mechanical support for bone tissue regeneration and osseointegration. Furthermore, as opposed to other AM porous biomaterials developed to date for which the fatigue endurance limit has been found to be ≈20% of their yield (or plateau) stress, some of the biomaterials developed in the current study show extremely high fatigue resistance with endurance limits up to 60% of their yield stress. It was also found that the permeability values measured for the developed biomaterials were in the range of values reported for trabecular bone. In summary, the developed porous metallic biomaterials based on TPMS mimic the topological, mechanical, and physical properties of trabecular bone to a great degree. These properties make them potential candidates to be applied as parts of orthopedic implants and/or as bone

  6. Superhard behaviour, low residual stress, and unique structure in diamond-like carbon films by simple bilayer approach

    International Nuclear Information System (INIS)

    Dwivedi, Neeraj; Kumar, Sushil; Malik, Hitendra K.

    2012-01-01

    Simple bilayer approach is proposed for synthesizing hard and superhard diamond-like carbon (DLC) coatings with reduced residual stress. For this, M/DLC bilayer (M = Ti and Cu) structures are grown using hybrid system involving radio frequency (RF)-sputtering and RF-plasma enhanced chemical vapor deposition techniques. Ti/DLC bilayer deposited at negative self bias of 100 V shows superhard behaviour with hardness (H) as 49 GPa. Cu/DLC bilayer grown at self bias of 100 V exhibits hard behaviour with H as 22.8 GPa. The hardness of Ti/DLC (Cu/DLC) bilayer gets changed from superhard (hard) to hard (moderate hard) regime, when the self bias is raised to 300 V. Residual stress in Ti/DLC (Cu/DLC) bilayer is found to be significantly low that varies in the range of 1 GPa-1.65 GPa (0.8 GPa-1.6 GPa). The microstructure and morphology are studied by Raman spectroscopy, scanning electron microscopy (SEM), and atomic force microscopy (AFM). SEM and AFM pictures reveal the creation of nanostructured features in the deposited bilayers. Raman, SEM, and AFM analyses are correlated with the nano-mechanical properties. Owing to excellent nano-mechanical properties, these bilayers can find their direct industrial applications as hard and protective coatings.

  7. From linking of metal-oxide building blocks in a dynamic library to giant clusters with unique properties and towards adaptive chemistry.

    Science.gov (United States)

    Müller, Achim; Gouzerh, Pierre

    2012-11-21

    Following Nature's lessons, today chemists can cross the boundary of the small molecule world to construct multifunctional and highly complex molecular nano-objects up to protein size and even cell-like nanosystems showing responsive sensing. Impressive examples emerge from studies of the solutions of some oxoanions of the early transition metals especially under reducing conditions which enable the controlled linking of metal-oxide building blocks. The latter are available from constitutional dynamic libraries, thus providing the option to generate multifunctional unique nanoscale molecular systems with exquisite architectures, which even opens the way towards adaptive and evolutive (Darwinian) chemistry. The present review presents the first comprehensive report of current knowledge (including synthesis aspects not discussed before) regarding the related giant metal-oxide clusters mainly of the type {Mo(57)M'(6)} (M' = Fe(III), V(IV)) (torus structure), {M(72)M'(30)} (M = Mo, M' = V(IV), Cr(III), Fe(III), Mo(V)), {M(72)Mo(60)} (M = Mo, W) (Keplerates), {Mo(154)}, {Mo(176)}, {Mo(248)} ("big wheels"), and {Mo(368)} ("blue lemon") - all having the important transferable pentagonal {(M)M(5)} groups in common. These discoveries expanded the frontiers of inorganic chemistry to the mesoscopic world, while there is probably no collection of discrete inorganic compounds which offers such a versatile chemistry and the option to study new phenomena of interdisciplinary interest. The variety of different properties of the sphere- and wheel-type metal-oxide-based clusters can directly be related to their unique architectures: The spherical Keplerate-type capsules having 20 crown-ether-type pores and tunable internal functionalities allow the investigation of confined matter as well as that of sphere-surface-supramolecular and encapsulation chemistry - including related new aspects of the biologically important hydrophobic effects - but also of nanoscale ion transport and

  8. [Relationships between microscope structure and thermodynamic properties

    International Nuclear Information System (INIS)

    Wu, R.S.; Lee, L.L.; Cochran, D.

    1990-01-01

    This paper exhibits on the molecular level, the relationships between the microscopic structure and thermodynamic properties of dilute supercritical solutions by application of the integral equation theories for molecular distribution functions. To solve the integral equations, the authors use Baxter's Wiener-Hopf factorization of the Ornstein-Zernike equations and then apply this method to binary Lennard-Jones mixtures. A number of closure relations have been used: such as the Percus-Yevick (PY), the reference hypernetted chain (RHNC), the hybrid mean spherical approximation (HMSA), and the reference interaction-site (RISM) methods. The authors examine the microstructures of several important classes of supercritical mixtures, including the usual attractive-type and the less known repulsive-type solutions. The clustering of solvent molecules for solvent-solute structures in the attractive mixtures and, correspondingly, the solvent cavitation in the repulsive mixtures are clearly demonstrated. These are shown to be responsible for the large negative growth of the solute partial molar volumes in the attractive case and the positive growth in the repulsive case

  9. Participatory role of zinc in structural and functional characterization of bioremediase: a unique thermostable microbial silica leaching protein.

    Science.gov (United States)

    Chowdhury, Trinath; Sarkar, Manas; Chaudhuri, Biswadeep; Chattopadhyay, Brajadulal; Halder, Umesh Chandra

    2015-07-01

    A unique protein, bioremediase (UniProt Knowledgebase Accession No.: P86277), isolated from a hot spring bacterium BKH1 (GenBank Accession No.: FJ177512), has shown to exhibit silica leaching activity when incorporated to prepare bio-concrete material. Matrix-assisted laser desorption ionization mass spectrometry analysis suggests that bioremediase is 78% homologous to bovine carbonic anhydrase II though it does not exhibit carbonic anhydrase-like activity. Bioinformatics study is performed for understanding the various physical and chemical parameters of the protein which predicts the involvement of zinc encircled by three histidine residues (His94, His96 and His119) at the active site of the protein. Isothermal titration calorimetric-based thermodynamic study on diethyl pyrocarbonate-modified protein recognizes the presence of Zn(2+) in the enzyme moiety. Exothermic to endothermic transition as observed during titration of the protein with Zn(2+) discloses that there are at least two binding sites for zinc within the protein moiety. Addition of Zn(2+) regains the activity of EDTA chelated bioremediase confirming the presence of extra binding site of Zn(2+) in the protein moiety. Revival of folding pattern of completely unfolded urea-treated protein by Zn(2+) explains the participatory role of zinc in structural stability of the protein. Restoration of the λ max in intrinsic fluorescence emission study of the urea-treated protein by Zn(2+) similarly confirms the involvement of Zn in the refolding of the protein. The utility of bioremediase for silica nanoparticles preparation is observed by field emission scanning electron microscopy.

  10. A Validation Study of the Rank-Preserving Structural Failure Time Model: Confidence Intervals and Unique, Multiple, and Erroneous Solutions.

    Science.gov (United States)

    Ouwens, Mario; Hauch, Ole; Franzén, Stefan

    2018-05-01

    The rank-preserving structural failure time model (RPSFTM) is used for health technology assessment submissions to adjust for switching patients from reference to investigational treatment in cancer trials. It uses counterfactual survival (survival when only reference treatment would have been used) and assumes that, at randomization, the counterfactual survival distribution for the investigational and reference arms is identical. Previous validation reports have assumed that patients in the investigational treatment arm stay on therapy throughout the study period. To evaluate the validity of the RPSFTM at various levels of crossover in situations in which patients are taken off the investigational drug in the investigational arm. The RPSFTM was applied to simulated datasets differing in percentage of patients switching, time of switching, underlying acceleration factor, and number of patients, using exponential distributions for the time on investigational and reference treatment. There were multiple scenarios in which two solutions were found: one corresponding to identical counterfactual distributions, and the other to two different crossing counterfactual distributions. The same was found for the hazard ratio (HR). Unique solutions were observed only when switching patients were on investigational treatment for <40% of the time that patients in the investigational arm were on treatment. Distributions other than exponential could have been used for time on treatment. An HR equal to 1 is a necessary but not always sufficient condition to indicate acceleration factors associated with equal counterfactual survival. Further assessment to distinguish crossing counterfactual curves from equal counterfactual curves is especially needed when the time that switchers stay on investigational treatment is relatively long compared to the time direct starters stay on investigational treatment.

  11. Requirement of lid2 for interfacial activation of a family I.3 lipase with unique two lid structures.

    Science.gov (United States)

    Cheng, Maria; Angkawidjaja, Clement; Koga, Yuichi; Kanaya, Shigenori

    2012-10-01

    A family I.3 lipase from Pseudomonas sp. MIS38 (PML) is characterized by the presence of two lids (lid1 and lid2) that greatly change conformation upon substrate binding. While lid1 represents the commonly known lid in lipases, lid2 is unique to PML and other family I.3 lipases. To clarify the role of lid2 in PML, a lid2 deletion mutant (ΔL2-PML) was constructed by deleting residues 35-64 of PML. ΔL2-PML requires calcium ions for both lipase and esterase activities as does PML, suggesting that it exhibits activity only when lid1 is fully open and anchored by the catalytically essential calcium ion, as does PML. However, when the enzymatic activity was determined using triacetin, the activity of PML exponentially increased as the substrate concentration reached and increased beyond the critical micellar concentration, while that of ΔL2-PML did not. These results indicate that PML undergoes interfacial activation, while ΔL2-PML does not. The activities of ΔL2-PML for long-chain triglycerides significantly decreased while its activity for fatty acid ethyl esters increased, compared with those of PML. Comparison of the tertiary models of ΔL2-PML in a closed and open conformation, which are optimized by molecular dynamics simulation, with the crystal structures of PML suggests that the hydrophobic surface area provided by lid1 and lid2 in an open conformation is considerably decreased by the deletion of lid2. We propose that the hydrophobic surface area provided by these lids is necessary to hold the micellar substrates firmly to the active site and therefore lid2 is required for interfacial activation of PML. © 2012 The Authors Journal compilation © 2012 FEBS.

  12. Unique structure and stability of HmuY, a novel heme-binding protein of Porphyromonas gingivalis.

    Directory of Open Access Journals (Sweden)

    Halina Wójtowicz

    2009-05-01

    Full Text Available Infection, survival, and proliferation of pathogenic bacteria in humans depend on their capacity to impair host responses and acquire nutrients in a hostile environment. Among such nutrients is heme, a co-factor for oxygen storage, electron transport, photosynthesis, and redox biochemistry, which is indispensable for life. Porphyromonas gingivalis is the major human bacterial pathogen responsible for severe periodontitis. It recruits heme through HmuY, which sequesters heme from host carriers and delivers it to its cognate outer-membrane transporter, the TonB-dependent receptor HmuR. Here we report that heme binding does not significantly affect the secondary structure of HmuY. The crystal structure of heme-bound HmuY reveals a new all-beta fold mimicking a right hand. The thumb and fingers pinch heme iron through two apical histidine residues, giving rise to highly symmetric octahedral iron co-ordination. The tetrameric quaternary arrangement of the protein found in the crystal structure is consistent with experiments in solution. It shows that thumbs and fingertips, and, by extension, the bound heme groups, are shielded from competing heme-binding proteins from the host. This may also facilitate heme transport to HmuR for internalization. HmuY, both in its apo- and in its heme-bound forms, is resistant to proteolytic digestion by trypsin and the major secreted proteases of P. gingivalis, gingipains K and R. It is also stable against thermal and chemical denaturation. In conclusion, these studies reveal novel molecular properties of HmuY that are consistent with its role as a putative virulence factor during bacterial infection.

  13. Structure and properties of carbon black particles

    Science.gov (United States)

    Xu, Wei

    Structure and properties of carbon black particles were investigated using atomic force microscopy, gas adsorption, Raman spectroscopy, and X-ray diffraction. Supplementary information was obtained using TEM and neutron scattering. The AFM imaging of carbon black aggregates provided qualitative visual information on their morphology, complementary to that obtained by 3-D modeling based on TEM images. Our studies showed that carbon black aggregates were relatively flat. The surface of all untreated carbon black particles was found to be rough and its fractal dimension was 2.2. Heating reduced the roughness and fractal dimension for all samples heat treated at above 1300 K to 2.0. Once the samples were heat treated rapid cooling did not affect the surface roughness. However, rapid cooling reduced crystallite sizes, and different Raman spectra were obtained for carbon blacks of various history of heat treatment. By analyzing the Raman spectra we determined the crystallite sizes and identified amorphous carbon. The concentration of amorphous carbon depends on hydrogen content. Once hydrogen was liberated at increased temperature, the concentration of amorphous carbon was reduced and crystallites started to grow. Properties of carbon blacks at high pressure were also studied. Hydrostatic pressure did not affect the size of the crystallites in carbon black particles. The pressure induced shift in Raman frequency of the graphitic component was a result of increased intermolecular forces and not smaller crystallites. Two methods of determining the fractal dimension, the FHH model and the yardstick technique based on the BET theory were used in the literature. Our study proved that the FHH model is sensitive to numerous assumptions and leads to wrong conclusions. On the other hand the yardstick method gave correct results, which agreed with the AFM results.

  14. Additively manufactured metallic porous biomaterials based on minimal surfaces : A unique combination of topological, mechanical, and mass transport properties

    NARCIS (Netherlands)

    Bobbert, F S L; Lietaert, K; Eftekhari, A A; Pouran, B; Ahmadi, S M; Weinans, H; Zadpoor, A A

    2017-01-01

    Porous biomaterials that simultaneously mimic the topological, mechanical, and mass transport properties of bone are in great demand but are rarely found in the literature. In this study, we rationally designed and additively manufactured (AM) porous metallic biomaterials based on four different

  15. Structure and hydrodynamic properties of plectin molecules.

    Science.gov (United States)

    Foisner, R; Wiche, G

    1987-12-05

    Plectin is a cytoskeletal, high molecular weight protein of widespread and abundant occurrence in cultured cells and tissues. To study its molecular structure, the protein was purified from rat glioma C6 cells and subjected to chemical and biophysical analyses. Plectin's polypeptide chains have an apparent molecular weight of 300,000, as shown by one-dimensional sodium dodecyl sulfate/polyacrylamide electrophoresis. Cross-linking of non-denatured plectin in solution with dimethyl suberimidate and electrophoretic analyses on sodium dodecyl sulfate/agarose gels revealed that the predominant soluble plectin species was a molecule of 1200 X 10(3) Mr consisting of four 300 X 10(3) Mr polypeptide chains. Hydrodynamic properties of plectin in solution were obtained by sedimentation velocity centrifugation and high-pressure liquid chromatography analysis yielding a sedimentation coefficient of 10 S and a Stokes radius of 27 nm. The high f/fmin ratio of 4.0 indicated a very elongated shape of plectin molecules and an axial ratio of about 50. Shadowing and negative staining electron microscopy of plectin molecules revealed multiple domains: a rigid rod of 184 nm in length and 2 nm in diameter, and two globular heads of 9 nm diameter at each end of the rod. Circular dichroism spectra suggested a composition of 30% alpha-helix, 9% beta-structure and 61% random coil or aperiodic structure. The rod-like shape, the alpha-helix content as well as the thermal transition within a midpoint of 45 degrees C and the transition enthalpy (168 kJ/mol) of secondary structure suggested a double-stranded, alpha-helical coiled coil rod domain. Based on the available data, we favor a model of native plectin as a dumb-bell-like association of four 300 X 10(3) Mr polypeptide chains. Electron microscopy and turbidity measurements showed that plectin molecules self-associate into various oligomeric states in solutions of nearly physiological ionic strength. These interactions apparently involved

  16. Unique Piezoelectric Properties of the Monoclinic Phase in Pb (Zr ,Ti )O3 Ceramics: Large Lattice Strain and Negligible Domain Switching

    Science.gov (United States)

    Fan, Longlong; Chen, Jun; Ren, Yang; Pan, Zhao; Zhang, Linxing; Xing, Xianran

    2016-01-01

    The origin of the excellent piezoelectric properties at the morphotropic phase boundary is generally attributed to the existence of a monoclinic phase in various piezoelectric systems. However, there exist no experimental studies that reveal the role of the monoclinic phase in the piezoelectric behavior in phase-pure ceramics. In this work, a single monoclinic phase has been identified in Pb (Zr ,Ti )O3 ceramics at room temperature by in situ high-energy synchrotron x-ray diffraction, and its response to electric field has been characterized for the first time. Unique piezoelectric properties of the monoclinic phase in terms of large intrinsic lattice strain and negligible domain switching have been observed. The extensional strain constant d33 and the transverse strain constant d31 are calculated to be 520 and -200 pm /V , respectively. These large piezoelectric coefficients are mainly due to the large intrinsic lattice strain, with very little extrinsic contribution from domain switching. The unique properties of the monoclinic phase provide new insights into the mechanisms responsible for the piezoelectric properties at the morphotropic phase boundary.

  17. Unique Piezoelectric Properties of the Monoclinic Phase in Pb(Zr,Ti)O_{3} Ceramics: Large Lattice Strain and Negligible Domain Switching.

    Science.gov (United States)

    Fan, Longlong; Chen, Jun; Ren, Yang; Pan, Zhao; Zhang, Linxing; Xing, Xianran

    2016-01-15

    The origin of the excellent piezoelectric properties at the morphotropic phase boundary is generally attributed to the existence of a monoclinic phase in various piezoelectric systems. However, there exist no experimental studies that reveal the role of the monoclinic phase in the piezoelectric behavior in phase-pure ceramics. In this work, a single monoclinic phase has been identified in Pb(Zr,Ti)O_{3} ceramics at room temperature by in situ high-energy synchrotron x-ray diffraction, and its response to electric field has been characterized for the first time. Unique piezoelectric properties of the monoclinic phase in terms of large intrinsic lattice strain and negligible domain switching have been observed. The extensional strain constant d_{33} and the transverse strain constant d_{31} are calculated to be 520 and -200  pm/V, respectively. These large piezoelectric coefficients are mainly due to the large intrinsic lattice strain, with very little extrinsic contribution from domain switching. The unique properties of the monoclinic phase provide new insights into the mechanisms responsible for the piezoelectric properties at the morphotropic phase boundary.

  18. Synthesis route and structural properties of nanoferrites

    Energy Technology Data Exchange (ETDEWEB)

    Zaharieva, Katerina; Cherkezova-Zheleva, Zara; Kunev, Boris; Shopska, Maya; Mitov, Ivan [Institute of Catalysis, Bulgarian Academy of Sciences, Sofia (Bulgaria)

    2013-07-01

    The nano dimensional magnesium ferrite materials Mg{sub 0.25}Fe{sub 2.75}O{sub 4} , Mg{sub 0.5}Fe{sub 2.5}O{sub 4} and MgFe{sub 2}O{sub 4} with different stoichiometry were prepared by co-precipitation procedure using MgCl{sub 2} •6H{sub 2}O, FeCl{sub 2} •4H{sub 2}O and FeCl{sub 3} •6H{sub 2}O and NaOH as precipitant. The physicochemical methods - X-ray diffraction analysis, Moessbauer spectroscopy and FTIR spectroscopy were performed to investigate the structural properties of obtained nano size magnesium ferrite type samples. The registered experimental data were determined the presence of spinel ferrites and additional precursor phases as iron oxihydroxides and double layered hydroxides in ferrite materials MgxFe{sub 3-x}O{sub 4} (x=0.5;1). In the case of magnesium ferrite sample Mg{sub x}Fe{sub 3-x}O{sub 4} (x=0.25) the existence of non-stoichiometric spinel ferrite and intermediate phase - iron oxihydroxides were observed only. Key words: magnesium ferrites, co-precipitation, physicochemical methods.

  19. Structure and properties of hybrid coatings

    International Nuclear Information System (INIS)

    Pogrebnjak, A.D.; Vasilyuk, V.V.; Kravchenko, Yu.A.; Tyurin, Yu.N.; Alontseva, D.L.; Ponaryadov, V.V.; Ruzimov, Sh.M.

    2004-01-01

    Full text: This review report presents both the results obtained by the authors and those of other authors concerning investigations of structure and properties of hybrid coatings. Examples of such coatings as Al 2 O 3 /Cr/TiN/steel, TiC; TiN/Ti-V-Al; NiCr/steel; CrNiBSi/steel and others before and after electron beam irradiation had been considered. In these coatings the thickest layer was deposited using the high-velocity pulsed plasma jet, all others being deposited in vacuum by the vacuum-arc source or implanter. Advantages of the high-velocity pulsed plasma jet in comparison with other technologies had been demonstrated. A wide spectrum of analyzing methods had been applied for analyses: TEM, SEM with EDS, RBS, NRA, SIMS, XRD, tests for corrosion, wear, adhesion and hardness. The works had been funded by the Project 2M/03 54-2003 of the Ministry of Science and Education of Ukraine and STCU Project N3078

  20. Synthesis route and structural properties of nanoferrites

    International Nuclear Information System (INIS)

    Zaharieva, Katerina; Cherkezova-Zheleva, Zara; Kunev, Boris; Shopska, Maya; Mitov, Ivan

    2013-01-01

    The nano dimensional magnesium ferrite materials Mg 0.25 Fe 2.75 O 4 , Mg 0.5 Fe 2.5 O 4 and MgFe 2 O 4 with different stoichiometry were prepared by co-precipitation procedure using MgCl 2 •6H 2 O, FeCl 2 •4H 2 O and FeCl 3 •6H 2 O and NaOH as precipitant. The physicochemical methods - X-ray diffraction analysis, Moessbauer spectroscopy and FTIR spectroscopy were performed to investigate the structural properties of obtained nano size magnesium ferrite type samples. The registered experimental data were determined the presence of spinel ferrites and additional precursor phases as iron oxihydroxides and double layered hydroxides in ferrite materials MgxFe 3-x O 4 (x=0.5;1). In the case of magnesium ferrite sample Mg x Fe 3-x O 4 (x=0.25) the existence of non-stoichiometric spinel ferrite and intermediate phase - iron oxihydroxides were observed only. Key words: magnesium ferrites, co-precipitation, physicochemical methods

  1. Phase relations, crystal structures and physical properties of nuclear fuels

    International Nuclear Information System (INIS)

    Tagawa, Hiroaki; Fujino, Takeo; Tateno, Jun

    1975-07-01

    Phase relations, crystal structures and physical properties of the compounds for nuclear fuels are presented, including melting point, thermal expansion, diffusion and magnetic and electric properties. Emphasis is on oxides, carbides and nitrides of thorium, uranium and plutonium. (auth.)

  2. Surface morphology, structural and electrical properties of RF ...

    Indian Academy of Sciences (India)

    2018-05-19

    May 19, 2018 ... ITO thin films; sputtering; structure; electrical properties; AFM; Hall effect. 1. Introduction ... ness range (61–768 nm) and to see if this system present properties that .... using the Bragg equation, and the relation linking the inter-.

  3. The unique architecture and function of cellulose-interacting proteins in oomycetes revealed by genomic and structural analyses

    Directory of Open Access Journals (Sweden)

    Larroque Mathieu

    2012-11-01

    Full Text Available Abstract Background Oomycetes are fungal-like microorganisms evolutionary distinct from true fungi, belonging to the Stramenopile lineage and comprising major plant pathogens. Both oomycetes and fungi express proteins able to interact with cellulose, a major component of plant and oomycete cell walls, through the presence of carbohydrate-binding module belonging to the family 1 (CBM1. Fungal CBM1-containing proteins were implicated in cellulose degradation whereas in oomycetes, the Cellulose Binding Elicitor Lectin (CBEL, a well-characterized CBM1-protein from Phytophthora parasitica, was implicated in cell wall integrity, adhesion to cellulosic substrates and induction of plant immunity. Results To extend our knowledge on CBM1-containing proteins in oomycetes, we have conducted a comprehensive analysis on 60 fungi and 7 oomycetes genomes leading to the identification of 518 CBM1-containing proteins. In plant-interacting microorganisms, the larger number of CBM1-protein coding genes is expressed by necrotroph and hemibiotrophic pathogens, whereas a strong reduction of these genes is observed in symbionts and biotrophs. In fungi, more than 70% of CBM1-containing proteins correspond to enzymatic proteins in which CBM1 is associated with a catalytic unit involved in cellulose degradation. In oomycetes more than 90% of proteins are similar to CBEL in which CBM1 is associated with a non-catalytic PAN/Apple domain, known to interact with specific carbohydrates or proteins. Distinct Stramenopile genomes like diatoms and brown algae are devoid of CBM1 coding genes. A CBM1-PAN/Apple association 3D structural modeling was built allowing the identification of amino acid residues interacting with cellulose and suggesting the putative interaction of the PAN/Apple domain with another type of glucan. By Surface Plasmon Resonance experiments, we showed that CBEL binds to glycoproteins through galactose or N-acetyl-galactosamine motifs. Conclusions This study

  4. The study of polymeric hydro-gels with unique properties obtained by polymerization with gamma radiation processing

    International Nuclear Information System (INIS)

    Dragusin, M.

    1995-01-01

    This thesis presents the work carried out on polymeric hydro-gels obtained by radiation processing using 60 Co gamma rays from the irradiation facility IETI-10.000 (10 k Ci), and on the polymeric hydro-gels obtained by irradiation with the electron beams from a linear accelerator (6 MeV). The aim of the study was to determine the effect of the rate dose and total dose absorbed in the materials. There are presented the preparation methods of homo- and co-polymer hydro-gels (acrylics, namely anionic and neutral monomers (acrylamide, acrylic acid, vinyl acetate) and cationic monomers (di-methyl di-allyl ammonium chloride)) such as floculants, additives, absorbers, etc. Concerning with these we have analysed the preparation methods, the mechanical, thermal, diffusivity, and swelling properties of polymeric hydro-gels in a large variety of gels of type I or II. The technological aspects and end use were studied in connection with the characteristics of the radiation processing of these hydro-gels as a function of chemical composition rate and absorbed dose, swelling degree (low and very high hydro-soluble), mechanical and diffusional properties. (author) 33 figs., 12 tabs., 101 refs

  5. Structure and magnetic properties of Alnico ribbons

    Science.gov (United States)

    Zhang, Ce; Li, Ying; Han, Xu-Hao; Du, Shuai-long; Sun, Ji-bing; Zhang, Ying

    2018-04-01

    Al-Ni-Co alloy has been widely applied in various industrial fields due to its excellent thermal and magnetic stability. In this paper, new Al-Ni-Co ribbons are prepared by simple processes combining melt-spinning with annealing, and their phase transition, microstructure and magnetic properties are studied. The results show that after as-spun ribbons are annealed, the grain size of ribbons increases from 1.1 ± 0.3 μm to 4.8 ± 0.8 μm, but still much smaller than that of the bulk Al-Ni-Co alloy manufactured by traditional technologies. In addition, some rod-like Al70Co20Ni10-type, Al9Co2-type and Fe2Nb-type phases are precipitated at grain boundaries; simultaneously, the distinct spinodal decomposition microstructure with periodic ingredient variation is thoroughly formed in all grains by the reaction of α → α1 + α2. Furthermore, the α1 and α2 distribute alternately like a maze, the Fe-Co-rich α1 phase holds 35.9-47.3 vol%, while the Al-Ni-rich α2 phase occupies the rest. Finally, the coercivity of annealed ribbons can reach to 485.3 ± 76.6 Oe. If the annealed ribbons are further aged at 560 °C, their Hc even increases to 738.1 ± 81.0 Oe. The coercivity mechanism is discussed by the combination of microstructure and domain structure.

  6. Structure, properties, and MEMS and microelectronic applications of ...

    Indian Academy of Sciences (India)

    The transition metal oxides offer a wealth of unique physical, chemical, ... magnetic, and thermal properties which have occupied scientists and engineers for .... Instead, the Honeywell group took the approach of using a mixed oxide .... The result is an orange-coloured gel which can then be applied to substrates by any.

  7. On the Structural and Electrical Properties of Metal-Ferroelectric ...

    Indian Academy of Sciences (India)

    6

    Click here to view linked References. 1 ... memory applications due to their unique electrical properties [1-2]. ... considerable attention for their application as the gate material for MFeIS ... and precisely controlled for a particular ferroelectric layer. ..... leading to decrease in the net polarization and memory retention capacity.

  8. Structural, dielectric and electrical properties of ...

    Indian Academy of Sciences (India)

    Administrator

    Detailed studies of dielectric properties of the compound as a function of temperature at ... Microscope (Jeol, JSM-840), operated at 20 kV. The sin- tered pellet was .... grain boundaries, and provides the true picture of the electrical properties of ...

  9. Unique properties of multiple tandem copies of the M26 recombination hotspot in mitosis and meiosis in Schizosaccharomyces pombe.

    Science.gov (United States)

    Steiner, Walter W; Recor, Chelsea L; Zakrzewski, Bethany M

    2016-11-15

    The M26 hotspot of the fission yeast Schizosaccharomyces pombe is one of the best-characterized eukaryotic hotspots of recombination. The hotspot requires a seven bp sequence, ATGACGT, that serves as a binding site for the Atf1-Pcr1 transcription factor, which is also required for activity. The M26 hotspot is active in meiosis but not mitosis and is active in some but not all chromosomal contexts and not on a plasmid. A longer palindromic version of M26, ATGACGTCAT, shows significantly greater activity than the seven bp sequence. Here, we tested whether the properties of the seven bp sequence were also true of the longer sequence by placing one, two, or three copies of the sequence into the ade6 gene, where M26 was originally discovered. These constructs were tested for activity when located on a plasmid or on a chromosome in mitosis and meiosis. We found that two copies of the 10bp M26 motif on a chromosome were significantly more active for meiotic recombination than one, but no further increase was observed with three copies. However, three copies of M26 on a chromosome created an Atf1-dependent mitotic recombination hotspot. When located on a plasmid, M26 also appears to behave as a mitotic recombination hotspot; however, this behavior most likely results from Atf1-dependent inter-allelic complementation between the plasmid and chromosomal ade6 alleles. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Unique virulence properties of Yersinia enterocolitica O:3--an emerging zoonotic pathogen using pigs as preferred reservoir host.

    Science.gov (United States)

    Valentin-Weigand, Peter; Heesemann, Jürgen; Dersch, Petra

    2014-10-01

    Enteropathogenic Yersinia enterocolitica bioserotype 4/O:3 are the most frequent cause of human yersiniosis worldwide with symptoms ranging from mild diarrhea to severe complications of mesenteric lymphadenitis, liver abscesses and postinfectious extraintestinal sequelae. The main reservoir host of 4/O:3 strains are pigs, which represent a substantial disease-causing potential for humans, as they are usually asymptomatic carriers. Y. enterocolitica O:3 initiates infections by tight attachment to the intestinal mucosa. Colonization of the digestive tract is frequently followed by invasion of the intestinal layer primarily at the follicle-associated epithelium, allowing the bacteria to propagate in the lamina propria and disseminate into deeper tissues. Molecular characterization of Y. enterocolitica O:3 isolates led to the identification of (i) alternative virulence and fitness factors and (ii) small genetic variations which cause profound changes in their virulence gene expression pattern (e.g. constitutive expression of the primary invasion factor InvA). These changes provoke a major difference in the virulence properties, i.e. reduced colonization of intestinal tissues in mice, but improved long-term colonization in the pig intestine. Y. enterocolitica O:3 strains cause also a considerably lower level of proinflammatory cytokine IL-8 and higher levels of the anti-inflammatory cytokine IL-10 in porcine primary macrophages, as compared to murine macrophages, which could contribute to limiting inflammation, immunopathology and severity of the infection in pigs. Copyright © 2014 Elsevier GmbH. All rights reserved.

  11. Kainari, a Unique Greek Traditional Herbal Tea, from the Island of Lesvos: Chemical Analysis and Antioxidant and Antimicrobial Properties

    Directory of Open Access Journals (Sweden)

    Evangelia Bampali

    2018-01-01

    Full Text Available The chemical composition, as well as the total phenolic content (TPC and the potential antioxidant and antimicrobial activity, of three Kainari-herbal tea samples from different areas of Lesvos Island (Greece was evaluated. The rich aroma of the mixtures was studied through GC-MS, as well as through Headspace Solid-Phase Microextraction (HS-SPME/GC-MS analyses. Cinnamon, clove, nutmeg, pepper, and ginger were identified as main ingredients, while, throughout the chemical analysis of the volatiles of one selected sample, several secondary metabolites have been isolated and identified on the basis of GC-MS as well as spectral evidence as eugenol, cinnamic aldehyde and myristicin, cinnamyl alcohol, alpha-terpinyl acetate, and β-caryophyllene. Furthermore, two food dyes, azorubine and amaranth, were also isolated and identified from the infusions. The total phenolic content was estimated and the free radical scavenging activity was determined by DPPH and ABTS assays and the antimicrobial activity of the extracts was tested showing a very interesting profile against all the assayed microorganisms. Due to its very pleasant aroma and taste properties as well as to its bioactivities, Kainari-herbal tea could be further proposed as functional beverage.

  12. Quantitative Analysis of Major Factors Affecting Black Carbon Transport and Concentrations in the Unique Atmospheric Structures of Urban Environment

    Science.gov (United States)

    Liang, Marissa Shuang

    Black carbon (BC) from vehicular emission in transportation is a principal component of particulate matters ≤ 2.5 mum (PM2.5). PM2.5 and other diesel emission pollutants (e.g., NOx) are regulated by the Clean Air Act (CAA) according to the National Ambient Air Quality standards (NAAQS). This doctoral dissertation details a study on transport behaviors of black carbon and PM2.5 from transportation routes, their relations with the atmospheric structure of an urban formation, and their relations with the use of biodiesel fuels. The results have implications to near-road risk assessment and to the development of sustainable transportation solutions in urban centers. The first part of study quantified near-roadside black carbon transport as a function of particulate matter (PM) size and composition, as well as microclimatic variables (temperature and wind fields) at the interstate highway I-75 in northern Cincinnati, Ohio. Among variables examined, wind speed and direction significantly affect the roadside transport of black carbon and hence its effective emission factor. Observed non-Gaussian dispersion occurred during low wind and for wind directions at acute angles or upwind to the receptors, mostly occurring in the morning hours. Meandering of air pollutant mass under thermal inversion is likely the driving force. In contrary, Gaussian distribution predominated in daytime of strong downwinds. The roles of urban atmospheric structure, wind fields, and the urban heat island (UHI) effects were further examined on pollutant dispersion and transport. Spatiotemporal variations of traffic flow, atmospheric structure, ambient temperature and PM2.5 concentration data from 14 EPA-certified NAAQS monitoring stations, were analyzed in relation to land-use in the Cincinnati metropolitan area. The results show a decade-long UHI effects with higher interior temperature than that in exurban, and a prominent nocturnal thermal inversion frequent in urban boundary layer. The

  13. Manganites in Perovskite Superlattices: Structural and Electronic Properties

    KAUST Repository

    Jilili, Jiwuer

    2016-07-13

    Perovskite oxides have the general chemical formula ABO3, where A is a rare-earth or alkali-metal cation and B is a transition metal cation. Perovskite oxides can be formed with a variety of constituent elements and exhibit a wide range of properties ranging from insulators, metals to even superconductors. With the development of growth and characterization techniques, more information on their physical and chemical properties has been revealed, which diversified their technological applications. Perovskite manganites are widely investigated compounds due to the discovery of the colossal magnetoresistance effect in 1994. They have a broad range of structural, electronic, magnetic properties and potential device applications in sensors and spintronics. There is not only the technological importance but also the need to understand the fundamental mechanisms of the unusual magnetic and transport properties that drive enormous attention. Manganites combined with other perovskite oxides are gaining interest due to novel properties especially at the interface, such as interfacial ferromagnetism, exchange bias, interfacial conductivity. Doped manganites exhibit diverse electrical properties as compared to the parent compounds. For instance, hole doped La0.7Sr0.3MnO3 is a ferromagnetic metal, whereas LaMnO3 is an antiferromagnetic insulator. Since manganites are strongly correlated systems, heterojunctions composed of manganites and other perovskite oxides are sunject to complex coupling of the spin, orbit, charge, and lattice degrees of freedom and exhibit unique electronic, magnetic, and transport properties. Electronic reconstructions, O defects, doping, intersite disorder, magnetic proximity, magnetic exchange, and polar catastrophe are some effects to explain these interfacial phenomena. In our work we use first-principles calculations to study the structural, electronic, and magnetic properties of manganite based superlattices. Firstly, we investigate the electronic

  14. THE STRUCTURE AND MECHANICAL PROPERTIES OF SPINES FROM THE CACTUS OPUNTIA FICUS-INDICA

    Directory of Open Access Journals (Sweden)

    Wolfgang Gindl-Altmutter,

    2012-01-01

    Full Text Available The mechanical properties and structure of cactus Opuntia ficus-indica spines were characterised in bending and by means of x-ray diffraction. Using spruce wood cell walls for reference, the modulus of elasticity of Opuntia cactus spines was high in absolute terms, but comparable when specific values were considered, which can be explained by similarities in the cell wall structure of both materials. Differently from the modulus of elasticity, the bending strength of cactus spines was unexpectedly high both in absolute and in specific terms. The unique cellulose-arabinan composite structure of cactus spines, together with high cellulose crystallinity, may explain this finding.

  15. Structural and magnetic properties of nickel antimony ferrospinels

    Energy Technology Data Exchange (ETDEWEB)

    Ivanov, S. A.; Tellgren, R.; Porcher, F.; Andre, G.; Ericsson, T.; Nordblad, P; Sadovskaya, N.; Kaleva, G.; Politova, E.; Baldini, M.; Sun, C.; Arvanitis, D.; Kumar, P. Anil; Mathieu, R.

    2015-05-05

    Spinel-type compounds of Fe–Ni–Sb–O system were synthesized as polycrystalline powders. The crystal and magnetic properties were investigated using X-ray and neutron powder diffraction, Mössbauer and X-ray absorption spectroscopy and magnetization measurements. The samples crystallize in the cubic system, space group Fd – 3 m. The distribution of cations between octahedral and tetrahedral sites was refined from the diffraction data sets using constraints imposed by the magnetic, Mössbauer and EDS results and the ionic radii. The cation distribution and the temperature dependence of the lattice parameter (a) and the oxygen positional parameter (u) were obtained. A chemical formula close to Fe0.8Ni1.8Sb0.4O4 was determined, with Sb5+ cations occupying octahedral sites, and Fe3+ and Ni2+ occupying both tetrahedral and octahedral sites. Fe3+ mainly (85/15 ratio) occupy tetrahedral sites, and conversely Ni2+ mainly reside on octahedral ones. The magnetic unit cell is the same as the crystallographic one, having identical symmetry relations. The results indicate that the compounds have a collinear ferrimagnetic structure with antiferromagnetic coupling between the tetrahedral (A) and octahedral (B) sites. Uniquely, the temperature dependence of the net magnetization of this rare earth free ferrimagnet exhibits a compensation point.

  16. Tools to Understand Structural Property Relationships for Wood Cell Walls

    Science.gov (United States)

    Joseph E. Jakes; Daniel J. Yelle; Charles R. Frihart

    2011-01-01

    Understanding structure-property relationships for wood cell walls has been hindered by the complex polymeric structures comprising these cell walls and the difficulty in assessing meaningful mechanical property measurements of individual cell walls. To help overcome these hindrances, we have developed two experimental methods: 1) two-dimensional solution state nuclear...

  17. Flexible Nanocellulose - Nanoparticle Composites: Structures and Properties

    OpenAIRE

    UTHPALA MANAVI GARUSINGHE

    2018-01-01

    Nanocellulose is biodegradable and renewable and has many attractive properties of technological interest. Therefore, nanocellulose can be converted into thin films, which is used in wide range of applications. However, the property range achievable with nanocellulose by itself still has limitations. This thesis focuses on the production of nanocellulose-inorganic nanoparticle composites to combine the advantage associated with both individual components together to extend the range of proper...

  18. An integrated Drosophila model system reveals unique properties for F14512, a novel polyamine-containing anticancer drug that targets topoisomerase II.

    Directory of Open Access Journals (Sweden)

    Sonia Chelouah

    Full Text Available F14512 is a novel anti-tumor molecule based on an epipodophyllotoxin core coupled to a cancer-cell vectoring spermine moiety. This polyamine linkage is assumed to ensure the preferential uptake of F14512 by cancer cells, strong interaction with DNA and potent inhibition of topoisomerase II (Topo II. The antitumor activity of F14512 in human tumor models is significantly higher than that of other epipodophyllotoxins in spite of a lower induction of DNA breakage. Hence, the demonstrated superiority of F14512 over other Topo II poisons might not result solely from its preferential uptake by cancer cells, but could also be due to unique effects on Topo II interactions with DNA. To further dissect the mechanism of action of F14512, we used Drosophila melanogaster mutants whose genetic background leads to an easily scored phenotype that is sensitive to changes in Topo II activity and/or localization. F14512 has antiproliferative properties in Drosophila cells and stabilizes ternary Topo II/DNA cleavable complexes at unique sites located in moderately repeated sequences, suggesting that the drug specifically targets a select and limited subset of genomic sequences. Feeding F14512 to developing mutant Drosophila larvae led to the recovery of flies expressing a striking phenotype, "Eye wide shut," where one eye is replaced by a first thoracic segment. Other recovered F14512-induced gain- and loss-of-function phenotypes similarly correspond to precise genetic dysfunctions. These complex in vivo results obtained in a whole developing organism can be reconciled with known genetic anomalies and constitute a remarkable instance of specific alterations of gene expression by ingestion of a drug. "Drosophila-based anticancer pharmacology" hence reveals unique properties for F14512, demonstrating the usefulness of an assay system that provides a low-cost, rapid and effective complement to mammalian models and permits the elucidation of fundamental mechanisms of

  19. Fundamentals of amorphous solids structure and properties

    CERN Document Server

    Stachurski, Zbigniew H

    2014-01-01

    Long awaited, this textbook fills the gap for convincing concepts to describe amorphous solids. Adopting a unique approach, the author develops a framework that lays the foundations for a theory of amorphousness. He unravels the scientific mysteries surrounding the topic, replacing rather vague notions of amorphous materials as disordered crystalline solids with the well-founded concept of ideal amorphous solids. A classification of amorphous materials into inorganic glasses, organic glasses, glassy metallic alloys, and thin films sets the scene for the development of the model of ideal amorph

  20. Organic bulk heterojunction photovoltaic structures: design, morphology and properties

    International Nuclear Information System (INIS)

    Bulavko, G V; Ishchenko, A A

    2014-01-01

    Main approaches to the design of organic bulk heterojunction photovoltaic structures are generalized and systematized. Novel photovoltaic materials based on fullerenes, organic dyes and related compounds, graphene, conjugated polymers and dendrimers are considered. The emphasis is placed on correlations between the chemical structure and properties of materials. The effect of morphology of the photoactive layer on the photovoltaic properties of devices is analyzed. Main methods of optimization of the photovoltaic properties are outlined. The bibliography includes 338 references

  1. Electronic structure and properties of rare earth and actinide intermetallics

    International Nuclear Information System (INIS)

    Kirchmayr, H.R.

    1984-01-01

    There are 188 contributions, experimental and theoretical, a few on rare earth and actinide elements but mostly on rare earth and actinide intermetallic compounds and alloys. The properties dealt with include 1) crystal structure, 2) magnetic properties and magnetic structure, 3) magnetic phase transformations and valence fluctuations, 4) electrical properties and superconductivity and their temperature, pressure and magnetic field dependence. A few papers deal with crystal growth and novel measuring methods. (G.Q.)

  2. Foundations of compositional models: structural properties

    Czech Academy of Sciences Publication Activity Database

    Jiroušek, Radim; Kratochvíl, Václav

    2015-01-01

    Roč. 44, č. 1 (2015), s. 2-25 ISSN 0308-1079 R&D Projects: GA ČR GA13-20012S Grant - others:GA ČR(CZ) GAP403/12/2175 Program:GA Institutional support: RVO:67985556 Keywords : multidimensional distribution * conditional independence * composition * semigraphoid properties * running intersection property Subject RIV: BA - General Mathematics Impact factor: 1.677, year: 2015 http://library.utia.cas.cz/separaty/2015/MTR/jirousek-0442412.pdf

  3. Structure, reactivity, and biological properties of hidantoines

    International Nuclear Information System (INIS)

    Oliveira, Silvania Maria de; Silva, Joao Bosco Paraiso da; Hernandes, Marcelo Zaldini; Lima, Maria do Carmo Alves de; Galdino, Suely Lins; Pitta, Ivan da Rocha

    2008-01-01

    Hydantoin (imidazolidine-2,4-dione) is a 2,4-diketotetrahydroimidazole discovered by Baeyer in 1861. Thiohydantoins and derivatives were prepared, having chemical properties similar to the corresponding carbonyl compounds. Some biological activities (antimicrobial, anticonvulsant, schistosomicidal) are attributed to the chemical reactivity and consequent affinity of hydantoinic rings towards biomacromolecules. Therefore, knowledge about the chemistry of hydantoins has increased enormously. In this review, we present important aspects such as reactivity of hydantoins, acidity of hydantoins, spectroscopy and crystallographic properties, and biological activities of hydantoin and its derivatives. (author)

  4. Structural Characteristics and Physical Properties of Tectonically Deformed Coals

    OpenAIRE

    Yiwen Ju; Zhifeng Yan; Xiaoshi Li; Quanlin Hou; Wenjing Zhang; Lizhi Fang; Liye Yu; Mingming Wei

    2012-01-01

    Different mechanisms of deformation could make different influence on inner structure and physical properties of tectonically deformed coal (TDC) reservoirs. This paper discusses the relationship between macromolecular structure and physical properties of the Huaibei-Huainan coal mine areas in southern North China. The macromolecular structure and pore characteristics are systematically investigated by using techniques such as X-ray diffraction (XRD), high-resolution transmission electron mic...

  5. Preparation and properties of GO-PVA composite hydrogel with oriented structure

    Science.gov (United States)

    Liu, Huanqing; Zhang, Gongzheng; Li, Huanjun

    2017-03-01

    We fabricated GO-PVA composite hydrogels with oriented structure by directional freezing and repeated freeze-thawing, which owned superior mechanical property and thermostability than PVA hydrogel. Due to physical interactions such as hydrogen bonding between surface of GO and PVA chains, GO-PVA composite hydrogel possessed higher crosslinking density and smaller pore size and can resist higher temperature and stronger force from outside than PVA hydrogel. These unique properties will endow GO-PVA hydrogel with greater potential application in biomedical materials.

  6. Structural and elastic properties of porous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Matthai, C C [Department of Physics and Astronomy, University of Wales College of Cardiff, Cardiff CF2 3YB (United Kingdom); Gavartin, J L [Department of Physics and Astronomy, University of Wales College of Cardiff, Cardiff CF2 3YB (United Kingdom); Cafolla, A A [Department of Physics, Dublin City University, Dublin (Ireland)

    1995-01-15

    We have implemented a modified diffusion-limited aggregation model to simulate the porous silicon structure obtained by electrochemical dissolution. The resulting fractal structures were fully equilibrated using the molecular dynamics method. An analysis of the relaxed structure shows it to be quite stable with the presence of one-, two- and three-coordinated atoms as well as the four-coordinated atoms found in bulk silicon. It is suggested that the different substructures or nanocrystals might be responsible for the observed photoluminescence. ((orig.))

  7. Hydrothermal synthesis, crystal structure and luminescence property ...

    Indian Academy of Sciences (India)

    The design and construction of ... dination polymers. It is difficult to design coordination .... The first endotherm at about 180 ... graphic data for coordination polymer 1. ... Sheldrick G M 1997 SHELXS-97: Program for solution of crystal structures ...

  8. Electronic structure and optical properties of AIN under high pressure

    International Nuclear Information System (INIS)

    Li Zetao; Dang Suihu; Li Chunxia

    2011-01-01

    We have calculated the electronic structure and optical properties of Wurtzite structure AIN under different high pressure with generalized gradient approximation (GGA) in this paper. The total energy, density of state, energy band structure and optical absorption and reflection properties under high pressure are calculated. By comparing the changes of the energy band structure, we obtained AIN phase transition pressure for 16.7 GPa, which is a direct band structure transforming to an indirect band structure. Meanwhile, according to the density of states distribution and energy band structure, we analyzed the optical properties of AIN under high-pressure, the results showed that the absorption spectra moved from low-energy to high-energy. (authors)

  9. Glancing angle deposited Al-doped ZnO nanostructures with different structural and optical properties

    Energy Technology Data Exchange (ETDEWEB)

    Yildiz, A., E-mail: yildizab@gmail.com [Department of Physics and Astronomy, University of Arkansas at Little Rock, Little Rock, AR 72204 (United States); Department of Energy Systems Engineering, Faculty of Engineering and Natural Sciences, Yıldırım Beyazıt University, Ankara (Turkey); Cansizoglu, H. [Department of Physics and Astronomy, University of Arkansas at Little Rock, Little Rock, AR 72204 (United States); Turkoz, M. [Department of Physics and Astronomy, University of Arkansas at Little Rock, Little Rock, AR 72204 (United States); Department of Electrical-Electronic Engineering, Faculty of Engineering, University of Karabuk, Karabuk (Turkey); Abdulrahman, R.; Al-Hilo, Alaa; Cansizoglu, M.F.; Demirkan, T.M.; Karabacak, T. [Department of Physics and Astronomy, University of Arkansas at Little Rock, Little Rock, AR 72204 (United States)

    2015-08-31

    Al-doped ZnO (AZO) nanostructure arrays with different shapes (tilted rods, vertical rods, spirals, and zigzags) were fabricated by utilizing glancing angle deposition (GLAD) technique in a DC sputter growth unit at room temperature. During GLAD, all the samples were tilted at an oblique angle of about 90° with respect to incoming flux direction. In order to vary the shapes of nanostructures, each sample was rotated at different speeds around the substrate normal axis. Rotation speed did not only affect the shape but also changed the microstructural and optical properties of GLAD AZO nanostructures. The experimental results reveal that GLAD AZO nanostructures of different shapes each have unique morphological, crystal structure, mechanical, and optical properties determined by scanning electron microscopy, X-ray diffraction, transmission, and reflectance measurements. Vertical nanorods display the largest grain size, minimum strain, lowest defect density, and highest optical transmittance compared to the other shapes. Growth dynamics of GLAD has been discussed to explain the dependence of structural and optical properties of nanostructures on the substrate rotation speed. - Highlights: • Al-doped ZnO (AZO) nanostructures with different shapes were fabricated. • They have unique morphological, crystal structure, and optical properties. • Vertical AZO nanorods show an enhanced optical transmittance.

  10. String field theory. Algebraic structure, deformation properties and superstrings

    International Nuclear Information System (INIS)

    Muenster, Korbinian

    2013-01-01

    This thesis discusses several aspects of string field theory. The first issue is bosonic open-closed string field theory and its associated algebraic structure - the quantum open-closed homotopy algebra. We describe the quantum open-closed homotopy algebra in the framework of homotopy involutive Lie bialgebras, as a morphism from the loop homotopy Lie algebra of closed string to the involutive Lie bialgebra on the Hochschild complex of open strings. The formulation of the classical/quantum open-closed homotopy algebra in terms of a morphism from the closed string algebra to the open string Hochschild complex reveals deformation properties of closed strings on open string field theory. In particular, we show that inequivalent classical open string field theories are parametrized by closed string backgrounds up to gauge transformations. At the quantum level the correspondence is obstructed, but for other realizations such as the topological string, a non-trivial correspondence persists. Furthermore, we proof the decomposition theorem for the loop homotopy Lie algebra of closed string field theory, which implies uniqueness of closed string field theory on a fixed conformal background. Second, the construction of string field theory can be rephrased in terms of operads. In particular, we show that the formulation of string field theory splits into two parts: The first part is based solely on the moduli space of world sheets and ensures that the perturbative string amplitudes are recovered via Feynman rules. The second part requires a choice of background and determines the real string field theory vertices. Each of these parts can be described equivalently as a morphism between appropriate cyclic and modular operads, at the classical and quantum level respectively. The algebraic structure of string field theory is then encoded in the composition of these two morphisms. Finally, we outline the construction of type II superstring field theory. Specific features of the

  11. On some fundamental properties of structural topology optimization problems

    DEFF Research Database (Denmark)

    Stolpe, Mathias

    2010-01-01

    We study some fundamental mathematical properties of discretized structural topology optimization problems. Either compliance is minimized with an upper bound on the volume of the structure, or volume is minimized with an upper bound on the compliance. The design variables are either continuous o....... The presented examples can be used as teaching material in graduate and undergraduate courses on structural topology optimization....

  12. Structure-function-property-design interplay in biopolymers: spider silk.

    Science.gov (United States)

    Tokareva, Olena; Jacobsen, Matthew; Buehler, Markus; Wong, Joyce; Kaplan, David L

    2014-04-01

    Spider silks have been a focus of research for almost two decades due to their outstanding mechanical and biophysical properties. Recent advances in genetic engineering have led to the synthesis of recombinant spider silks, thus helping to unravel a fundamental understanding of structure-function-property relationships. The relationships between molecular composition, secondary structures and mechanical properties found in different types of spider silks are described, along with a discussion of artificial spinning of these proteins and their bioapplications, including the role of silks in biomineralization and fabrication of biomaterials with controlled properties. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  13. New membrane structures with proton conducting properties

    DEFF Research Database (Denmark)

    Nørgaard, Casper Frydendal

    if higher operating temperature is enabled. One approach to obtain improved membranes in the aspects of applicable operating temperature and methanol permeability, which has attracted considerable attention, is the formation of composites by distributing inorganic fillers into Nafion or alternative polymers...... temperature and high relative humidity can cause excessive swelling of the membranes, yielding insufficient mechanical properties and breakdown of membrane function. Moreover, in the case of the Direct Methanol Fuel Cell (DMFC), their significant methanol permeability causes loss of efficiency. Higher...

  14. Meteorite Unit Models for Structural Properties

    Science.gov (United States)

    Agrawal, Parul; Carlozzi, Alexander A.; Karajeh, Zaid S.; Bryson, Kathryn L.

    2017-10-01

    To assess the threat posed by an asteroid entering Earth’s atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the asteroid material properties is needed to achieve this objective. At present, the meteorite material found on earth are the only objects from an entering asteroid that can be used as representative material and be tested inside a laboratory. Due to complex composition, it is challenging and expensive to obtain reliable material properties by means of laboratory test for a family of meteorites. In order to circumvent this challenge, meteorite unit models are developed to determine the effective material properties including Young’s modulus, compressive and tensile strengths and Poisson’s ratio, that in turn would help deduce the properties of asteroids. The meteorite unit model is a representative volume that accounts for diverse minerals, porosity, cracks and matrix composition.The Young’s Modulus and Poisson’s Ratio in the meteorite units are calculated by performing several hundreds of Monte Carlo simulations by randomly distributing the various phases inside these units. Once these values are obtained, cracks are introduced in these units. The size, orientation and distribution of cracks are derived by CT-scans and visual scans of various meteorites. Subsequently, simulations are performed to attain stress-strain relations, strength and effective modulus values in the presence of these cracks. The meteorite unit models are presented for H, L and LL ordinary chondrites, as well as for terrestrial basalt. In the case of the latter, data from the simulations is compared with experimental data to validate the methodology. These meteorite unit models will be subsequently used in fragmentation modeling of full scale asteroids.

  15. Nanoemulsions: formation, structure, and physical properties

    International Nuclear Information System (INIS)

    Mason, T G; Wilking, J N; Meleson, K; Chang, C B; Graves, S M

    2006-01-01

    We summarize procedures for producing 'nanoemulsions' comprised of nanoscale droplets, or 'nanoemulsions', methods for controlling the droplet size distribution and composition, and interesting physical properties of nanoemulsions. In contrast to more common microscale emulsions, nanoemulsions exhibit optical transparency at high droplet volume fractions, φ, surprisingly strong elasticity at low φ, and enhanced diffusive transport and shelf stability. For these reasons, nanoemulsions have great potential in a wide range of industries including pharmaceuticals, foods, and personal care products. (topical review)

  16. Environmental effects on properties of structural alloys

    International Nuclear Information System (INIS)

    Chopra, O.K.; Smith, D.L.

    1984-01-01

    Corrosion data are presented for several austenitic and ferritic steels exposed at temperatures between 700 and 755 K in flowing lithium and Pb-17Li environments. The results indicate that dissolution rates for both steels are an order of magnitude greater in Pb-Li than in lithium. Tensile data for cold-worked type 316 stainless steel show that a flowing environment has no effect on the tensile properties of type 316 stainless steel at temperatures between 473 and 773 K

  17. Structure Property Relationships in Organic Conjugated Systems

    OpenAIRE

    O'Neill, Luke; Lynch, Patrick; McNamara, Mary

    2005-01-01

    A series of π conjugated oligomers were studied by absorption and photoluminescence spectroscopy. A linear relationship between the positioning of the absorption and photoluminescence maxima plotted against inverse conjugation length is observed. The relationships are in good agreement with the simple particle in a box method, one of the earliest descriptions of the properties of one-dimensional organic molecules. In addition to the electronic transition energies, it was observed that the Sto...

  18. Structure Property Relationships in Organic Conjugated Systems

    OpenAIRE

    O'Neill, Luke

    2008-01-01

    A series of pi(п) conjugated oligomers containing 1 to 6 monomer units were studied by absorption and photoluminescence spectroscopies. The results are discussed and examined with regard to the variation of the optical properties with the increase of effective conjugation length. It was found that there was a linear relationship between the positioning of the absorption and photoluminescence maxima plotted against inverse conjugation length. The relationships are in good agreement with the si...

  19. Electron beam crosslinked PVC : structure property relationships

    International Nuclear Information System (INIS)

    Gupta, Neeraj K.; Sabharwal, Sunil

    2001-01-01

    PVC is used extensively for its insulating properties for the manufacture of wires and cables and for other applications. Its gradual degradation, oxidation and even dehydro chlorination restricts use for long lasting period in installations such as high temperature zones, underground cables, communication systems, electro-nuclear facilities, etc. The technological properties and performance characteristics of PVC based insulation can be improved via crosslinking by high-energy electrons. PVC is however a polymer, which on irradiation predominantly undergoes degradation. To avoid degradation, it needs to be compounded with sensitizing agents or multifunctional monomers so that crosslinking is the predominant reaction. Radiation cross linkable formulations are complex mixtures of resin and various additives incorporated for achieving desired technological and performance characteristics, ease of processing and improving quality. The proper choice of additives and sensitizing agents enable low dose requirements for efficient crosslinking and improvements in various technological properties. The purposes of this work was to investigate the effect of using a binary sensitizer blend of a trifunctional monomer and a rubber in PVC, and develop suitable electron beam cross linkable formulations for wire insulation. This paper presents some aspects of the investigations and development of insulation demonstrated at industrial scale

  20. Structure and properties of diamond and diamond-like films

    Energy Technology Data Exchange (ETDEWEB)

    Clausing, R.E. [Oak Ridge National Lab., TN (United States)

    1993-01-01

    This section is broken into four parts: (1) introduction, (2) natural IIa diamond, (3) importance of structure and composition, and (4) control of structure and properties. Conclusions of this discussion are that properties of chemical vapor deposited diamond films can compare favorably with natural diamond, that properties are anisotropic and are a strong function of structure and crystal perfection, that crystal perfection and morphology are functions of growth conditions and can be controlled, and that the manipulation of texture and thereby surface morphology and internal crystal perfection is an important step in optimizing chemically deposited diamond films for applications.

  1. Composition-structure-property relation of oxide glasses

    DEFF Research Database (Denmark)

    Hermansen, Christian

    also increases such properties. Yet, these rules are not strictly followed even for the simplest binary oxide glasses, such as alkali silicates, borates and phosphates. In this thesis it is argued that the missing link between composition and properties is the glass structure. Structural models...... are proposed based on topological selection rules and experimentally verified. The relation between structure and properties is evaluated using topological constraint theory, which in its essence is a theory that quantifies the two intuitions of the glass scientist. The end result is a quantitative model...

  2. Crystal structure of Aquifex aeolicus gene product Aq1627: a putative phosphoglucosamine mutase reveals a unique C-terminal end-to-end disulfide linkage.

    Science.gov (United States)

    Sridharan, Upasana; Kuramitsu, Seiki; Yokoyama, Shigeyuki; Kumarevel, Thirumananseri; Ponnuraj, Karthe

    2017-06-27

    The Aq1627 gene from Aquifex aeolicus, a hyperthermophilic bacterium has been cloned and overexpressed in Escherichia coli. The protein was purified to homogeneity and its X-ray crystal structure was determined to 1.3 Å resolution using multiple wavelength anomalous dispersion phasing. The structural and sequence analysis of Aq1627 is suggestive of a putative phosphoglucosamine mutase. The structural features of Aq1627 further indicate that it could belong to a new subclass of the phosphoglucosamine mutase family. Aq1627 structure contains a unique C-terminal end-to-end disulfide bond, which links two monomers and this structural information can be used in protein engineering to make proteins more stable in different applications.

  3. Magnetic Properties of Three Impact Structures in Canada

    Science.gov (United States)

    Scott, R. G.; Pilkington, M.; Tanczyk, E. I.; Grieve, R. A. F.

    1995-09-01

    Magnetic anomaly lows associated with the West Hawk Lake (Manitoba), Deep Bay (Saskatchewan) and Clearwater Lakes (Quebec) impact structures, are variable in lateral extent and intensity, a characteristic shared with most impact structures [1]. Drill core from the centres of these structures provides a unique opportunity to ground truth the causes of the reduction in magnetic field intensity in impact structures. Magnetic susceptibility and remanent magnetization levels have been found to be well below regional levels in melt rocks, impact breccias, fractured/shocked basement rocks in the central uplifts, and post-impact sediments. Deep Bay, formed in Pre-Cambrian paragneisses, is a complex crater with a submerged central uplift. It has been extensively infilled with non-magnetic black shales of Cretaceous age [2]. An airborne magnetic low of about 100 nT is associated with the Deep Bay structure. Below the shales and along the rim of the structure are highly brecciated country rocks with variable amounts of very fine rock flour. Susceptibility and remanent magnetization are both weak due to extensive alteration in the brecciated rocks. Alteration of the brecciated rocks, and the effect of several hundred meters of non-magnetic sedimentary infill, both contribute to the magnetic low. West Hawk Lake, a simple crater, was excavated in metavolcanic and metasedimentary rocks of the Superior Province [3], and has a ground magnetic low of about 250 nT. As with Deep Bay, West Hawk Lake has been infilled with dominantly non-magnetic sediments. Brecciation and alteration are extensive, with breccia derived from greenschist-facies meta-andesite displaying slightly higher susceptibilities and remanent magnetizations than breccia derived from the more felsic metasediments. Brecciation has effectively randomized magnetization vectors, and subsequent alteration resulted in the destruction of magnetic phases. These two factors contribute to the magnetic low over this structure

  4. Two-photon fluorescent polysiloxane-based films with thermally responsive self switching properties achieved by a unique reversible spirocyclization mechanism.

    Science.gov (United States)

    Zuo, Yujing; Yang, Tingxin; Zhang, Yu; Gou, Zhiming; Tian, Minggang; Kong, Xiuqi; Lin, Weiying

    2018-03-14

    Responsiveness and reversibility are present in nature, and are ubiquitous in biological systems. The realization of reversibility and responsiveness is of great importance in the development of properties and the design of new materials. However, two-photon fluorescent thermal-responsive materials have not been reported to date. Herein, we engineered thermally responsive polysiloxane materials ( Dns-non ) that exhibited unique two-photon luminescence, and this is the first report about thermally responsive luminescent materials with two-photon fluorescence. The fluorescence of Dns-non could switch from the "on" to "off" state through a facile heating and cooling process, which could be observed by the naked eye. Monitoring the temperature of the CPU in situ was achieved by easily coating D1-non onto the CPU surface, which verified the potential application in devices of Dns-non . A unique alkaline tuned reversible transition mechanism of rhodamine-B from its spirocyclic to its ring-open state was proposed. Furthermore, Dns-non appeared to be a useful cell adhesive for the culture of cells on the surface. We believe that the constructed thermally responsive silicon films which have promising utilization as a new type of functional fluorescent material, may show broad applications in materials chemistry or bioscience.

  5. First principles study on structural, lattice dynamical and thermal properties of BaCeO3

    Science.gov (United States)

    Zhang, Qingping; Ding, Jinwen; He, Min

    2017-09-01

    BaCeO3 exhibits impressive application potentials on solid oxide fuel cell electrolyte, hydrogen separation membrane and photocatalyst, owing to its unique ionic and electronic properties. In this article, the electronic structures, phonon spectra and thermal properties of BaCeO3 in orthorhombic, rhombohedral and cubic phases are investigated based on density functional theory. Comparisons with reported experimental results are also presented. The calculation shows that orthorhombic structure is both energetically and dynamically stable under ground state, which is supported by the experiment. Moreover, charge transfer between cations and anions accompanied with phase transition is observed, which is responsible for the softened phonon modes in rhombohedral and cubic phases. Besides, thermal properties are discussed. Oxygen atoms contribute most to the specific heat. The calculated entropy and specific heat at constant pressure fit well with the experimental ones within the measured temperature range.

  6. The Structure of the Poxvirus A33 Protein Reveals a Dimer of Unique C-Type Lectin-Like Domains

    Energy Technology Data Exchange (ETDEWEB)

    Su, Hua-Poo; Singh, Kavita; Gittis, Apostolos G.; Garboczi, David N. (NIH)

    2010-11-03

    The current vaccine against smallpox is an infectious form of vaccinia virus that has significant side effects. Alternative vaccine approaches using recombinant viral proteins are being developed. A target of subunit vaccine strategies is the poxvirus protein A33, a conserved protein in the Chordopoxvirinae subfamily of Poxviridae that is expressed on the outer viral envelope. Here we have determined the structure of the A33 ectodomain of vaccinia virus. The structure revealed C-type lectin-like domains (CTLDs) that occur as dimers in A33 crystals with five different crystal lattices. Comparison of the A33 dimer models shows that the A33 monomers have a degree of flexibility in position within the dimer. Structural comparisons show that the A33 monomer is a close match to the Link module class of CTLDs but that the A33 dimer is most similar to the natural killer (NK)-cell receptor class of CTLDs. Structural data on Link modules and NK-cell receptor-ligand complexes suggest a surface of A33 that could interact with viral or host ligands. The dimer interface is well conserved in all known A33 sequences, indicating an important role for the A33 dimer. The structure indicates how previously described A33 mutations disrupt protein folding and locates the positions of N-linked glycosylations and the epitope of a protective antibody.

  7. Structure and Magnetic Properties of Lanthanide Nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Dickerson, James Henry [Vanderbilt Univ., Nashville, TN (United States)

    2014-06-01

    We have had considerable success on this project, particularly in the understanding of the relationship between nanostructure and magnetic properties in lanthanide nanocrystals. We also have successfully facilitated the doctoral degrees of Dr. Suseela Somarajan, in the Department of Physics and Astronomy, and Dr. Melissa Harrison, in the Materials Science Program. The following passages summarize the various accomplishments that were featured in 9 publications that were generated based on support from this grant. We thank the Department of Energy for their generous support of our research efforts in this area of materials science, magnetism, and electron microscopy.

  8. Electronic structure and properties of superheavy elements

    International Nuclear Information System (INIS)

    Pershina, V.

    2015-01-01

    Spectacular developments in the relativistic quantum theory and computational algorithms in the last few decades allowed for accurate calculations of properties of the superheavy elements (SHE) and their compounds. Often conducted in a close link to the experimental research, these investigations helped predict and interpret an outcome of sophisticated and expensive experiments with single atoms. Most of the works, particularly those related to the experimental studies, are overviewed in this publication. The role of relativistic effects being of paramount importance for the heaviest elements is elucidated.

  9. The unique hemoglobin system of Pleuragramma antarcticum, an antarctic migratory teleost. Structure and function of the three components.

    Science.gov (United States)

    Tamburrini, M; D'Avino, R; Fago, A; Carratore, V; Kunzmann, A; Prisco, G

    1996-09-27

    Pleuragramma antarcticum (suborder Notothenioidei, family Nototheniidae) is the most abundant fish in the antarctic shelf. This pelagic species has a circum-antarctic distribution and is characterized by spawning migration. This species displays the highest multiplicity of major hemoglobins (three); the other notothenioids have a single one (except one species, having two) with relatively low oxygen affinity regulated by pH and organophosphates. The hemoglobins of P. antarcticum display strong Bohr and Root effects; however, they reveal important functional differences in subunit cooperativity and organophosphate regulation and, above all, in the response of oxygenation to temperature. Despite the substitution ValbetaE11 --> Ile found in Hb 2, which decreases the affinity in human mutants, the hemoglobins have similar oxygen affinity, higher than that of the other notothenioids. Hb 1 has the alpha chain in common with Hb 2 and the beta in common with Hb 3. The amino acid sequence of all four chains has been established. Thus the hematological features of P. antarcticum differ remarkably from those of antarctic notothenioids. This unique and sophisticated oxygen transport system may adequately meet the requirements of the unusual mode of life of this fish.

  10. The Structure and Flexural Properties of Typha Leaves

    Directory of Open Access Journals (Sweden)

    Jingjing Liu

    2017-01-01

    Full Text Available The Typha leaf has a structure of lightweight cantilever beam, exhibiting excellent mechanical properties with low density. Especially, the leaf blade evolved high strength and low density with high porosity. In this paper, the structure of Typha leaf was characterized by microcomputed tomography (Micro-CT and scanning electron microscopy (SEM, and the relationship with flexural properties was analyzed. The three-point bending test was performed on leaves to examine flexural properties, which indicated that the flexural properties vary from the base to the apex in gradient. The cross-sectional geometry shape of the leaf blade presented a strong influence on the optimized flexural stiffness. The load carrying capacity of the leaf depended on the development level of the epidermal tissue, the vascular bundle, the mechanical tissue, and the geometric properties. The investigation can be the basis for lightweight structure design and the application in the bionic engineering field.

  11. Fused aromatic thienopyrazines: structure, properties and function

    KAUST Repository

    Mondal, Rajib

    2010-01-01

    Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier mobility in thin film transistor devices and mobilities up to 0.2 cm2/Vs were achieved. The optoelectronic properties of these fused aromatic thienopyrazine polymers (Eg = 1.3 to 1.6 eV, HOMO = -4.9 to -5.2 V) were tuned by introduction of various fused aromatic rings within thienopyrazine. By balancing the fundamental properties of these polymers, both high charge carrier mobilities and moderate PCEs in solar cells were achieved. Further, effects of copolymerizing units are discussed. Low band gap semiconducting polymer (Eg ∼ 1 eV) with high field effect mobility (0.044 cm2/Vs) was obtained using cyclopentadithiophene as copolymerizing unit. Finally, a molecular design approach to enhance the absorption coefficients is discussed, which resulted in improved power conversion efficiency in bulk heterojunction solar cells. © 2010 The Royal Society of Chemistry.

  12. One-pot synthesis of biocompatible Te-phenol formaldehyde resin core-shell nanowires with uniform size and unique fluorescent properties by a synergized soft-hard template process

    International Nuclear Information System (INIS)

    Qian Haisheng; Zhu Enbo; Zheng Shunji; Yang Xingyun; Li Liangchao; Tong Guoxiu; Li Zhengquan; Hu Yong; Guo Changfa; Guo Huichen

    2010-01-01

    One-pot hydrothermal process has been developed to synthesize uniform Te-phenol formaldehyde resin core-shell nanowires with unique fluorescent properties. A synergistic soft-hard template mechanism has been proposed to explain the formation of the core-shell nanowires. The Te-phenol formaldehyde resin core-shell nanowires display unique fluorescent properties, which give strong luminescent emission in the blue-violet and green regions with excitation wavelengths of 270 nm and 402 nm, respectively.

  13. One-pot synthesis of biocompatible Te@phenol formaldehyde resin core-shell nanowires with uniform size and unique fluorescent properties by a synergized soft-hard template process.

    Science.gov (United States)

    Qian, Haisheng; Zhu, Enbo; Zheng, Shunji; Li, Zhengquan; Hu, Yong; Guo, Changfa; Yang, Xingyun; Li, Liangchao; Tong, Guoxiu; Guo, Huichen

    2010-12-10

    One-pot hydrothermal process has been developed to synthesize uniform Te@phenol formaldehyde resin core-shell nanowires with unique fluorescent properties. A synergistic soft-hard template mechanism has been proposed to explain the formation of the core-shell nanowires. The Te@phenol formaldehyde resin core-shell nanowires display unique fluorescent properties, which give strong luminescent emission in the blue-violet and green regions with excitation wavelengths of 270 nm and 402 nm, respectively.

  14. One-pot synthesis of biocompatible Te-phenol formaldehyde resin core-shell nanowires with uniform size and unique fluorescent properties by a synergized soft-hard template process

    Energy Technology Data Exchange (ETDEWEB)

    Qian Haisheng; Zhu Enbo; Zheng Shunji; Yang Xingyun; Li Liangchao; Tong Guoxiu [Department of Chemistry, College of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004 (China); Li Zhengquan; Hu Yong; Guo Changfa [Institute of Physical Chemistry, Zhejiang Normal University, Jinhua 321004 (China); Guo Huichen, E-mail: shqian@zjnu.cn, E-mail: ghch-2004@hotmail.com [State Key Laboratory of Veterinary Etiological Biology and Key Laboratory of Animal Virology of Ministry of Agriculture, Lanzhou Veterinary Research Institute, Chinese Academy of Agricultural Sciences, Xujiaping 11, Lanzhou, Gansu 730046 (China)

    2010-12-10

    One-pot hydrothermal process has been developed to synthesize uniform Te-phenol formaldehyde resin core-shell nanowires with unique fluorescent properties. A synergistic soft-hard template mechanism has been proposed to explain the formation of the core-shell nanowires. The Te-phenol formaldehyde resin core-shell nanowires display unique fluorescent properties, which give strong luminescent emission in the blue-violet and green regions with excitation wavelengths of 270 nm and 402 nm, respectively.

  15. Structural and magnetic properties of nickel antimony ferrospinels

    Energy Technology Data Exchange (ETDEWEB)

    Ivanov, S.A. [Center of Materials Science, Karpov’ Institute of Physical Chemistry, Moscow, 105064 (Russian Federation); Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Tellgren, R. [Department of Chemistry, Uppsala University, Box 538, 751 21 Uppsala (Sweden); Porcher, F.; André, G. [Laboratoire Leon Brillouin, Saclay (France); Ericsson, T. [Department of Chemistry, Uppsala University, Box 538, 751 21 Uppsala (Sweden); Nordblad, P. [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Sadovskaya, N.; Kaleva, G.; Politova, E. [Center of Materials Science, Karpov’ Institute of Physical Chemistry, Moscow, 105064 (Russian Federation); Baldini, M. [HPSynC, Carnegie Institution of Washington, Argonne, IL 60439 (United States); Sun, C. [X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Arvanitis, D. [Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala (Sweden); Anil Kumar, P. [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Mathieu, R., E-mail: roland.mathieu@angstrom.uu.se [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden)

    2015-05-05

    Spinel-type compounds of Fe–Ni–Sb–O system were synthesized as polycrystalline powders. The crystal and magnetic properties were investigated using X-ray and neutron powder diffraction, Mössbauer and X-ray absorption spectroscopy and magnetization measurements. The samples crystallize in the cubic system, space group Fd – 3 m. The distribution of cations between octahedral and tetrahedral sites was refined from the diffraction data sets using constraints imposed by the magnetic, Mössbauer and EDS results and the ionic radii. The cation distribution and the temperature dependence of the lattice parameter (a) and the oxygen positional parameter (u) were obtained. A chemical formula close to Fe{sub 0.8}Ni{sub 1.8}Sb{sub 0.4}O{sub 4} was determined, with Sb{sup 5+} cations occupying octahedral sites, and Fe{sup 3+} and Ni{sup 2+} occupying both tetrahedral and octahedral sites. Fe{sup 3+} mainly (85/15 ratio) occupy tetrahedral sites, and conversely Ni{sup 2+} mainly reside on octahedral ones. The magnetic unit cell is the same as the crystallographic one, having identical symmetry relations. The results indicate that the compounds have a collinear ferrimagnetic structure with antiferromagnetic coupling between the tetrahedral (A) and octahedral (B) sites. Uniquely, the temperature dependence of the net magnetization of this rare earth free ferrimagnet exhibits a compensation point. - Highlights: • Polycrystalline spinel-type compounds of (Fe,Ni)[Fe,Ni,Sb]2O4 were synthesized. • Fe (3+) and Ni (2+) cations occupy mainly tetrahedral (resp. octahedral) sites. • The ferrimagnetic behavior observed below 650 K is investigated in detail. • Squid magnetometry and neutron powder diffraction data are compared.

  16. Structural and magnetic properties of nickel antimony ferrospinels

    International Nuclear Information System (INIS)

    Ivanov, S.A.; Tellgren, R.; Porcher, F.; André, G.; Ericsson, T.; Nordblad, P.; Sadovskaya, N.; Kaleva, G.; Politova, E.; Baldini, M.; Sun, C.; Arvanitis, D.; Anil Kumar, P.; Mathieu, R.

    2015-01-01

    Spinel-type compounds of Fe–Ni–Sb–O system were synthesized as polycrystalline powders. The crystal and magnetic properties were investigated using X-ray and neutron powder diffraction, Mössbauer and X-ray absorption spectroscopy and magnetization measurements. The samples crystallize in the cubic system, space group Fd – 3 m. The distribution of cations between octahedral and tetrahedral sites was refined from the diffraction data sets using constraints imposed by the magnetic, Mössbauer and EDS results and the ionic radii. The cation distribution and the temperature dependence of the lattice parameter (a) and the oxygen positional parameter (u) were obtained. A chemical formula close to Fe 0.8 Ni 1.8 Sb 0.4 O 4 was determined, with Sb 5+ cations occupying octahedral sites, and Fe 3+ and Ni 2+ occupying both tetrahedral and octahedral sites. Fe 3+ mainly (85/15 ratio) occupy tetrahedral sites, and conversely Ni 2+ mainly reside on octahedral ones. The magnetic unit cell is the same as the crystallographic one, having identical symmetry relations. The results indicate that the compounds have a collinear ferrimagnetic structure with antiferromagnetic coupling between the tetrahedral (A) and octahedral (B) sites. Uniquely, the temperature dependence of the net magnetization of this rare earth free ferrimagnet exhibits a compensation point. - Highlights: • Polycrystalline spinel-type compounds of (Fe,Ni)[Fe,Ni,Sb]2O4 were synthesized. • Fe (3+) and Ni (2+) cations occupy mainly tetrahedral (resp. octahedral) sites. • The ferrimagnetic behavior observed below 650 K is investigated in detail. • Squid magnetometry and neutron powder diffraction data are compared

  17. Structural, optical and electrical properties of chemically deposited ...

    Indian Academy of Sciences (India)

    Structural, optical and electrical properties of chemically deposited nonstoichiometric copper ... One of these compounds, CuInSe2, with its optical absorption .... is clear from SEM images that the number of grains goes on increasing with the ...

  18. Structural properties of carbon nanotubes derived from 13C NMR

    KAUST Repository

    Abou-Hamad, E.; Babaa, M.-R.; Bouhrara, M.; Kim, Y.; Saih, Y.; Dennler, S.; Mauri, F.; Basset, Jean-Marie; Goze-Bac, C.; Wå gberg, T.

    2011-01-01

    We present a detailed experimental and theoretical study on how structural properties of carbon nanotubes can be derived from 13C NMR investigations. Magic angle spinning solid state NMR experiments have been performed on single- and multiwalled

  19. Thermodynamical properties and thermoelastic coupling of complex macroscopic structure

    International Nuclear Information System (INIS)

    Fabbri, M.; Sacripanti, A.

    1996-11-01

    Gross qualitative/quantitative analysis about thermodynamical properties and thermoelastic coupling (or elastocaloric effect) of complex macroscopic structure (running shoes) is performed by infrared camera. The experimental results showed the achievability of a n industrial research project

  20. Detonation-synthesis nanodiamonds: synthesis, structure, properties and applications

    Energy Technology Data Exchange (ETDEWEB)

    Dolmatov, Valerii Yu [Federal State Unitary Enterprise Special Design-Technology Bureau (FSUE SDTB) ' ' Tekhnolog' ' at the St Petersburg State Institute of Technology (Technical University) (Russian Federation)

    2007-04-30

    The review outlines the theoretical foundations and industrial implementations of modern detonation synthesis of nanodiamonds and chemical purification of the nanodiamonds thus obtained. The structure, key properties and promising fields of application of detonation-synthesis nanodiamonds are considered.

  1. Detonation-synthesis nanodiamonds: synthesis, structure, properties and applications

    International Nuclear Information System (INIS)

    Dolmatov, Valerii Yu

    2007-01-01

    The review outlines the theoretical foundations and industrial implementations of modern detonation synthesis of nanodiamonds and chemical purification of the nanodiamonds thus obtained. The structure, key properties and promising fields of application of detonation-synthesis nanodiamonds are considered.

  2. Manganites in Perovskite Superlattices: Structural and Electronic Properties

    KAUST Repository

    Jiwuer, Jilili

    2016-01-01

    Perovskite manganites are widely investigated compounds due to the discovery of the colossal magnetoresistance effect in 1994. They have a broad range of structural, electronic, magnetic properties and potential device applications in sensors

  3. Unveiling DNA structural properties of promoter regions of ...

    Indian Academy of Sciences (India)

    Aditya Kumar

    Unveiling DNA structural properties of promoter regions of prokaryotic transcriptome and their role in gene expression. Aditya Kumar. Assistant Professor. Molecular Biology & Biotechnology. Tezpur University. Tezpur – 784028, Assam ...

  4. Structure, health benefits, antioxidant property and processing and ...

    African Journals Online (AJOL)

    Structure, health benefits, antioxidant property and processing and storage of carotenoids. ... It is sensitive to heat, light and oxygen. Enzymatic ... Thermal treatment and freezing increases the extractability of b-carotene from the food matrices.

  5. Effect of spin polarization on the structural properties and bond ...

    Indian Academy of Sciences (India)

    ties such as structural, hardness, Young modulus and frac- ture toughness ... measurements showed that hardness ranged between 14.5 and 19GPa ... the relative binding forces, is a useful fundamental property. ..... strength [36,39]. Zhang et ...

  6. Ground state structures and properties of small hydrogenated silicon

    Indian Academy of Sciences (India)

    Unknown

    To understand the structural evolutions and properties of silicon cluster due to hydrogenation ... partly due to the growing importance of these systems in applications like .... of the system. Using the Lagrangian (1), equations of motions for the.

  7. Organogels thermodynamics, structure, solvent role, and properties

    CERN Document Server

    Guenet, Jean-Michel

    2016-01-01

    This book provides a physics-oriented introduction to organogels with a comparison to polymer thermoreversible gels whenever relevant. The past decade has seen the development of a wide variety of newly-synthesized molecules that can spontaneously self-assemble or crystallize from their organic or aqueous solutions to produce fibrillar networks, namely organogels, with potential applications in organic electronics, light harvesting, bio-imaging, non-linear optics, and the like. This compact volume presents a detailed outlook of these novel molecular systems with special emphasis upon their thermodynamics, morphology, molecular structure, and rheology. The definition of these complex systems is also tackled, as well as the role of the solvent. The text features numerous temperature-phase diagrams for a variety of organogels as well as illustrations of their structures at the microscopic, mesoscopic and macroscopic level. A review of some potential applications is provided including hybrid functional materials ...

  8. Simulated optical properties of noble metallic nanopolyhedra with different shapes and structures

    Science.gov (United States)

    Zhang, An-Qi; Qian, Dong-Jin; Chen, Meng

    2013-11-01

    The optical properties of nanostructured architectures are highly sensitive to their compositions, structures, dimensions, geometries and embedding mediums. Nanopolyhedra, including homogeneous metal nanoparticles and core-shell structures, have unique optical properties. In the beginning of this study, Discrete Dipole Approximation (DDA) method has been introduced. Then the simulated extinction spectra of single-component metal nanoparticles and Au@Ag polyhedra were calculated using both Mie and DDA methods. The influence of morphology and components on the optical response is discussed and well-supported by previously published experimental results. It is observed that the Localized Surface Plasmon Resonance peaks are mainly decided by sharp vertexes and symmetry of noble metallic polyhedra, as well as the structure of the Au@Ag core-shell nanoparticles.

  9. Microwave assisted growth of nanorods vanadium dioxide VO2 (R): structural and electrical properties

    Science.gov (United States)

    Derkaoui, I.; Khenfouch, M.; Mothudi, B. M.; Moloi, S. J.; Zorkani, I.; Jorio, A.; Maaza, M.

    2018-03-01

    Nanostructured metal oxides have attracted a lot of attention recently owning to their unique structural advantages and demonstrated promising chemical and physical properties for various applications. In this study, we report the structural and electrical properties of vanadium dioxide VO2 (R) prepared via a single reaction microwave (SRC) synthesis. Our results are revealing that the components of VO2 (R) films have a rod-like shape with a uniform size distribution. The nanorods with very smooth and flat surfaces have a typical length of up to 2μm and a width of about several nanometers. The structural investigations reveal the high crystallinity of VO2 (R) ensuring good electrical contact and showing a high conductivity as a function of temperature. This synthesis method provides a new simple route to fabricate one-dimensional nanostructured metal oxides which is suitable for a large field of applications especially for smart windows.

  10. Structure-Property Relationships in Polycyanurate / Graphene Networks

    Science.gov (United States)

    2015-12-12

    Briefing Charts 3. DATES COVERED (From - To) 17 Nov 2015 – 12 Dec 2015 4. TITLE AND SUBTITLE Structure-Property Relationships in Polycyanurate...ANSI Std. 239.18 1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Structure-Property Relationships in...the attractive processing characteristics of LECy are retained in graphene oxide / LECy mixtures. Impurities, such as aryl phenols and transition metals

  11. Mechanical properties along interfaces of bonded structures in fusion reactors

    International Nuclear Information System (INIS)

    Hassan, M.H.; Kulcinski, G.L.

    1993-01-01

    Proper assessment of the mechanical properties along interfaces of bonded structures currently used in many fusion reactor designs is essential to compare the different fabrication techniques. A Mechanical Properties Microprobe (MPM) was used to measure hardness and Young's modules along the interfaces of Be/Cu bonded structure. The MPM was able to distinguish different fabrication techniques by a direct measurement of the hardness, Young's modules, and H/E 2 which reflects the ability of deformation of the interfacial region

  12. Structural Fluctuations and Thermophysical Properties of Molten II-VI Compounds

    Science.gov (United States)

    Su, Ching-Hua; Zhu, Shen; Li, Chao; Scripa, R.; Lehoczky, Sandra L.; Kim, Y. W.; Baird, J. K.; Lin, B.; Ban, Heng; Benmore, Chris

    2003-01-01

    The objectives of the project are to conduct ground-based experimental and theoretical research on the structural fluctuations and thermophysical properties of molten II-VI compounds to enhance the basic understanding of the existing flight experiments in microgravity materials science programs as well as to study the fundamental heterophase fluctuation phenomena in these melts by: 1) conducting neutron scattering analysis and measuring quantitatively the relevant thermophysical properties of the II-VI melts (such as viscosity, electrical conductivity, thermal diffusivity and density) as well as the relaxation characteristics of these properties to advance the understanding of the structural properties and the relaxation phenomena in these melts and 2) performing theoretical analyses on the melt systems to interpret the experimental results. All the facilities required for the experimental measurements have been procured, installed and tested. It has long been recognized that liquid Te presents a unique case having properties between those of metals and semiconductors. The electrical conductivity for Te melt increases rapidly at melting point, indicating a semiconductor-metal transition. Te melts comprise two features, which are usually considered to be incompatible with each other: covalently bound atoms and metallic-like behavior. Why do Te liquids show metallic behavior? is one of the long-standing issues in liquid metal physics. Since thermophysical properties are very sensitive to the structural variations of a melt, we have conducted extensive thermophysical measurements on Te melt.

  13. High thermoelectric properties of (Sb, Bi)2Te3 nanowire arrays by tilt-structure engineering

    Science.gov (United States)

    Tan, Ming; Hao, Yanming; Deng, Yuan; Chen, Jingyi

    2018-06-01

    In this paper, we present an innovative tilt-structure design concept for (Sb, Bi)2Te3 nanowire array assembled by high-quality nanowires with well oriented growth, utilizing a simple vacuum thermal evaporation technique. The unusual tilt-structure (Sb, Bi)2Te3 nanowire array with a tilted angle of 45° exhibits a high thermoelectric dimensionless figure-of-merit ZT = 1.72 at room temperature. The relatively high ZT value in contrast to that of previously reported (Sb, Bi)2Te3 materials and the vertical (Sb, Bi)2Te3 nanowire arrays evidently reveals the crucial role of the unique tilt-structure in favorably influencing carrier and phonon transport properties, resulting in a significantly improved ZT value. The transport mechanism of such tilt-structure is proposed and investigated. This method opens a new approach to optimize nano-structure in thin films for next-generation thermoelectric materials and devices.

  14. Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors

    Energy Technology Data Exchange (ETDEWEB)

    Whitehead, Lewis; Dobler, Markus R.; Radetich, Branko; Zhu, Yanyi; Atadja, Peter W.; Claiborne, Tavina; Grob, Jonathan E.; McRiner, Andrew; Pancost, Margaret R.; Patnaik, Anup; Shao, Wenlin; Shultz, Michael; Tichkule, Ritesh; Tommasi, Ruben A.; Vash, Brian; Wang, Ping; Stams, Travis (Novartis)

    2013-11-20

    Herein we report the discovery of a family of novel yet simple, amino-acid derived class I HDAC inhibitors that demonstrate isoform selectivity via access to the internal acetate release channel. Isoform selectivity criteria is discussed on the basis of X-ray crystallography and molecular modeling of these novel inhibitors bound to HDAC8, potentially revealing insights into the mechanism of enzymatic function through novel structural features revealed at the atomic level.

  15. High-performance ceramics. Fabrication, structure, properties

    International Nuclear Information System (INIS)

    Petzow, G.; Tobolski, J.; Telle, R.

    1996-01-01

    The program ''Ceramic High-performance Materials'' pursued the objective to understand the chaining of cause and effect in the development of high-performance ceramics. This chain of problems begins with the chemical reactions for the production of powders, comprises the characterization, processing, shaping and compacting of powders, structural optimization, heat treatment, production and finishing, and leads to issues of materials testing and of a design appropriate to the material. The program ''Ceramic High-performance Materials'' has resulted in contributions to the understanding of fundamental interrelationships in terms of materials science, which are summarized in the present volume - broken down into eight special aspects. (orig./RHM)

  16. Determining the Mechanical Properties of Lattice Block Structures

    Science.gov (United States)

    Wilmoth, Nathan

    2013-01-01

    Lattice block structures and shape memory alloys possess several traits ideal for solving intriguing new engineering problems in industries such as aerospace, military, and transportation. Recent testing at the NASA Glenn Research Center has investigated the material properties of lattice block structures cast from a conventional aerospace titanium alloy as well as lattice block structures cast from nickel-titanium shape memory alloy. The lattice block structures for both materials were sectioned into smaller subelements for tension and compression testing. The results from the cast conventional titanium material showed that the expected mechanical properties were maintained. The shape memory alloy material was found to be extremely brittle from the casting process and only compression testing was completed. Future shape memory alloy lattice block structures will utilize an adjusted material composition that will provide a better quality casting. The testing effort resulted in baseline mechanical property data from the conventional titanium material for comparison to shape memory alloy materials once suitable castings are available.

  17. Using nonlinearity and spatiotemporal property modulation to control effective structural properties: dynamic rods

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel; Blekhman, Iliya I.

    2007-01-01

    What are the effective properties of a generally nonlinear material or structure, whose local properties are modulated in both space and time? It has been suggested to use spatiotemporal modulation of structural properties to create materials and structures with adjustable effective properties......, and to call these dynamic materials or spatiotemporal composites. Also, according to theoretical predictions, structural nonlinearity enhances the possibilities of achieving specific effective properties. For example, with an elastic rod having cubical elastic nonlinearities, it seems possible to control......, and exemplified. Then simple approximate analytical expressions are derived for the effective wave speed and natural frequencies for one-dimensional wave propagation in a nonlinear elastic rod, where the spatiotemporal modulation is imposed as a high-frequency standing wave, supposed to be given. Finally the more...

  18. Structure and electronic properties of azadirachtin.

    Science.gov (United States)

    de Castro, Elton A S; de Oliveira, Daniel A B; Farias, Sergio A S; Gargano, Ricardo; Martins, João B L

    2014-02-01

    We performed a combined DFT and Monte Carlo (13)C NMR chemical-shift study of azadirachtin A, a triterpenoid that acts as a natural insect antifeedant. A conformational search using a Monte Carlo technique based on the RM1 semiempirical method was carried out in order to establish its preferred structure. The B3LYP/6-311++G(d,p), wB97XD/6-311++G(d,p), M06/6-311++G(d,p), M06-2X/6-311++G(d,p), and CAM-B3LYP/6-311++G(d,p) levels of theory were used to predict NMR chemical shifts. A Monte Carlo population-weighted average spectrum was produced based on the predicted Boltzmann contributions. In general, good agreement between experimental and theoretical data was obtained using both methods, and the (13)C NMR chemical shifts were predicted highly accurately. The geometry was optimized at the semiempirical level and used to calculate the NMR chemical shifts at the DFT level, and these shifts showed only minor deviations from those obtained following structural optimization at the DFT level, and incurred a much lower computational cost. The theoretical ultraviolet spectrum showed a maximum absorption peak that was mainly contributed by the tiglate group.

  19. Optical properties of arbuscular mycorrhizal fungal structures

    International Nuclear Information System (INIS)

    Perez, Adverdi; V-Hernandez, Alejandra; Rudamas, Carlos; Dreyer, Beatriz

    2008-01-01

    It was already reported by B. Dreyer at al. [1] that all fungal structures, both intra- and extra-radical fluoresced under blue light excitation regardless of their state (dead or alive). The source of the so called autofluorescence appears to be localized in the fungal cell wall. This supports the use of photoluminescence for the evaluation of AM colonization. However, the interpretation of these results is still in discussion [1-4]. In this work, arbuscular mycorrhizal spores were isolated from the rhizosphere of mango (Mangifera indica L.) plants by the method of wet sieving and decanting of Gerdemann and Nicolson [5] and studied by photoluminescence spectroscopy. Our experimental setup consists of an epifluorescence microscope (EM) coupled to a CCD-spectrometer through an arrangement of a home-made-telescope + fiber optic. This experimental setup allows the capture of images of the mycorrhizal structures (as usual in a standard epifluorescence microscope) combined with measurements of their corresponding emission bands. The preliminary results based on images obtained by standard EM do not clearly show that the emission is originated in the fungal cell walls as reported in Ref. 1. On the other hand, a very broad emission band in the visible part of the electromagnetic spectrum was observed in these spores by exciting at 450-490 nm and 300- 380 nm. We obtain a Full Width at Half Maximum (FWHM) of around 200 nm for this emission band whichis centered at 515 nm. This broad band seems to be composed of two narrower bands peaked around 494 and 547 nm and with FWHM of 50 nm and 150 nm, respectively. The profile of the observed emission band is in good agreement with the bands reported in Ref. 1 for vesicles, arbuscules and spores measured using the λ-Scan of a confocal laser scanning microscope. However, our results for spores show that the maxima of the narrower bands are shifted to higher energies in comparison to the corresponding bands observed in Ref. 1

  20. Optical properties of semiconductors quantum microcavity structures

    International Nuclear Information System (INIS)

    Afshar, A.M.

    1996-12-01

    The principal phenomenon investigated in this thesis is vacuum Rabi coupling in semiconductor microcavity structures. In these structures quantum well excitons are embedded in a Fabry - Perot like cavity, defined by two semiconductor dielectric mirrors. In such a system the coupled exciton and cavity photon mode form a mixed - mode polariton, where on - resonance there are two branches, each having 50% exciton and 50% photon character. The separation between the upper and lower branches is a measure of the coupling strength where the strength is dependent on the exciton oscillator strength. This interaction is known as vacuum Rabi coupling, and clear anticrossing is seen when the exciton is tuned through the cavity. In our reflectivity experiments we demonstrate control of the coupling between the cavity mode and the exciton by varying temperature, applied electric or magnetic field. Modelling of the reflectivity spectra and the tuning was done using a Transfer Matrix Reflectivity (TMR) model or a linear dispersion model, where in both cases the excitons are treated as Lorentz oscillators. Temperature tuning is achieved because exciton energy decreases with temperature at a much faster rate than the cavity mode. We have demonstrated vacuum Rabi coupling of the cavity mode with both the heavy - hole and light - hole excitons. Electric field tuning is achieved via the quantum confined Stark effect which decreases the exciton energy with increasing field, whilst at the same time the cavity mode energy remains constant. A study of how the electric field reduction of exciton oscillator strength reduces the vacuum Rabi coupling strength is performed. We report the first observation in a semiconductor structure of motional narrowing, seen in both electric field and in temperature tuning experiments at high magnetic field. In magnetic field studies we show how magnetic field induced increase in exciton oscillator strength affects the vacuum Rabi coupling. We also show by

  1. Composition-Structure-Property Relationships in Boroaluminosilicate Glasses

    DEFF Research Database (Denmark)

    Zheng, Qiuju; Potuzak, M.; Mauro, J.C.

    2012-01-01

    boroaluminosilicate glasses from peralkaline to peraluminous compositions by substituting Al2O3 for SiO2. Our results reveal a pronounced change in all the measured physical properties (density, elastic moduli, hardness, glass transition temperature, and liquid fragility) around [Al2O3]–[Na2O]=0. The structural......The complicated structural speciation in boroaluminosilicate glasses leads to a mixed network former effect yielding nonlinear variation in many macroscopic properties as a function of chemical composition. Here we study the composition–structure–property relationships in a series of sodium...

  2. Structured epitaxial graphene: growth and properties

    International Nuclear Information System (INIS)

    Hu Yike; Ruan Ming; Guo Zelei; Dong Rui; Palmer, James; Hankinson, John; Berger, Claire; Heer, Walt A de

    2012-01-01

    Graphene is generally considered to be a strong candidate to succeed silicon as an electronic material. However, to date, it actually has not yet demonstrated capabilities that exceed standard semiconducting materials. Currently demonstrated viable graphene devices are essentially limited to micrometre-sized ultrahigh-frequency analogue field effect transistors and quantum Hall effect devices for metrology. Nanoscopically patterned graphene tends to have disordered edges that severely reduce mobilities thereby obviating its advantage over other materials. Here we show that graphene grown on structured silicon carbide surfaces overcomes the edge roughness and promises to provide an inroad into nanoscale patterning of graphene. We show that high-quality ribbons and rings can be made using this technique. We also report on the progress towards high-mobility graphene monolayers on silicon carbide for device applications. (paper)

  3. Effects of Structural Correlations on Electronic Properties

    International Nuclear Information System (INIS)

    Pastawski, H.M.; Weisz, J.F.

    1984-01-01

    A one dimensional alloy model is treated in the nearest neighbour tight binding approximation in which the correlation of the atoms can be adjusted. The correlation can be changed from a situation in which there is a tendency for atoms to alternate to a situation in which the atoms are randomly located, consistent with a fixed concentration c for A c B 1-c . The results show that when there is short range order, at certain energies there is a tendency for localized states and formation of structure induced minimum in the density of states. The results for the ordered case are similar to those of Charge Density Wave (CDW). A smooth transition is carried out between this case and the randomly disordered case which behaves like the Anderson model for uncorrelated disorder. (M.W.O.) [pt

  4. Structures and properties of anionic clay minerals

    International Nuclear Information System (INIS)

    Koch, Chr. Bender

    1998-01-01

    The Moessbauer spectra of pyroaurite-sjoegrenite-type compounds (PTC) (layered anion exchangers) are discussed with reference to the crystal structure, cation order, and crystallite morphology. It is shown that cation-ordered layers are produced in the synthesis of carbonate and sulphate types of green rust. In contrast, synthetic and natural pyroaurite only occurs as disordered types. The redox chemistry of Fe(III) within the metal hydroxide layer is illustrated with examples of electrochemical oxidation and reversible reduction by boiling glycerol. The chemistry of iron in the interlayer is exemplified by the intercalation of Fe-cyanide complexes in hydrotalcite. This reaction may be used as a probe for the charge distribution in the interlayer

  5. Kinetic and structural studies reveal a unique binding mode of sulfite to the nickel center in urease.

    Science.gov (United States)

    Mazzei, Luca; Cianci, Michele; Benini, Stefano; Bertini, Leonardo; Musiani, Francesco; Ciurli, Stefano

    2016-01-01

    Urease is the most efficient enzyme known to date, and catalyzes the hydrolysis of urea using two Ni(II) ions in the active site. Urease is a virulence factor in several human pathogens, while causing severe environmental and agronomic problems. Sporosarcina pasteurii urease has been used extensively in the structural characterization of the enzyme. Sodium sulfite has been widely used as a preservative in urease solutions to prevent oxygen-induced oxidation, but its role as an inhibitor has also been suggested. In the present study, isothermal titration microcalorimetry was used to establish sulfite as a competitive inhibitor for S. pasteurii urease, with an inhibition constant of 0.19mM at pH7. The structure of the urease-sulfite complex, determined at 1.65Å resolution, shows the inhibitor bound to the dinuclear Ni(II) center of urease in a tridentate mode involving bonds between the two Ni(II) ions in the active site and all three oxygen atoms of the inhibitor, supporting the observed competitive inhibition kinetics. This coordination mode of sulfite has never been observed, either in proteins or in small molecule complexes, and could inspire synthetic coordination chemists as well as biochemists to develop urease inhibitors based on this chemical moiety. Copyright © 2015 Elsevier Inc. All rights reserved.

  6. CsAg{sub 5}Te{sub 3}: a new metal-rich telluride with a unique tunnel structure

    Energy Technology Data Exchange (ETDEWEB)

    Jing, Li [Rutgers Univ., Camden, NJ (United States). Dept. of Chem.; Hongyou, Guo [Rutgers Univ., Camden, NJ (United States). Dept. of Chem.; Xiang, Zhang [Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry; Kanatzidis, M G [Michigan State Univ., East Lansing, MI (United States). Dept. of Chemistry

    1995-02-15

    The synthesis and structure of a new ternary silver telluride, CsAg{sub 5}Te{sub 3}, is described. The compound was prepared from a Cs{sub 2}Te-CaTe-Te flux but it can also be prepared from a direct combination of Cs{sub 2}Te and Ag{sub 2}Te under vacuum at 600 C. The crystal data for CsAg{sub 5}Te{sub 3} at 20 C (Mo K{alpha} radiation) are as follows: a=14.672(2) A and c=4.601(3) A; V=990.5(8) A{sup 3}; Z=4; D{sub calc}=7.075 g cm{sup -3}; space group, P4{sub 2} /mnm (No. 136); 2{theta}{sub max}=50 ; number of independent data collected, 572; number of data observed with I>3{sigma}(I), 267; number of variables, 32; {mu}=218.51 cm{sup -1}; extinction coefficient, 0.585x10{sup -7}; final R=0.040; R{sub w}=0.046; goodness of fit, 1.42. The compound features a new structure type with Cs{sup +}-filled, relatively large tunnels running through the lattice. The material is a semiconductor with a band gap of about 0.65 eV. ((orig.))

  7. Unique cellular structures in the parotid gland of an Old world fruit bat, Pteropus lylei (Lyle's flying fox).

    Science.gov (United States)

    Lanlua, Passara; Sricharoenvej, Sirinush; Niyomchan, Apichaya; Chico, Diane E

    2007-01-01

    Pteropus lylei (Lyle's flying fox), an Old World fruit bat, consumes only ripe fruit, which contains low protein and sodium. The carpophagous diet of P. lylei presents an adaptive challenge for salivary glands to conserve sufficient nutrition for living. Therefore, the parotid glands in both sexes were investigated by using light microscopy and transmission electron microscopy. No structural difference was observed in the parotid glands between sexes. The acinar cell contained dense serous secretory granules, prominent luminal microvilli and intercellular canaliculi. The intercalated duct exhibited simple cuboidal epithelium with no secretory granule. Striated duct consisted of simple columnar epithelium with basal striation, numerous elongated mitochondria, and apical vesicles. In the interlobular duct, simple tall columnar epithelium and apocrine secretion were found. The interlobar and excretory ducts surprisingly contained continuous capillaries that intervened in stratified cuboidal epithelium. In addition, there were several blood vessels around the interlobular, interlobar and excretory ducts. The morphological adaptation of the parotid gland observed in P. lylei enables this species to obtain sufficient nutrients from the preferred consumption of ripe fruit. Serous secretory granule was suitable for digestion of ripe fruit. A well-developed striated duct, continuous capillaries among the epithelial cells of interlobar and excretory ducts, and numerous blood vessels around these ducts enhanced the reabsorption of amino acids and ions. Structural variations in the parotid gland can indicate not only a correlation to diet and survival but also a close relationship of the Old World fruit bat to other kinds of bats.

  8. Microvessel organization and structure in experimental brain tumors: microvessel populations with distinctive structural and functional properties.

    Science.gov (United States)

    Schlageter, K E; Molnar, P; Lapin, G D; Groothuis, D R

    1999-11-01

    We studied microvessel organization in five brain tumor models (ENU, MSV, RG-2, S635cl15, and D-54MG) and normal brain, including microvessel diameter (LMVD), intermicrovessel distance (IMVD), microvessel density (MVD), surface area (S(v)), and orientation. LMVD and IMVD were larger and MVD was lower in tumors than normal brain. S(v) in tumors overlapped normal brain values and orientation was random in both tumors and brain. ENU and RG-2 tumors and brain were studied by electron microscopy. Tumor microvessel wall was thicker than that of brain. ENU and normal brain microvessels were continuous and nonfenestrated. RG-2 microvessels contained fenestrations and endothelial gaps; the latter had a maximum major axis of 3.0 microm. Based on anatomic measurements, the pore area of RG-2 tumors was estimated at 7.4 x 10(-6) cm(2) g(-1) from fenestrations and 3.5 x 10(-5) cm(2) g(-1) from endothelial gaps. Increased permeability of RG-2 microvessels to macromolecules is most likely attributable to endothelial gaps. Three microvessel populations may occur in brain tumors: (1) continuous nonfenestrated, (2) continuous fenestrated, and (3) discontinuous (with or without fenestrations). The first group may be unique to brain tumors; the latter two are similar to microvessels found in systemic tumors. Since structure-function properties of brain tumor microvessels will affect drug delivery, studies of microvessel function should be incorporated into clinical trials of brain tumor therapy, especially those using macromolecules. Copyright 1999 Academic Press.

  9. Mechanical Properties for Reliability Analysis of Structures in Glassy Carbon

    CERN Document Server

    Garion, Cédric

    2014-01-01

    Despite its good physical properties, the glassy carbon material is not widely used, especially for structural applications. Nevertheless, its transparency to particles and temperature resistance are interesting properties for the applications to vacuum chambers and components in high energy physics. For example, it has been proposed for fast shutter valve in particle accelerator [1] [2]. The mechanical properties have to be carefully determined to assess the reliability of structures in such a material. In this paper, mechanical tests have been carried out to determine the elastic parameters, the strength and toughness on commercial grades. A statistical approach, based on the Weibull’s distribution, is used to characterize the material both in tension and compression. The results are compared to the literature and the difference of properties for these two loading cases is shown. Based on a Finite Element analysis, a statistical approach is applied to define the reliability of a structural component in gl...

  10. Comparative study of the physiochemical and structural properties of ...

    African Journals Online (AJOL)

    A comparative analysis of some physiochemical and structural parameters of brown (mature) and green (immature) coconut fibre as adsorbents was studied. The physiochemical and structural properties evaluated were surface area, moisture content, pH, bulk density, pore volume, porosity, ash content, tortuocity and metal ...

  11. Effect of annealing time on structural and magnetic properties of ...

    Indian Academy of Sciences (India)

    We studied the effects on the structural and magnetic properties of Fe3O4 thin films. The films have been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and vibrating sample magnetometry (VSM). XRD studies showed pure single phase spinel cubic structure of Fe3O4 with a preferential [111] ...

  12. Structure, composition and mechanical properties of the silk fibres of ...

    Indian Academy of Sciences (India)

    The silk egg case and orb web of spiders are elaborate structures that are assembled from a number of components. We analysed the structure, the amino acid and fibre compositions, and the tensile properties of the silk fibres of the egg case of Nephila clavata. SEM shows that the outer and inner covers of the egg case ...

  13. Thermodynamic and structural properties in complexing media

    International Nuclear Information System (INIS)

    Di Giandomenico, M.V.

    2007-10-01

    Protactinium is experiencing a renewal of interest in the frame of long-term energy production. Modelling the behaviour of this element in the geosphere requires thermodynamic and structural data relevant to environmental conditions. Now deep clayey formation are considered for the disposal of radioactive waste and high values of natural sulphate contents have been determined in pore water in equilibrium with clay surface. Because of its tendency to polymerisation, hydrolysis and sorption on all solid supports, the equilibria constants relative to monomer species were determined at tracer scale (ca. 10 - 12 M) with 233 Pa. The complexation constants of Pa(V) and sulphate ions were calculated starting from a systematic study of the apparent distribution coefficient D in the system TTA/Toluene/H 2 O/Na 2 SO 4 /HClO 4 /NaClO 4 and as a function of ionic strength, temperature, free sulphate, protons and chelatant concentration. First of all, the interaction between free species H + , SO 4 - , Na + leads to the formation of HSO 4 - and NaSO 4 - , for which concentrations depend upon the related thermodynamic constants. For this purpose a computer code was developed in order to determine all free species concentration. This iterative code takes into account the influence of temperature and ionic strength (SIT modelling) on thermodynamic constants. The direct measure of Pa(V) in the organic and aqueous phase by g-spectrometry had conducted to estimate the apparent distribution coefficient D as function of free sulphate ions. Complexation constants have been determined after a mathematical treatment of D. The extrapolation of these constants at zero ionic strength have been realized by SIT modelling at different temperatures. Besides, enthalpy and entropy values were calculated. Parallelly, the structural study of Pa(V) was performed using 231 Pa. XANES and EXAFS spectra show unambiguously the absence of the trans di-oxo bond that characterizes the other early actinide

  14. Mechanistic and Structural Insights Into the Unique TetR-Dependent Regulation of a Drug Efflux Pump in Mycobacterium abscessus.

    Science.gov (United States)

    Richard, Matthias; Gutiérrez, Ana Victoria; Viljoen, Albertus J; Ghigo, Eric; Blaise, Mickael; Kremer, Laurent

    2018-01-01

    Mycobacterium abscessus is an emerging human pathogen causing severe pulmonary infections and is refractory to standard antibiotherapy, yet few drug resistance mechanisms have been reported in this organism. Recently, mutations in MAB_4384 leading to up-regulation of the MmpS5/MmpL5 efflux pump were linked to increased resistance to thiacetazone derivatives. Herein, the DNA-binding activity of MAB_4384 was investigated by electrophoretic mobility shift assays using the palindromic sequence IR S5/L5 located upstream of mmpS5/mmpL5 . Introduction of point mutations within IR S5/L5 identified the sequence requirements for optimal binding of the regulator. Moreover, formation of the protein/IR S5/L5 complex was severely impaired for MAB_4384 harboring D14N or F57L substitutions. IR S5/L5 /lacZ reporter fusions in M. abscessus demonstrated increased β-galactosidase activity either in strains lacking a functional MAB_4384 or in cultures treated with the TAC analogs. In addition, X-ray crystallography confirmed a typical TetR homodimeric structure of MAB_4384 and unraveled a putative ligand binding site in which the analogs could be docked. Overall, these results support drug recognition of the MAB_4384 TetR regulator, alleviating its binding to IR S5/L5 and steering up-regulation of MmpS5/MmpL5. This study provides new mechanistic and structural details of TetR-dependent regulatory mechanisms of efflux pumps and drug resistance in mycobacteria.

  15. The crystal structure of Haloferax volcanii proliferating cell nuclear antigen reveals unique surface charge characteristics due to halophilic adaptation

    Directory of Open Access Journals (Sweden)

    Morroll Shaun

    2009-08-01

    Full Text Available Abstract Background The high intracellular salt concentration required to maintain a halophilic lifestyle poses challenges to haloarchaeal proteins that must stay soluble, stable and functional in this extreme environment. Proliferating cell nuclear antigen (PCNA is a fundamental protein involved in maintaining genome integrity, with roles in both DNA replication and repair. To investigate the halophilic adaptation of such a key protein we have crystallised and solved the structure of Haloferax volcanii PCNA (HvPCNA to a resolution of 2.0 Å. Results The overall architecture of HvPCNA is very similar to other known PCNAs, which are highly structurally conserved. Three commonly observed adaptations in halophilic proteins are higher surface acidity, bound ions and increased numbers of intermolecular ion pairs (in oligomeric proteins. HvPCNA possesses the former two adaptations but not the latter, despite functioning as a homotrimer. Strikingly, the positive surface charge considered key to PCNA's role as a sliding clamp is dramatically reduced in the halophilic protein. Instead, bound cations within the solvation shell of HvPCNA may permit sliding along negatively charged DNA by reducing electrostatic repulsion effects. Conclusion The extent to which individual proteins adapt to halophilic conditions varies, presumably due to their diverse characteristics and roles within the cell. The number of ion pairs observed in the HvPCNA monomer-monomer interface was unexpectedly low. This may reflect the fact that the trimer is intrinsically stable over a wide range of salt concentrations and therefore additional modifications for trimer maintenance in high salt conditions are not required. Halophilic proteins frequently bind anions and cations and in HvPCNA cation binding may compensate for the remarkable reduction in positive charge in the pore region, to facilitate functional interactions with DNA. In this way, HvPCNA may harness its environment as

  16. The crystal structure of Haloferax volcanii proliferating cell nuclear antigen reveals unique surface charge characteristics due to halophilic adaptation

    Science.gov (United States)

    Winter, Jody A; Christofi, Panayiotis; Morroll, Shaun; Bunting, Karen A

    2009-01-01

    Background The high intracellular salt concentration required to maintain a halophilic lifestyle poses challenges to haloarchaeal proteins that must stay soluble, stable and functional in this extreme environment. Proliferating cell nuclear antigen (PCNA) is a fundamental protein involved in maintaining genome integrity, with roles in both DNA replication and repair. To investigate the halophilic adaptation of such a key protein we have crystallised and solved the structure of Haloferax volcanii PCNA (HvPCNA) to a resolution of 2.0 Å. Results The overall architecture of HvPCNA is very similar to other known PCNAs, which are highly structurally conserved. Three commonly observed adaptations in halophilic proteins are higher surface acidity, bound ions and increased numbers of intermolecular ion pairs (in oligomeric proteins). HvPCNA possesses the former two adaptations but not the latter, despite functioning as a homotrimer. Strikingly, the positive surface charge considered key to PCNA's role as a sliding clamp is dramatically reduced in the halophilic protein. Instead, bound cations within the solvation shell of HvPCNA may permit sliding along negatively charged DNA by reducing electrostatic repulsion effects. Conclusion The extent to which individual proteins adapt to halophilic conditions varies, presumably due to their diverse characteristics and roles within the cell. The number of ion pairs observed in the HvPCNA monomer-monomer interface was unexpectedly low. This may reflect the fact that the trimer is intrinsically stable over a wide range of salt concentrations and therefore additional modifications for trimer maintenance in high salt conditions are not required. Halophilic proteins frequently bind anions and cations and in HvPCNA cation binding may compensate for the remarkable reduction in positive charge in the pore region, to facilitate functional interactions with DNA. In this way, HvPCNA may harness its environment as opposed to simply surviving in

  17. The structural heterogeneity and optical properties in chalcogenide glass films

    International Nuclear Information System (INIS)

    Shurgalin, Max; Fuflyigin, Vladimir N; Anderson, Emilia G

    2005-01-01

    The microscopic structure and optical properties of glassy films prepared by vapour phase deposition process from the germanium-arsenic-selenium family of chalcogenide glasses have been studied. A number of different molecular clusters or domains that can exist in the glass structure are found to play a significant role in determining the absorption characteristics and refractive index of the glass films. Modifications of the glass structure can be described by a variation of relative concentrations of the clusters and can be effected by modifications of film chemical composition and deposition conditions. Changes in absorption spectra are directly correlated with variation in relative concentrations of the structural fragments with different electronic bandgap properties. Experimental results suggest structural heterogeneity and support validity of the cluster structural model for the chalcogenide glasses

  18. The Effect of Bedding Structure on Mechanical Property of Coal

    Directory of Open Access Journals (Sweden)

    Zetian Zhang

    2014-01-01

    Full Text Available The mechanical property of coal, influencing mining activity considerably, is significantly determined by the natural fracture distributed within coal mass. In order to study the effecting mechanism of bedding structure on mechanical property of coal, a series of uniaxial compression tests and mesoscopic tests have been conducted. The experimental results show that the distribution characteristic of calcite particles, which significantly influences the growth of cracks and the macroscopic mechanical properties of coal, is obviously affected by the bedding structure. Specifically, the uniaxial compression strength of coal sample is mainly controlled by bedding structure, and the average peak stress of specimens with axes perpendicular to the bedding planes is 20.00 MPa, which is 2.88 times the average amount of parallel ones. The test results also show a close relationship between the bedding structure and the whole deformation process under uniaxial loading.

  19. Structure and transport properties of nanostructured materials.

    Science.gov (United States)

    Sonwane, C G; Li, Q

    2005-03-31

    In the present manuscript, we have presented the simulation of nanoporous aluminum oxide using a molecular-dynamics approach with recently developed dynamic charge transfer potential using serial/parallel programming techniques (Streitz and Mintmire Phys. Rev. B 1994, 50, 11996). The structures resembling recently invented ordered nanoporous crystalline material, MCM-41/SBA-15 (Kresge et al. Nature 1992, 359, 710), and inverted porous solids (hollow nanospheres) with up to 10 000 atoms were fabricated and studied in the present work. These materials have been used for separation of gases and catalysis. On several occasions including the design of the reactor, the knowledge of surface diffusion is necessary. In the present work, a new method for estimating surface transport of gases based on a hybrid Monte Carlo method with unbiased random walk of tracer atom on the pore surface has been introduced. The nonoverlapping packings used in the present work were fabricated using an algorithm of very slowly settling rigid spheres from a dilute suspension into a randomly packed bed. The algorithm was modified to obtain unimodal, homogeneous Gaussian and segregated bimodal porous solids. The porosity of these solids was varied by densification using an arbitrary function or by coarsening from a highly densified pellet. The surface tortuosity for the densified solids indicated an inverted bell shape curve consistent with the fact that at very high porosities there is a reduction in the connectivity while at low porosities the pores become inaccessible or dead-end. The first passage time distribution approach was found to be more efficient in terms of computation time (fewer tracer atoms needed for the linearity of Einstein's plot). Results by hybrid discrete-continuum simulations were close to the discrete simulations for a boundary layer thickness of 5lambda.

  20. Transport properties of electrons in fractal magnetic-barrier structures

    Science.gov (United States)

    Sun, Lifeng; Fang, Chao; Guo, Yong

    2010-09-01

    Quantum transport properties in fractal magnetically modulated structures are studied by the transfer-matrix method. It is found that the transmission spectra depend sensitively not only on the incident energy and the direction of the wave vector but also on the stage of the fractal structures. Resonance splitting, enhancement, and position shift of the resonance peaks under different magnetic modulation are observed at four different fractal stages, and the relationship between the conductance in the fractal structure and magnetic modulation is also revealed. The results indicate the spectra of the transmission can be considered as fingerprints for the fractal structures, which show the subtle correspondence between magnetic structures and transport behaviors.

  1. Numerical calculations of effective elastic properties of two cellular structures

    International Nuclear Information System (INIS)

    Tuncer, Enis

    2005-01-01

    Young's moduli of regular two-dimensional truss-like and eye-shaped structures are simulated using the finite element method. The structures are idealizations of soft polymeric materials used in ferro-electret applications. In the simulations, the length scales of the smallest representative units are varied, which changes the dimensions of the cell walls in the structures. A power-law expression with a quadratic as the exponent term is proposed for the effective Young's moduli of the systems as a function of the solid volume fraction. The data are divided into three regions with respect to the volume fraction: low, intermediate and high. The parameters of the proposed power-law expression in each region are later represented as a function of the structural parameters, the unit-cell dimensions. The expression presented can be used to predict a structure/property relationship in materials with similar cellular structures. The contribution of the cell-wall thickness to the elastic properties becomes significant at concentrations >0.15. The cell-wall thickness is the most significant factor in predicting the effective Young's modulus of regular cellular structures at high volume fractions of solid. At lower concentrations of solid, the eye-shaped structure yields a lower Young's modulus than a truss-like structure with similar anisotropy. Comparison of the numerical results with those of experimental data for poly(propylene) show good agreement regarding the influence of cell-wall thickness on elastic properties of thin cellular films

  2. The roles of the RIIβ linker and N-terminal cyclic nucleotide-binding domain in determining the unique structures of the type IIβ protein kinase A: a small angle x-ray and neutron scattering study.

    Science.gov (United States)

    Blumenthal, Donald K; Copps, Jeffrey; Smith-Nguyen, Eric V; Zhang, Ping; Heller, William T; Taylor, Susan S

    2014-10-10

    Protein kinase A (PKA) is ubiquitously expressed and is responsible for regulating many important cellular functions in response to changes in intracellular cAMP concentrations. The PKA holoenzyme is a tetramer (R2:C2), with a regulatory subunit homodimer (R2) that binds and inhibits two catalytic (C) subunits; binding of cAMP to the regulatory subunit homodimer causes activation of the catalytic subunits. Four different R subunit isoforms exist in mammalian cells, and these confer different structural features, subcellular localization, and biochemical properties upon the PKA holoenzymes they form. The holoenzyme containing RIIβ is structurally unique in that the type IIβ holoenzyme is much more compact than the free RIIβ homodimer. We have used small angle x-ray scattering and small angle neutron scattering to study the solution structure and subunit organization of a holoenzyme containing an RIIβ C-terminal deletion mutant (RIIβ(1-280)), which is missing the C-terminal cAMP-binding domain to better understand the structural organization of the type IIβ holoenzyme and the RIIβ domains that contribute to stabilizing the holoenzyme conformation. Our results demonstrate that compaction of the type IIβ holoenzyme does not require the C-terminal cAMP-binding domain but rather involves large structural rearrangements within the linker and N-terminal cyclic nucleotide-binding domain of the RIIβ homodimer. The structural rearrangements are significantly greater than seen previously with RIIα and are likely to be important in mediating short range and long range interdomain and intersubunit interactions that uniquely regulate the activity of the type IIβ isoform of PKA. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  3. Shared and unique components of human population structure and genome-wide signals of positive selection in South Asia.

    Science.gov (United States)

    Metspalu, Mait; Romero, Irene Gallego; Yunusbayev, Bayazit; Chaubey, Gyaneshwer; Mallick, Chandana Basu; Hudjashov, Georgi; Nelis, Mari; Mägi, Reedik; Metspalu, Ene; Remm, Maido; Pitchappan, Ramasamy; Singh, Lalji; Thangaraj, Kumarasamy; Villems, Richard; Kivisild, Toomas

    2011-12-09

    South Asia harbors one of the highest levels genetic diversity in Eurasia, which could be interpreted as a result of its long-term large effective population size and of admixture during its complex demographic history. In contrast to Pakistani populations, populations of Indian origin have been underrepresented in previous genomic scans of positive selection and population structure. Here we report data for more than 600,000 SNP markers genotyped in 142 samples from 30 ethnic groups in India. Combining our results with other available genome-wide data, we show that Indian populations are characterized by two major ancestry components, one of which is spread at comparable frequency and haplotype diversity in populations of South and West Asia and the Caucasus. The second component is more restricted to South Asia and accounts for more than 50% of the ancestry in Indian populations. Haplotype diversity associated with these South Asian ancestry components is significantly higher than that of the components dominating the West Eurasian ancestry palette. Modeling of the observed haplotype diversities suggests that both Indian ancestry components are older than the purported Indo-Aryan invasion 3,500 YBP. Consistent with the results of pairwise genetic distances among world regions, Indians share more ancestry signals with West than with East Eurasians. However, compared to Pakistani populations, a higher proportion of their genes show regionally specific signals of high haplotype homozygosity. Among such candidates of positive selection in India are MSTN and DOK5, both of which have potential implications in lipid metabolism and the etiology of type 2 diabetes. Copyright © 2011 The American Society of Human Genetics. Published by Elsevier Inc. All rights reserved.

  4. Predicting structural properties of fluids by thermodynamic extrapolation

    Science.gov (United States)

    Mahynski, Nathan A.; Jiao, Sally; Hatch, Harold W.; Blanco, Marco A.; Shen, Vincent K.

    2018-05-01

    We describe a methodology for extrapolating the structural properties of multicomponent fluids from one thermodynamic state to another. These properties generally include features of a system that may be computed from an individual configuration such as radial distribution functions, cluster size distributions, or a polymer's radius of gyration. This approach is based on the principle of using fluctuations in a system's extensive thermodynamic variables, such as energy, to construct an appropriate Taylor series expansion for these structural properties in terms of intensive conjugate variables, such as temperature. Thus, one may extrapolate these properties from one state to another when the series is truncated to some finite order. We demonstrate this extrapolation for simple and coarse-grained fluids in both the canonical and grand canonical ensembles, in terms of both temperatures and the chemical potentials of different components. The results show that this method is able to reasonably approximate structural properties of such fluids over a broad range of conditions. Consequently, this methodology may be employed to increase the computational efficiency of molecular simulations used to measure the structural properties of certain fluid systems, especially those used in high-throughput or data-driven investigations.

  5. High temperature structural and magnetic properties of cobalt nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Ait Atmane, Kahina [Univ. Paris Diderot, Sorbonne Paris Cite, ITODYS, UMR CNRS 7086, 15 rue J.-A. de Baief, 75205 Paris Cedex 13 (France); Zighem, Fatih [Laboratoire Leon Brillouin, CEA CNRS UMR 12, IRAMIS, CEA-Saclay, 91191 Gif sur Yvette (France); Soumare, Yaghoub [Univ. Paris Diderot, Sorbonne Paris Cite, ITODYS, UMR CNRS 7086, 15 rue J.-A. de Baief, 75205 Paris Cedex 13 (France); Ibrahim, Mona; Boubekri, Rym [Universite de Toulouse, LPCNO, INSA CNRS UMR 5215, 135 av. de Rangueil, 31077 Toulouse Cedex 4 (France); Maurer, Thomas [Laboratoire Leon Brillouin, CEA CNRS UMR 12, IRAMIS, CEA-Saclay, 91191 Gif sur Yvette (France); Margueritat, Jeremie [Univ. Paris Diderot, Sorbonne Paris Cite, ITODYS, UMR CNRS 7086, 15 rue J.-A. de Baief, 75205 Paris Cedex 13 (France); Piquemal, Jean-Yves, E-mail: jean-yves.piquemal@univ-paris-diderot.fr [Univ. Paris Diderot, Sorbonne Paris Cite, ITODYS, UMR CNRS 7086, 15 rue J.-A. de Baief, 75205 Paris Cedex 13 (France); Ott, Frederic; Chaboussant, Gregory [Laboratoire Leon Brillouin, CEA CNRS UMR 12, IRAMIS, CEA-Saclay, 91191 Gif sur Yvette (France); Schoenstein, Frederic; Jouini, Noureddine [LSPM, CNRS UPR 9001, Universite Paris XIII, Institut Galilee, 99 av. J.-B. Clement, 93430 Villetaneuse (France); Viau, Guillaume, E-mail: gviau@insa-toulouse.fr [Universite de Toulouse, LPCNO, INSA CNRS UMR 5215, 135 av. de Rangueil, 31077 Toulouse Cedex 4 (France)

    2013-01-15

    We present in this paper the structural and magnetic properties of high aspect ratio Co nanoparticles ({approx}10) at high temperatures (up to 623 K) using in-situ X ray diffraction (XRD) and SQUID characterizations. We show that the anisotropic shapes, the structural and texture properties are preserved up to 500 K. The coercivity can be modelled by {mu}{sub 0}H{sub C}=2(K{sub MC}+K{sub shape})/M{sub S} with K{sub MC} the magnetocrystalline anisotropy constant, K{sub shape} the shape anisotropy constant and M{sub S} the saturation magnetization. H{sub C} decreases linearly when the temperature is increased due to the loss of the Co magnetocrystalline anisotropy contribution. At 500 K, 50% of the room temperature coercivity is preserved corresponding to the shape anisotropy contribution only. We show that the coercivity drop is reversible in the range 300-500 K in good agreement with the absence of particle alteration. Above 525 K, the magnetic properties are irreversibly altered either by sintering or by oxidation. - Graphical abstract: We present in this paper the structural and magnetic properties of high aspect ratio Co nanorods ({approx}10) at high temperatures (up to 623 K) using in-situ X-ray diffraction and SQUID characterizations. We show that the anisotropic shapes, the structural and texture properties are preserved up to 500 K. Above 525 K, the magnetic properties are irreversibly altered either by sintering or by oxidation. Highlights: Black-Right-Pointing-Pointer Ferromagnetic Co nanorods are prepared using the polyol process. Black-Right-Pointing-Pointer The structural and texture properties of the Co nanorods are preserved up to 500 K. Black-Right-Pointing-Pointer The magnetic properties of the Co nanorods are irreversibly altered above 525 K.

  6. The structural properties of InGaN alloys and the interdependence on the thermoelectric behavior

    Science.gov (United States)

    Kucukgok, Bahadir; Wu, Xuewang; Wang, Xiaojia; Liu, Zhiqiang; Ferguson, Ian T.; Lu, Na

    2016-02-01

    The III-Nitrides are promising candidate for high efficiency thermoelectric (TE) materials and devices due to their unique features which includes high thermal stability. A systematic study of the room temperature TE properties of metalorganic chemical vapor deposition grown InxGa1-xN were investigated for x = 0.07 to 0.24. This paper investigated the role of indium composition on the TE properties of InGaN alloys in particular the structural properties for homogenous material that did not show significant phase separation. The highest Seebeck and power factor values of 507 μV K-1 and 21.84 × 10-4 Wm-1K-1 were observed, respectively for In0.07Ga0.93N at room temperature. The highest value of figure-of-merit (ZT) was calculated to be 0.072 for In0.20Ga0.80N alloy at room temperature.

  7. Ultrathin magnetic structures II measurement techniques and novel magnetic properties

    CERN Document Server

    Heinrich, Bretislav

    2006-01-01

    The ability to understand and control the unique properties of interfaces has created an entirely new field of magnetism, with profound impact in technology and serving as the basis for a revolution in electronics. Our understanding of the physics of magnetic nanostructures has also advanced significantly. This rapid development has generated a need for a comprehensive treatment that can serve as an introduction to the field for those entering it from diverse fields, but which will also serve as a timely overview for those already working in this area. The four-volume work Ultra-Thin Magnetic

  8. Study of electronic and structural properties of CaS

    International Nuclear Information System (INIS)

    Mirfenderski, M.; Akbarzdeh, H.; Mokhtari, A.

    2003-01-01

    The electronic and structural properties of CaS are calculated using full potential linearized augmented plane wave method within the local density approximation and generalized gradient approximation for the exchange -correlation energy. For both structures, NaCl structure (B1) and CsCl structure (B2), the obtained values for lattice parameters, bulk modulus and its pressure derivative and transition pressure are in reasonable agreement with the experimental values. For electronic properties, the obtained value for band gap is smaller than the experimental value as well as other calculated results based on density functional theory. Engel and Vosko calculated an exchange potential for some atoms within the so-called optimize-potential model and then used the virial relation and constructed a new exchange-correlation functional. We used that functional and obtained reasonable results for band gap. Finally we investigated the possibility for a third phase ( Zinc Blend structure) for this crystal

  9. Tribological properties of nanostripe surface structures-a design concept for improving tribological properties

    International Nuclear Information System (INIS)

    Miyake, K; Nakano, M; Korenaga, A; Mano, H; Ando, Y

    2010-01-01

    The tribological properties of nanostripe surface structures were investigated using a pin-on-plate tribometer in order to propose a design concept for improving the tribological properties. The authors used four kinds of nanostripe structures consisting of different combinations of materials (Fe-Au, C-SiC, Al-Al 2 O 3 and Al-Pt) fabricated by a process they had previously proposed. The frictional properties of the nanostripe structures depended on the materials that constituted the nanostripes. When the sliding direction in friction tests was parallel to the microgrooves, nanostripe structures remained on all surfaces even after friction tests. Based on the friction test results, the authors considered a design concept for nanostripe structures in tribological applications.

  10. Structural stability, electronic structure and mechanical properties of actinide carbides AnC (An = U, Np)

    International Nuclear Information System (INIS)

    Manikandan, M.; Santhosh, M.; Rajeswarapalanichamy, R.

    2016-01-01

    Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of actinide carbides AnC (An=U, Np) for three different crystal structures, namely NaCl, CsCl and ZnS. Among the considered structures, NaCl structure is found to be the most stable structure for these carbides at normal pressure. A pressure induced structural phase transition from NaCl to ZnS is observed. The electronic structure reveals that these carbides are metals. The calculated elastic constants indicate that these carbides are mechanically stable at normal pressure.

  11. Studies of the structure and properties of organic monolayers, multilayers and superlattices

    International Nuclear Information System (INIS)

    Dutta, P.; Ketterson, J.B.

    1990-01-01

    Organic monolayers and multilayers are both scientifically fascinating and technologically promising; they are, however, both complex systems and relatively inaccessible to experimental probes. In this progress report, we describe our x-ray diffraction studies, which have given us substantial new information about the structures and phase transitions in monolayers on the surface of water; our use of these monolayers as a unique probe of the dynamics of wetting and spreading; and our studies of monolayer mechanical properties using a simple but effective technique available to anyone using the Wilhelmy method to measure surface tension. 20 refs., 11 figs

  12. Distributing Correlation Coefficients of Linear Structure-Activity/Property Models

    Directory of Open Access Journals (Sweden)

    Sorana D. BOLBOACA

    2011-12-01

    Full Text Available Quantitative structure-activity/property relationships are mathematical relationships linking chemical structure and activity/property in a quantitative manner. These in silico approaches are frequently used to reduce animal testing and risk-assessment, as well as to increase time- and cost-effectiveness in characterization and identification of active compounds. The aim of our study was to investigate the pattern of correlation coefficients distribution associated to simple linear relationships linking the compounds structure with their activities. A set of the most common ordnance compounds found at naval facilities with a limited data set with a range of toxicities on aquatic ecosystem and a set of seven properties was studied. Statistically significant models were selected and investigated. The probability density function of the correlation coefficients was investigated using a series of possible continuous distribution laws. Almost 48% of the correlation coefficients proved fit Beta distribution, 40% fit Generalized Pareto distribution, and 12% fit Pert distribution.

  13. Effect of monohydric alcohols on structural properties of macromolecular solutions

    International Nuclear Information System (INIS)

    Giordano, R.; Wanderlingh, F.; Cordone, L.; Cupane, A.

    1983-01-01

    A report on the effects of monohydric alcohols on the thixotropic properties of a 1% (by weight) BSA solution is given. The presence of alcohols in the solution medium, even in a very small amount, weakens the structure responsible for the thixotropic properties: this effect increases with increasing alcohol concentration and alkyl group size. Indirect evidence relating the observed effects to the alteration, in the presence of alcohol, of protein-solvent hydrophobic interactions is also presented

  14. Rare Earth Borohydrides—Crystal Structures and Thermal Properties

    Directory of Open Access Journals (Sweden)

    Christoph Frommen

    2017-12-01

    Full Text Available Rare earth (RE borohydrides have received considerable attention during the past ten years as possible hydrogen storage materials due to their relatively high gravimetric hydrogen density. This review illustrates the rich chemistry, structural diversity and thermal properties of borohydrides containing RE elements. In addition, it highlights the decomposition and rehydrogenation properties of composites containing RE-borohydrides, light-weight metal borohydrides such as LiBH4 and additives such as LiH.

  15. Electronic structure and physical properties of 13C carbon composite

    OpenAIRE

    Zhmurikov, Evgenij

    2015-01-01

    This review is devoted to the application of graphite and graphite composites in science and technology. Structure and electrical properties, as so technological aspects of producing of high-strength artificial graphite and dynamics of its destruction are considered. These type of graphite are traditionally used in the nuclear industry. Author was focused on the properties of graphite composites based on carbon isotope 13C. Generally, the review relies on the original results and concentrates...

  16. Structural analysis, electronic properties, and band gaps of a graphene nanoribbon: A new 2D materials

    Science.gov (United States)

    Dass, Devi

    2018-03-01

    Graphene nanoribbon (GNR), a new 2D carbon nanomaterial, has some unique features and special properties that offer a great potential for interconnect, nanoelectronic devices, optoelectronics, and nanophotonics. This paper reports the structural analysis, electronic properties, and band gaps of a GNR considering different chirality combinations obtained using the pz orbital tight binding model. In structural analysis, the analytical expressions for GNRs have been developed and verified using the simulation for the first time. It has been found that the total number of unit cells and carbon atoms within an overall unit cell and molecular structure of a GNR have been changed with the change in their chirality values which are similar to the values calculated using the developed analytical expressions thus validating both the simulation as well as analytical results. Further, the electronic band structures at different chirality values have been shown for the identification of metallic and semiconductor properties of a GNR. It has been concluded that all zigzag edge GNRs are metallic with very small band gaps range whereas all armchair GNRs show both the metallic and semiconductor nature with very small and high band gaps range. Again, the total number of subbands in each electronic band structure is equal to the total number of carbon atoms present in overall unit cell of the corresponding GNR. The semiconductors GNRs can be used as a channel material in field effect transistor suitable for advanced CMOS technology whereas the metallic GNRs could be used for interconnect.

  17. Composition-Structure-Property Relations of Compressed Borosilicate Glasses

    Science.gov (United States)

    Svenson, Mouritz N.; Bechgaard, Tobias K.; Fuglsang, Søren D.; Pedersen, Rune H.; Tjell, Anders Ø.; Østergaard, Martin B.; Youngman, Randall E.; Mauro, John C.; Rzoska, Sylwester J.; Bockowski, Michal; Smedskjaer, Morten M.

    2014-08-01

    Hot isostatic compression is an interesting method for modifying the structure and properties of bulk inorganic glasses. However, the structural and topological origins of the pressure-induced changes in macroscopic properties are not yet well understood. In this study, we report on the pressure and composition dependences of density and micromechanical properties (hardness, crack resistance, and brittleness) of five soda-lime borosilicate glasses with constant modifier content, covering the extremes from Na-Ca borate to Na-Ca silicate end members. Compression experiments are performed at pressures ≤1.0 GPa at the glass transition temperature in order to allow processing of large samples with relevance for industrial applications. In line with previous reports, we find an increasing fraction of tetrahedral boron, density, and hardness but a decreasing crack resistance and brittleness upon isostatic compression. Interestingly, a strong linear correlation between plastic (irreversible) compressibility and initial trigonal boron content is demonstrated, as the trigonal boron units are the ones most disposed for structural and topological rearrangements upon network compaction. A linear correlation is also found between plastic compressibility and the relative change in hardness with pressure, which could indicate that the overall network densification is responsible for the increase in hardness. Finally, we find that the micromechanical properties exhibit significantly different composition dependences before and after pressurization. The findings have important implications for tailoring microscopic and macroscopic structures of glassy materials and thus their properties through the hot isostatic compression method.

  18. Structural Dependence of Physical Properties in Sodium Boroaluminosilicate Glasses

    DEFF Research Database (Denmark)

    Zheng, Qiuju; Potuzak, Marcel; Mauro, John C.

    Boroaluminosilicate glasses have found applications in many fields. The extent and nature of the mixing of network formers like SiO2, B2O3, and Al2O3 play an important role in controlling the macroscopic properties. To understand the structure-property correlations in these glasses, we study...... a series of sodium boroaluminosilicate glasses with various [Al2O3]/[SiO2] ratios to access different regimes of sodium behavior. We determine dynamic properties, elastic moduli, and hardness of these glasses. The results reveal an existence of local minimum for density, fragility index, Young’s and shear...

  19. Correlation between fuel structure and mechanical properties of UO2

    International Nuclear Information System (INIS)

    Blank, H.; Mandler, R.; Matzke, H.; Routbort, J.; Werner, P.

    1982-10-01

    The relation between the structure of a UO 2 fuel and its mechanical properties are discussed and illustrated for particular types of UO 2 by measurements of fracture surface energy, hardness, fracture stress and of compressive deformation at 1870 and 1970 0 K. This gives the background for treating the question whether it is possible to find a simple experimental method for correlating the mechanical properties of UO 2 before irradiation with those after various irradiation histories. Hardness measurements might be such a method if combined with a detailed structural analysis and sufficient knowledge about the irradiation history

  20. Structure/property relationships in non-linear optical materials

    Energy Technology Data Exchange (ETDEWEB)

    Cole, J M [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France); [Durham Univ. (United Kingdom); Howard, J A.K. [Durham Univ. (United Kingdom); McIntyre, G J [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1997-04-01

    The application of neutrons to the study of structure/property relationships in organic non-linear optical materials (NLOs) is described. In particular, charge-transfer effects and intermolecular interactions are investigated. Charge-transfer effects are studied by charge-density analysis and an example of one such investigation is given. The study of intermolecular interactions concentrates on the effects of hydrogen-bonding and an example is given of two structurally similar molecules with very disparate NLO properties, as a result of different types of hydrogen-bonding. (author). 3 refs.

  1. Structure and properties of Titanium for dental implants

    Directory of Open Access Journals (Sweden)

    M. Greger

    2009-10-01

    Full Text Available This paper describes manufacture of nano-structural titanium, its structure and properties. Nano-titanium has higher specific strength properties than ordinary (coarse-grained titanium. Nano-titanium was produced by the equal-channel angular pressing (ETAP process. The research it self was focused on physical base of strengthening and softening processes and developments occurring at the grain boundaries during the ECAP process at half-hot temperature. Strength of nano-titanium varies around 960 MPa, grain size around 300 nm.

  2. Low Velocity Impact Properties of Aluminum Foam Sandwich Structural Composite

    Directory of Open Access Journals (Sweden)

    ZHAO Jin-hua

    2018-01-01

    Full Text Available Sandwich structural composites were prepared by aluminum foam as core materials with basalt fiber(BF and ultra-high molecular weight polyethylene(UHMWPE fiber composite as faceplate. The effect of factors of different fiber type faceplates, fabric layer design and the thickness of the corematerials on the impact properties and damage mode of aluminum foam sandwich structure was studied. The impact properties were also analyzed to compare with aluminum honeycomb sandwich structure. The results show that BF/aluminum foam sandwich structural composites has bigger impact damage load than UHMWPE/aluminum foam sandwich structure, but less impact displacement and energy absorption. The inter-layer hybrid fabric design of BF and UHMWPE has higher impact load and energy absorption than the overlay hybrid fabric design faceplate sandwich structure. With the increase of the thickness of aluminum foam,the impact load of the sandwich structure decreases, but the energy absorption increases. Aluminum foam sandwich structure has higher impact load than the aluminum honeycomb sandwich structure, but smaller damage energy absorption; the damage mode of aluminum foam core material is mainly the fracture at the impact area, while aluminum honeycomb core has obvious overall compression failure.

  3. Molecular structure based property modeling: Development/ improvement of property models through a systematic property-data-model analysis

    DEFF Research Database (Denmark)

    Hukkerikar, Amol Shivajirao; Sarup, Bent; Sin, Gürkan

    2013-01-01

    models. To make the property-data-model analysis fast and efficient, an approach based on the “molecular structure similarity criteria” to identify molecules (mono-functional, bi-functional, etc.) containing specified set of structural parameters (that is, groups) is employed. The method has been applied...

  4. Mechanical properties and impact behavior of a microcellular structural foam

    Directory of Open Access Journals (Sweden)

    M. Avalle

    Full Text Available Structural foams are a relatively new class of materials with peculiar characteristics that make them very attractive in some energy absorption applications. They are currently used for packaging to protect goods from damage during transportation in the case of accidental impacts. Structural foams, in fact, have sufficient mechanical strength even with reduced weight: the balance between the two antagonist requirements demonstrates that these materials are profitable. Structural foams are generally made of microcellular materials, obtained by polymers where voids at the microscopic level are created. Although the processing technologies and some of the material properties, including mechanical, are well known, very little is established for what concerns dynamic impact properties, for the design of energy absorbing components made of microcellular foams. The paper reports a number of experimental results, in different loading conditions and loading speed, which will be a basis for the structural modeling.

  5. Optical and structural properties of colloidal zirconia nanoparticles prepared by arc discharge in liquid

    Science.gov (United States)

    Peymani forooshani, Reza; Poursalehi, Reza; Yourdkhani, Amin

    2018-01-01

    Zirconia is one of the important ceramic materials with unique properties such as high melting point, high ionic conductivity, high mechanical properties and low thermal conductivity. Therefore, zirconia is one of the useful materials in refractories, thermal barriers, cutting tools, oxygen sensors electrolytes, catalysis, catalyst supports and solid oxide fuel cells. Recently, direct current (DC) arc discharge is extensively employed to synthesis of metal oxide nanostructures in liquid environments. The aim of this work is the synthesis of colloidal zirconia nanoparticles by DC arc discharge method in water as a medium. Arc discharge was ignited between two pure zirconium electrodes in water. Optical and structural properties of prepared colloidal nanoparticles were investigated. Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD) and UV-visible spectroscopy, were employed for characterization of particle size, morphology, crystal structure and optical properties, respectively. SEM images demonstrate that the nanoparticles are spherical in shape with an average size lower than 38 nm. The XRD patterns of the nanoparticles were consistent with tetragonal and monoclinic zirconia crystal structures. The optical transmission spectra of the colloidal solution show optical characteristic of zirconia nanoparticles as a wide band gap semiconductor with no absorption peak in visible wavelength with the considerable amount of oxygen deficiency. Oxidation of colloidal nanoparticles in water could be explained via reaction with either dissociated oxygen from water in hot plasma region or with dissolved oxygen in water. The results provide a simple and flexible method for preparation of zirconia nanoparticles with a capability of mass production without environmental footprints.

  6. Fabrication and properties of submicrometer structures of magnetic materials

    International Nuclear Information System (INIS)

    Martin, J.I.; Velez, M.; Nogues, J.; Schuller, I.K.

    1998-01-01

    The method of electron beam lithography is described. This technique allows to fabricate well defined submicrometer structures of magnetic materials, that are suitable to show and study interesting physical properties by transport measurements either in Superconductivity or in Magnetism. In particular, using these structures, we have analyzed pinning effects of the vortex lattice in superconductors and magnetization reversal processes in magnetic materials. (Author) 15 refs

  7. Band Gap Properties of Magnetoelectroelastic Grid Structures with Initial Stress

    International Nuclear Information System (INIS)

    Wang Yi-Ze; Li Feng-Ming

    2012-01-01

    The propagation of elastic waves in magnetoelectroelastic grid structures is studied. Band gap properties are presented and the effects of the magnetoelectroelastic coupling and initial stress are considered. Numerical calculations are performed using the plane-wave expansion method. The results show that the band gap width can be tuned by the initial stress. It is hoped that our results will be helpful for designing acoustic filters with magnetoelectroelastic materials and grid structures

  8. Path Integration Applied to Structural Systems with Uncertain Properties

    DEFF Research Database (Denmark)

    Nielsen, Søren R.K.; Köylüoglu, H. Ugur

    Path integration (cell-to-cell mapping) method is applied to evaluate the joint probability density function (jpdf) of the response of the structural systems, with uncertain properties, subject to white noise excitation. A general methodology to deal with uncertainties is outlined and applied...... to the friction controlled slip of a structure on a foundation where the friction coefficient is modelled as a random variable. Exact results derived using the total probability theorem are compared to the ones obtained via path integration....

  9. Enhanced photovoltaic properties of perovskite solar cells by TiO2 homogeneous hybrid structure.

    Science.gov (United States)

    Su, Pengyu; Fu, Wuyou; Yao, Huizhen; Liu, Li; Ding, Dong; Feng, Fei; Feng, Shuang; Xue, Yebin; Liu, Xizhe; Yang, Haibin

    2017-10-01

    In this paper, we fabricated a TiO 2 homogeneous hybrid structure for application in perovskite solar cells (PSCs) under ambient conditions. Under the standard air mass 1.5 global (AM 1.5G) illumination, PSCs based on homogeneous hybrid structure present a maximum power conversion efficiency of 5.39% which is higher than that of pure TiO 2 nanosheets. The enhanced properties can be explained by the better contact of TiO 2 nanosheets/nanoparticles with CH 3 NH 3 PbI 3 and fewer pinholes in electron transport materials. The advent of such unique structure opens up new avenues for the future development of high-efficiency photovoltaic cells.

  10. Single crystal structure analyses of scheelite-powellite CaW1-xMoxO4 solidsolutions and unique occurrence in Jisyakuyama skarn deposits

    Science.gov (United States)

    Yamashita, K.; Yoshiasa, A.; Miyazaki, H.; Tokuda, M.; Tobase, T.; Isobe, H.; Nishiyama, T.; Sugiyama, K.; Miyawaki, R.

    2017-12-01

    Jisyakuyama skarn deposit, Fukuchi, Fukuoka, Japan, shows a simple occurrenceformed by penetration of hot water into limestone cracks. A unique occurrence of scheelite-powellite CaW1-xMoxO4 minerals is observed in the skarn deposit. Many syntheticexperiments for scheelite-powellite solid solutions have been reported as research onfluorescent materials. In this system it is known that a complete continuous solid solution isformed even at room temperature. In this study, we have carried out the chemical analyses,crystal structural refinements and detail description of occurrence on scheelite-powelliteminerals. We have also attempted synthesis of single crystal of solid solution in a widecomposition range. The chemical compositions were determined by JEOL scanningelectron microscope and EDS, INCA system. We have performed the crystal structurerefinements of the scheelite-powellite CaW1-xMoxO4 solid solutions (x=0.0-1.0) byRIGAKU single-crystal structure analysis system RAPID. The R and S values are around0.0s and 1.03. As the result of structural refinements of natural products and many solidsolutions, we confirm that most large natural single crystals have compositions at bothendmembers, and large solid solution crystals are rare. The lattice constants, interatomicdistances and other crystallographic parameters for the solid solution change uniquely withcomposition and it was confirmed as a continuous solid solution. Single crystals of scheeliteendmember + powellite endmember + solid solution with various compositions form anaggregate in the deposit (Figure 1). Crystal shapes of powellite and scheelite arehypidiomorphic and allotriomorphic, respectively. Many solid solution crystals areaccompanied by scheelite endmember and a compositional gap is observed betweenpowellite and solid-solution crystals. The presence of several penetration solutions withsignificantly different W and Mo contents may be assumed. This research can be expectedto lead to giving restrictive

  11. Structure and Magnetic Properties of Rare Earth Doped Transparent Alumina

    Science.gov (United States)

    Limmer, Krista; Neupane, Mahesh; Chantawansri, Tanya

    Recent experimental studies of rare earth (RE) doped alumina suggest that the RE induced novel phase-dependent structural and magnetic properties. Motivated by these efforts, the effects of RE doping of alpha and theta alumina on the local structure, magnetic properties, and phase stability have been examined in this first principles study. Although a direct correlation between the magnetic field dependent materials properties observed experimentally and calculated from first principles is not feasible because of the applied field and the scale, the internal magnetic properties and other properties of the doped materials are evaluated. The RE dopants are shown to increase the substitutional site volume as well as increasingly distort the site structure as a function of ionic radii. Doping both the alpha (stable) and theta (metastable) phases enhanced the relative stability of the theta phase. The energetic doping cost and internal magnetic moment were shown to be a function of the electronic configuration of the RE-dopant, with magnetic moment directly proportional to the number of unpaired electrons and doping cost being inversely related.

  12. Crystal structure and optical properties of silver nanorings

    Science.gov (United States)

    Zhou, Li; Fu, Xiao-Feng; Yu, Liao; Zhang, Xian; Yu, Xue-Feng; Hao, Zhong-Hua

    2009-04-01

    We report the polyol synthesis and crystal structure characterization of silver nanorings, which have perfect circular shape, smooth surface, and elliptical wire cross-section. The characterization results show that the silver nanorings have well-defined crystal of singly twinned along the whole ring. The spatial distribution of the scattering of a silver nanoring with slanted incidence reveals the unique focus effect of the nanoring, and the focus scattering varies with the incident wavelength. The silver nanorings with perfect geometry and well-defined crystal have potential applications in nanoscaled photonics, plasmonic devices, and optical manipulation.

  13. Crystal structure, characterization and magnetic properties of a 1D ...

    Indian Academy of Sciences (India)

    Crystal structure, characterization and magnetic properties of a 1D copper(II) polymer incorporating a Schiff base with carboxylate side arm. SHYAMAPADA SHIT MADHUSUDAN NANDY CORRADO RIZZOLI CÉDRIC DESPLANCHES SAMIRAN MITRA. Regular Article Volume 128 Issue 6 June 2016 pp 913-920 ...

  14. Structure And Properties Of PVD Coatings Deposited On Cermets

    Directory of Open Access Journals (Sweden)

    Żukowska L.

    2015-06-01

    Full Text Available The main aim of the research is the investigation of the structure and properties of single-layer and gradient coatings of the type (Ti,AlN and Ti(C,N deposited by physical vapour deposition technology (PVD on the cermets substrate.

  15. Ab-initio theoretical predictions of structural properties of semiconductors

    International Nuclear Information System (INIS)

    Rodriguez, C.O.; Peltzer y Blanca, E.L.; Cappannini, O.M.

    1983-01-01

    Calculations of the total energies of Si, GaP and C together with related structural properties are presented. The results show good agreement with experimental values (differences of less than 6%). They also agree with other recent theoretical results. Calculations for Si and GaP have already been reported and are given here as a reference. (L.C.) [pt

  16. Ab-initio theoretical predictions of structure properties of semiconductors

    International Nuclear Information System (INIS)

    Rodriguez, C.O.; Peltzer y Blanca, E.L.; Cappannini, O.M.

    1983-01-01

    In this paper, calculations of the total energies and related structural properties of Si, GaP and C are presented showing good agreement with experimental values. The total energy is calculated within the local-density functional formalism using first principles non-local pseudopotentials. (A.C.A.S.) [pt

  17. Structural, elastic, electronic and optical properties of bi-alkali ...

    Indian Academy of Sciences (India)

    The structural parameters, elastic constants, electronic and optical properties of the bi-alkali ... and efficient method for the calculation of the ground-state ... Figure 2. Optimization curve (E–V) of the bi-alkali antimonides: (a) Na2KSb, (b) Na2RbSb, (c) Na2CsSb, .... ical shape of the charge distributions in the contour plots.

  18. Piezoelectric and mechanical properties of structured PZT-epoxy composites

    NARCIS (Netherlands)

    James, N.K.; Ende, D.A. van den; Lafont, U.; Zwaag, S. van der; Groen, W.A.

    2013-01-01

    Structured lead zirconium titanate (PZT)-epoxy composites are prepared by dielectrophoresis. The piezoelectric and dielectric properties of the composites as a function of PZT volume fraction are investigated and compared with the corresponding unstructured composites. The effect of poling voltage

  19. Structural, morphological and magnetic properties of La1 ...

    Indian Academy of Sciences (India)

    2016-08-26

    Aug 26, 2016 ... Home; Journals; Bulletin of Materials Science; Volume 38; Issue 7. Structural, morphological and magnetic properties of La1−NaMnO3 ( ≤ ) nanoparticles produced by the solution combustion method. C O Ehi-Eromosele B I Ita K O Ajanaku A Edobor-Osoh O Aladesuyi S A Adalikwu F E Ehi- ...

  20. Major dimensions in food-web structure properties

    NARCIS (Netherlands)

    Vermaat, J.E.; Dunne, J. A.; Gilbert, A.J.

    2009-01-01

    The covariance among a range of 20 network structural properties of food webs plus net primary productivity was assessed for 14 published food webs using principal components analysis. Three primary components explained 84% of the variability in the data sets, suggesting substantial covariance among

  1. Size Induced Structural and Magnetic Properties of Nanostructured ...

    African Journals Online (AJOL)

    Their structural and magnetic properties were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM) and vibrating sample magnetometer (VSM) measurements. The average crystallite size of CoFe2O4was observed to increase from 23 to 65 nm as the annealing temperature was increased from ...

  2. Structural, energetic and electronic properties of intercalated boron ...

    Indian Academy of Sciences (India)

    2National Institute for R&D of Isotopic and Molecular Technologies, Cluj-Napoca 400 293, Romania. MS received 8 November 2010; revised 28 March 2012. Abstract. The effects of chirality and the intercalation of transitional metal atoms inside single walled BN nano- tubes on structural, energetic and electronic properties ...

  3. Synthesis, structure, thermal, transport and magnetic properties of VN ceramics

    Czech Academy of Sciences Publication Activity Database

    Huber, Š.; Jankovský, O.; Sedmidubský, D.; Luxa, J.; Klimová, K.; Hejtmánek, Jiří; Sofer, Z.

    2016-01-01

    Roč. 42, č. 16 (2016), s. 18779-18784 ISSN 0272-8842 R&D Projects: GA ČR GA13-20507S Institutional support: RVO:68378271 Keywords : vanadium mononitride * phase transition * electronic structure * heat capacity * transport properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.986, year: 2016

  4. Piezoelectric and mechanical properties of structured PZT–epoxy composites

    NARCIS (Netherlands)

    Kunnamkuzhakkal James, N.; Van den Ende, D.; Lafont, U.; Van der Zwaag, S.; Groen, W.A.

    2013-01-01

    Structured lead zirconium titanate (PZT)–epoxy composites are prepared by dielectrophoresis. The piezoelectric and dielectric properties of the composites as a function of PZT volume fraction are investigated and compared with the corresponding unstructured composites. The effect of poling voltage

  5. Synthesis, structural and optical properties of nanoparticles (Al, V ...

    Indian Academy of Sciences (India)

    The synthesis by the sol–gel method, structural and optical properties of ZnO, Zn0.99Al0.01O (AlZ),. Zn0.9V0.1O (VZ) ... drops of the resulting suspension containing the synthesized .... ZnO films on silicon substrate, they thought that this emis-.

  6. Electronic structure and optical properties of thorium monopnictides

    Indian Academy of Sciences (India)

    Unknown

    Indian Academy of Sciences. 165. Electronic structure and optical properties of thorium monopnictides. S KUMAR* and S AULUCK†. Physics Department, Institute of Engineering and Technology, M.J.P. Rohilkhand University, Bareilly 243 006,. India. †Department of Physics, Indian Institute of Technology, Roorkee 247 667, ...

  7. Structure and properties of compositions based on petroleum sulfonic acids

    Energy Technology Data Exchange (ETDEWEB)

    Tutorskii, I.A.; Sultanova, A.S.; Belkina, E.V.; Fomin, A.G. [Lomonosov Academy of Fine Chemical Technology, Moscow (Russian Federation)

    1995-03-01

    Colloidal characteristics of compositions based on petroleum sulfonic acids were studied. Neutralized heavy oil residue exhibits surface-active properties and contains an ultradisperse filler. Analysis of the compositions by size-exclusion-chromatography shows deep structural changes in the heavy acid residue upon neutralization with calcium carbonate.

  8. Structural properties of reflected Lévy processes

    DEFF Research Database (Denmark)

    Andersen, Lars Nørvang; Mandjes, Michel

    This paper considers a number of structural properties of reflected Lévy processes, where both one-sided reflection (at 0) and two-sided reflection (at both 0 and K > 0) are examined. With Vt being the position of the reflected process at time t, we focus on the analysis of ζ(t) := EVt and ξ(t) :...

  9. Intrinsic structure and friction properties of graphene and graphene

    Indian Academy of Sciences (India)

    In this paper, atomic structure of single-layered graphene oxide (GO) and chemically reduced graphene oxide (CRGO) nanosheets was investigated using atomic force microscopy and scanning tunnelingmicroscopy (AFM and STM). Furthermore, friction properties of the graphene and GO nanosheets were studied by ...

  10. Anomalous structural changes and elastic properties of bismuth oxide superconductors

    International Nuclear Information System (INIS)

    He, Y.S.; Xiang, J.; Chang, F.G.; Zhang, J.C.; He, A.S.; Wang, H.; Gu, B.L.

    1989-01-01

    Ultrasonic measurement revealed that there are anomalous structural changes near 200 K in single 2212 or 2223 phase samples of Bi(Pb)-Sr-Ca-Cu-O. Detailed study showed such anomalous changes are isothermal-like processes and have a characteristics of second order phase transition, accompanying with increases in lattice constants. The elastic properties of these ceramics and related systems are discussed

  11. Effect of heat treatment on structure and magnetic properties

    Indian Academy of Sciences (India)

    Fe46Co35Ni19/CNTs nanocomposites have been prepared by an easy two-step route including adsorption and heat treatment processes. We investigated the effect of heat treatment conditions on structure, morphology, nanoparticle sizes and magnetic properties of the Fe46Co35Ni19 alloy nanoparticles attached on the ...

  12. Structural, morphological and magnetic properties of La1 ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 38; Issue 7. Structural, morphological and magnetic properties of La1−NaMnO3 ( ≤ ) nanoparticles produced by the solution combustion method. C O Ehi-Eromosele B I Ita K O Ajanaku A Edobor-Osoh O Aladesuyi S A Adalikwu F E Ehi-Eromosele. Volume 38 ...

  13. Floor response spectra of buildings with uncertain structural properties

    International Nuclear Information System (INIS)

    Chen, P.C.

    1975-01-01

    All Category I equipment, such as reactors, vessels, and major piping systems of nuclear power plants, is required to withstand earthquake loadings in order to minimize risk of seismic damage. The equipment is designed by using response spectra of the floor on which the equipment is mounted. The floor response spectra are constructed usually from the floor response time histories which are obtained through a deterministic dynamic analysis. This analysis assumes that all structural parameters, such as mass, stiffness, and damping have been calculated precisely, and that the earthquakes are known. However, structural parameters are usually difficult to determine precisely if the structures are massive and/or irregular, such as nuclear containments and its internal structures with foundation soil incorporated into the analysis. Faced with these uncertainties, it has been the practice to broaden the floor response spectra peaks by +-10 percent of the peak frequencies on the basis of conservatism. This approach is based on engineering judgement and does not have an analytical basis to provide a sufficient level of confidence in using these spectra for equipment design. To insure reliable design, it is necessary to know structural response variations due to variations in structural properties. This consideration leads to the treatment of structural properties as random variables and the use of probabilistic methods to predict structural response more accurately. New results on floor response spectra of buildings with uncertain structural properties obtained by determining the probabilistic dynamic response from the deterministic dynamic response and its standard deviation are presented. The resulting probabilistic floor response spectra are compared with those obtained deterministically, and are shown to provide a more reliable method for determining seismic forces

  14. Properties of structural materials in liquid metal environment. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Borgstedt, H U [ed.

    1991-12-15

    The International Working Group on Fast Reactors (IWGFR) Specialists Meeting on Properties of Structural Materials in Liquid Metal Environment was held during June 18 to June 20, 1991, at the Nuclear Research Centre (Kernforschungszentrum) in Karlsruhe, Germany. The Specialists Meeting was divided into five technical sessions which addressed topics as follows: Creep-Rupture Behaviour of Structural Materials in Liquid Metal Environment; Behaviour of Materials in Liquid Metal Environments under Off-Normal Conditions;Fatigue and Creep-Fatigue of Structural Materials in Liquid Metal Environment; Crack Propagation in Liquid Sodium; and Conclusions and recommendations. Individual papers have been cataloged separately.

  15. One-Electron Theory of Metals. Cohesive and Structural Properties

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed...... by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth...

  16. Band structures and localization properties of aperiodic layered phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhizhong, E-mail: zzyan@bit.edu.cn [Department of Applied Mathematics, Beijing Institute of Technology, Beijing 100081 (China); Zhang Chuanzeng [Department of Civil Engineering, University of Siegen, D-57078 Siegen (Germany)

    2012-03-15

    The band structures and localization properties of in-plane elastic waves with coupling of longitudinal and transverse modes oblique propagating in aperiodic phononic crystals based on Thue-Morse and Rudin-Shapiro sequences are studied. Using transfer matrix method, the concept of the localization factor is introduced and the correctness is testified through the Rytov dispersion relation. For comparison, the perfect periodic structure and the quasi-periodic Fibonacci system are also considered. In addition, the influences of the random disorder, local resonance, translational and/or mirror symmetries on the band structures of the aperiodic phononic crystals are analyzed in this paper.

  17. Conference Proceedings: Structuring oil and gas property transactions

    International Nuclear Information System (INIS)

    1999-01-01

    The 12 presentations at this conference dealt with issues concerning the legal aspects of oil and gas property transaction agreements. Several issues regarding sales and purchase negotiations of oil and gas property are reviewed and some of the basic principles of contract law are explained. Advantages, disadvantages and opportunities of structuring oil and gas property acquisitions, as well as their tax consequences are also identified. The issue of risk assessment regarding environmental consequences and how public concerns regarding the state of the environment has had an impact on oil and gas transactions, is addressed. Interest in this topic stems from the fact that improved enforcement of existing laws regarding the environment can potentially make purchasers liable for significant costs associated with remediation or clean-up of contaminated properties. refs., tabs., figs

  18. Relation between rheological and structural properties of suspensions

    Energy Technology Data Exchange (ETDEWEB)

    Barcal, M; Sebor, G; Volsicky, Z

    1982-01-01

    The paper discusses results of investigations into separation processes for coal and kaolin suspensions. Effects of potassium chlorides and methanol additives on electrostatic potential of solid particles and on sedimentation rate are analyzed. Investigation results are shown in 5 diagrams. The relation between rheological and structural properties of coal and clay suspensions is investigated. Investigations show that the non-Newtonian behavior of suspensions cannot be attributed exclusively to the electrostatic and mechanical action of the solid phase particles. It is also caused by structure of the liquid phase, particularly on the surface of the solid particles, which depends mostly on hydrogen bonds. The internal structure of the liquid phase influences differential viscosity much more than the electrical surface properties of the solid phase. Bonds between the molecules of water and methanol are much stronger than bonds between water molecules alone. (9 refs.)

  19. Mechanical properties and structural of metal-ceramic tungsten heterogeneity

    International Nuclear Information System (INIS)

    Gnuchev, V.S.; Zasimchuk, E.Eh.; Kas'yan, K.N.; Kravchenko, V.S.; Rabinovich, E.M.; Kharchenko, V.K.; Sheina, I.V.

    1978-01-01

    The influence of the grain size and the structure nonuniformity of cermet tungsten has been studied on its stre--ngth properties at temperatures of 500, 1000, and 1500 deg C. It has been shown that at a high temperature, the samples having a coarse-grained structure (about 50/m) preserve a high level of strength with an elevated plasticity. In the samples having the fine-grained (about 16/m) and the coarse-grained (about 114/m) structure, an abrupt decrease in the plasticity is observed along with a decrease in the strength. By investigating the influence of the annealing conditions on the structure of tungsten, the temperature range of the secondary recrystallization (about 2000 to 2200 deg C) has been established. The rolling temperature of sintered tungsten does not exceed 1700 deg C; thus a supposition is made that the structural nonuniformity of the material is attributable to the process of primary recrystallization and the amount of admixtures present

  20. Unique structural properties of DNA interstrand cross-links formed by a new antitumor dinuclear Pt(II) complex

    Czech Academy of Sciences Publication Activity Database

    Hrabina, O.; Kašpárková, J.; Suchánková, Tereza; Novohradský, Vojtěch; Guo, Z.; Brabec, Viktor

    2017-01-01

    Roč. 9, č. 5 (2017), s. 494-500 ISSN 1756-5901 Institutional support: RVO:68081707 Keywords : cisplatin-modified dna * nucleotide excision-repair * hmg domain proteins Subject RIV: CE - Biochemistry OBOR OECD: Biochemistry and molecular biology Impact factor: 3.975, year: 2016

  1. Uniquely Strongly Clean Group Rings

    Institute of Scientific and Technical Information of China (English)

    WANG XIU-LAN

    2012-01-01

    A ring R is called clean if every element is the sum of an idempotent and a unit,and R is called uniquely strongly clean (USC for short) if every element is uniquely the sum of an idempotent and a unit that commute.In this article,some conditions on a ring R and a group G such that RG is clean are given.It is also shown that if G is a locally finite group,then the group ring RG is USC if and only if R is USC,and G is a 2-group.The left uniquely exchange group ring,as a middle ring of the uniquely clean ring and the USC ring,does not possess this property,and so does the uniquely exchange group ring.

  2. Structural properties of the Chinese air transportation multilayer network

    International Nuclear Information System (INIS)

    Hong, Chen; Zhang, Jun; Cao, Xian-Bin; Du, Wen-Bo

    2016-01-01

    Highlights: • We investigate the structural properties of the Chinese air transportation multilayer network (ATMN). • We compare two main types of layers corresponding to major and low-cost airlines. • It is found that small-world property and rich-club effect of the Chinese ATMN are mainly caused by major airlines. - Abstract: Recently multilayer networks are attracting great attention because the properties of many real-world systems cannot be well understood without considering their different layers. In this paper, we investigate the structural properties of the Chinese air transportation multilayer network (ATMN) by progressively merging layers together, where each commercial airline (company) defines a layer. The results show that the high clustering coefficient, short characteristic path length and large collection of reachable destinations of the Chinese ATMN can only emerge when several layers are merged together. Moreover, we compare two main types of layers corresponding to major and low-cost airlines. It is found that the small-world property and the rich-club effect of the Chinese ATMN are mainly caused by those layers corresponding to major airlines. Our work will highlight a better understanding of the Chinese air transportation network.

  3. How Are Property Investment Returns Determined? : Estimating the Micro-Structure of Asset Prices, Property Income, and Discount Rates

    OpenAIRE

    Shimizu, Chihiro

    2014-01-01

    How exactly should one estimate property investment returns? Investors in property aim to maximize capital gains from price increases and income generated by the property. How are the returns on investment in property determined based on its characteristics, and what kind of market characteristics does it have? Focusing on the Tokyo commercial property market and residential property market, the purpose of this paper was to break down and measure the micro-structure of property investment ret...

  4. Relaxation Mechanisms, Structure and Properties of Semi-Coherent Interfaces

    Directory of Open Access Journals (Sweden)

    Shuai Shao

    2015-10-01

    Full Text Available In this work, using the Cu–Ni (111 semi-coherent interface as a model system, we combine atomistic simulations and defect theory to reveal the relaxation mechanisms, structure, and properties of semi-coherent interfaces. By calculating the generalized stacking fault energy (GSFE profile of the interface, two stable structures and a high-energy structure are located. During the relaxation, the regions that possess the stable structures expand and develop into coherent regions; the regions with high-energy structure shrink into the intersection of misfit dislocations (nodes. This process reduces the interface excess potential energy but increases the core energy of the misfit dislocations and nodes. The core width is dependent on the GSFE of the interface. The high-energy structure relaxes by relative rotation and dilatation between the crystals. The relative rotation is responsible for the spiral pattern at nodes. The relative dilatation is responsible for the creation of free volume at nodes, which facilitates the nodes’ structural transformation. Several node structures have been observed and analyzed. The various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies.

  5. Lipid A structural modifications in extreme conditions and identification of unique modifying enzymes to define the Toll-like receptor 4 structure-activity relationship.

    Science.gov (United States)

    Scott, Alison J; Oyler, Benjamin L; Goodlett, David R; Ernst, Robert K

    2017-11-01

    Strategies utilizing Toll-like receptor 4 (TLR4) agonists for treatment of cancer, infectious diseases, and other targets report promising results. Potent TLR4 antagonists are also gaining attention as therapeutic leads. Though some principles for TLR4 modulation by lipid A have been described, a thorough understanding of the structure-activity relationship (SAR) is lacking. Only through a complete definition of lipid A-TLR4 SAR is it possible to predict TLR4 signaling effects of discrete lipid A structures, rendering them more pharmacologically relevant. A limited 'toolbox' of lipid A-modifying enzymes has been defined and is largely composed of enzymes from mesophile human and zoonotic pathogens. Expansion of this 'toolbox' will result from extending the search into lipid A biosynthesis and modification by bacteria living at the extremes. Here, we review the fundamentals of lipid A structure, advances in lipid A uses in TLR4 modulation, and the search for novel lipid A-modifying systems in extremophile bacteria. This article is part of a Special Issue entitled: Bacterial Lipids edited by Russell E. Bishop. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Structural and optical properties of Si-doped Ag clusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2014-03-06

    The structural and optical properties of AgN and Ag N-1Si1 (neutral, cationic, and anionic) clusters (N = 5 to 12) are systematically investigated using the density functional based tight binding method and time-dependent density functional theory, providing insight into recent experiments. The gap between the highest occupied and lowest unoccupied molecular orbitals and therefore the optical spectrum vary significantly under Si doping, which enables flexible tuning of the chemical and optical properties of Ag clusters. © 2014 American Chemical Society.

  7. The structure and properties of fluoroplastic modified with titanium nanoparticles

    Science.gov (United States)

    Baronin, G. S.; Buznik, V. M.; Dmitriev, O. S.; Zavrazhina, C. V.; Mishchenko, S. V.; Zavrazhin, D. O.; Khudyakov, V. V.

    2017-12-01

    The results of studying the structure and properties of a mixture of polytetrafluoroethylene (PTFE) and fillers, which are composites of ultrafine polytetrafluoroethylene and titanium (TiFP) nanoparticles, are presented. These composites are obtained with pyrolytic redistribution of a powdered PTFE - (NH4)2TiF6 mixture. It has been found that the composite properties depend on the type and concentration of the inorganic filler and the composite production technology. The created composites exceed the original PTFE in a number of characteristics (deflection temperature, thermal conductivity and durability).

  8. Structural and optical properties of Si-doped Ag clusters

    KAUST Repository

    Mokkath, Junais Habeeb; Schwingenschlö gl, Udo

    2014-01-01

    The structural and optical properties of AgN and Ag N-1Si1 (neutral, cationic, and anionic) clusters (N = 5 to 12) are systematically investigated using the density functional based tight binding method and time-dependent density functional theory, providing insight into recent experiments. The gap between the highest occupied and lowest unoccupied molecular orbitals and therefore the optical spectrum vary significantly under Si doping, which enables flexible tuning of the chemical and optical properties of Ag clusters. © 2014 American Chemical Society.

  9. A short review of nanographenes: structures, properties and applications

    Science.gov (United States)

    Dai, Yafei; Liu, Yi; Ding, Kai; Yang, Jinlong

    2018-04-01

    Graphene has attracted great interest in the science and technology since it was exfoliated mechanically from the graphite in 2004. Although graphene has various potential applications, its practical applications are constrained enormously by its serious drawbacks, such as zero band gap, tendency of aggregation between layers and hydrophobicity, which mainly caused by the infinite planar hexagonal structure of graphene. Considering that the structural defects in the honeycomb lattice and the edges of graphene break the infinite structure and thus change the properties, which may improve the application efficiency, nanographene (NG) is proposed and attracts extensive attention. In this work, we review the structures of multifarious well-defined NGs synthesised in recent experiments. The effects of the shape, size, edges and substituents of NGs to the properties are discussed in detail and the regulation for various properties of NG is analysed. For the well-defined NGs, including planar and non-planar ones, the challenges and perspectives of their potential applications in nonlinear optical material, gas molecular detector and gas separation material, hydrogen storage material, and hole-transporting material in perovskite solar cells are envisioned.

  10. Stochasticity in materials structure, properties, and processing—A review

    Science.gov (United States)

    Hull, Robert; Keblinski, Pawel; Lewis, Dan; Maniatty, Antoinette; Meunier, Vincent; Oberai, Assad A.; Picu, Catalin R.; Samuel, Johnson; Shephard, Mark S.; Tomozawa, Minoru; Vashishth, Deepak; Zhang, Shengbai

    2018-03-01

    We review the concept of stochasticity—i.e., unpredictable or uncontrolled fluctuations in structure, chemistry, or kinetic processes—in materials. We first define six broad classes of stochasticity: equilibrium (thermodynamic) fluctuations; structural/compositional fluctuations; kinetic fluctuations; frustration and degeneracy; imprecision in measurements; and stochasticity in modeling and simulation. In this review, we focus on the first four classes that are inherent to materials phenomena. We next develop a mathematical framework for describing materials stochasticity and then show how it can be broadly applied to these four materials-related stochastic classes. In subsequent sections, we describe structural and compositional fluctuations at small length scales that modify material properties and behavior at larger length scales; systems with engineered fluctuations, concentrating primarily on composite materials; systems in which stochasticity is developed through nucleation and kinetic phenomena; and configurations in which constraints in a given system prevent it from attaining its ground state and cause it to attain several, equally likely (degenerate) states. We next describe how stochasticity in these processes results in variations in physical properties and how these variations are then accentuated by—or amplify—stochasticity in processing and manufacturing procedures. In summary, the origins of materials stochasticity, the degree to which it can be predicted and/or controlled, and the possibility of using stochastic descriptions of materials structure, properties, and processing as a new degree of freedom in materials design are described.

  11. Crystal structure and cation exchanging properties of a novel open framework phosphate of Ce (IV)

    Energy Technology Data Exchange (ETDEWEB)

    Bevara, Samatha; Achary, S. N., E-mail: sachary@barc.gov.in; Tyagi, A. K. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Homi Bhabha National Insitute, Anushakti Nagar, Mumbai 400094 (India); Patwe, S. J. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Sinha, A. K. [Indus Synchrotrons Utilization Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Mishra, R. K.; Kumar, Amar; Kaushik, C. P. [Waste Management Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

    2016-05-23

    Herein we report preparation, crystal structure and ion exchanging properties of a new phosphate of tetravalent cerium, K{sub 2}Ce(PO{sub 4}){sub 2}. A monoclinic structure having framework type arrangement of Ce(PO{sub 4}){sub 6} units formed by C2O{sub 8} square-antiprism and PO{sub 4} tetrahedra is assigned for K{sub C}e(PO{sub 4}){sub 2}. The K{sup +} ions are occupied in the channels formed by the Ce(PO{sub 4})6 and provide overall charge neutrality. The unique channel type arrangements of the K+ make them exchangeable with other cations. The ion exchanging properties of K2Ce(PO4)2 has been investigated by equilibrating with solution of 90Sr followed by radiometric analysis. In optimum conditions, significant exchange of K+ with Sr2+ with Kd ~ 8000 mL/g is observed. The details of crystal structure and ion exchange properties are explained and a plausible mechanism for ion exchange is presented.

  12. Atomic structures and electronic properties of phosphorene grain boundaries

    International Nuclear Information System (INIS)

    Guo, Yu; Zhou, Si; Bai, Yizhen; Zhao, Jijun; Zhang, Junfeng

    2016-01-01

    Grain boundary (GB) is one main type of defects in two-dimensional (2D) crystals, and has significant impact on the physical properties of 2D materials. Phosphorene, a recently synthesized 2D semiconductor, possesses a puckered honeycomb lattice and outstanding electronic properties. It is very interesting to know the possible GBs present in this novel material, and how their properties differ from those in the other 2D materials. Based on first-principles calculations, we explore the atomic structure, thermodynamic stability, and electronic properties of phosphorene GBs. A total of 19 GBs are predicted and found to be energetically stable with formation energies much lower than those in graphene. These GBs do not severely affect the electronic properties of phosphorene: the band gap of perfect phosphorene is preserved, and the electron mobilities are only moderately reduced in these defective systems. Our theoretical results provide vital guidance for experimental tailoring the electronic properties of phosphorene as well as the device applications using phosphorene materials. (paper)

  13. Nanocellulose as a sustainable biomass material: structure, properties, present status and future prospects in biomedical applications.

    Science.gov (United States)

    Xue, Yan; Mou, Zihao; Xiao, Huining

    2017-10-12

    Nanocellulose, extracted from the most abundant biomass material cellulose, has proved to be an environmentally friendly material with excellent mechanical performance owing to its unique nano-scaled structure, and has been used in a variety of applications as engineering and functional materials. The great biocompatibility and biodegradability, in particular, render nanocellulose promising in biomedical applications. In this review, the structure, treatment technology and properties of three different nanocellulose categories, i.e., nanofibrillated cellulose (NFC), nanocrystalline cellulose (NCC) and bacterial nanocellulose (BNC), are introduced and compared. The cytotoxicity, biocompatibility and frontier applications in biomedicine of the three nanocellulose categories were the focus and are detailed in each section. Future prospects concerning the cytotoxicity, applications and industrial production of nanocellulose are also discussed in the last section.

  14. Synthesis, Structure, and Luminescent Properties of Europium-Doped Hydroxyapatite Nanocrystalline Powders

    International Nuclear Information System (INIS)

    Ciobanu, C.S.; Iconaru, S.L.; Predoi, D.; Massuyeau, F.; Constantin, L.V.; Costescu, A.

    2012-01-01

    The luminescent europium-doped hydroxyapatite (Eu:HAp, Ca 10-x Eu x (PO 4 ) 6 (OH) 2 ) with 0>x>0.2 nanocrystalline powders was synthesized by coprecipitation. The structural, morphological, and textural properties were well characterized by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy. The vibrational studies were performed by Fourier transform infrared, Raman, and photoluminescence spectroscopies. The X-ray diffraction analysis revealed that hydroxyapatite is the unique crystalline constituent of all the samples, indicating that Eu has been successfully inserted into the HAp lattice. Eu doping inhibits HAp crystallization, leading to a decrease of the average crystallite size from around 20 nm in the undoped sample to around 7 nm in the sample with the highest Eu concentration. Furthermore, the samples show the characteristic 5 D 0 → 7 F 0 transition observed at 578 nm related to Eu 3+ ions distributed on Ca 2+ sites of the apatitic structure

  15. A High-Resolution Crystal Structure of a Psychrohalophilic α-Carbonic Anhydrase from Photobacterium profundum Reveals a Unique Dimer Interface.

    Directory of Open Access Journals (Sweden)

    Vijayakumar Somalinga

    Full Text Available Bacterial α-carbonic anhydrases (α-CA are zinc containing metalloenzymes that catalyze the rapid interconversion of CO2 to bicarbonate and a proton. We report the first crystal structure of a pyschrohalophilic α-CA from a deep-sea bacterium, Photobacterium profundum. Size exclusion chromatography of the purified P. profundum α-CA (PprCA reveals that the protein is a heterogeneous mix of monomers and dimers. Furthermore, an "in-gel" carbonic anhydrase activity assay, also known as protonography, revealed two distinct bands corresponding to monomeric and dimeric forms of PprCA that are catalytically active. The crystal structure of PprCA was determined in its native form and reveals a highly conserved "knot-topology" that is characteristic of α-CA's. Similar to other bacterial α-CA's, PprCA also crystallized as a dimer. Furthermore, dimer interface analysis revealed the presence of a chloride ion (Cl- in the interface which is unique to PprCA and has not been observed in any other α-CA's characterized so far. Molecular dynamics simulation and chloride ion occupancy analysis shows 100% occupancy for the Cl- ion in the dimer interface. Zinc coordinating triple histidine residues, substrate binding hydrophobic patch residues, and the hydrophilic proton wire residues are highly conserved in PprCA and are identical to other well-studied α-CA's.

  16. Review of Differences of Steel related Properties between Proposals of European Structural Codes

    DEFF Research Database (Denmark)

    Hertz, Kristian Dahl

    Differences of Steel related Properties between fire chapters of the Proposals of European Structural Codes are indicated for the same physical properties, the right properties are found and it is proposed to use these properties in all codes.......Differences of Steel related Properties between fire chapters of the Proposals of European Structural Codes are indicated for the same physical properties, the right properties are found and it is proposed to use these properties in all codes....

  17. Structure and Electronic Properties of Cerium Orthophosphate: Theory and Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Adelstein, Nicole; Mun, B. Simon; Ray, Hannah; Ross Jr, Phillip; Neaton, Jeffrey; De Jonghe, Lutgard

    2010-07-27

    Structural and electronic properties of cerium orthophosphate (CePO{sub 4}) are calculated using density functional theory (DFT) with the local spin-density approximation (LSDA+U), with and without gradient corrections (GGA-(PBE)+U), and compared to X-ray diffraction and photoemission spectroscopy measurements. The density of states is found to change significantly as the Hubbard parameter U, which is applied to the Ce 4f states, is varied from 0 to 5 eV. The calculated structural properties are in good agreement with experiment and do not change significantly with U. Choosing U = 3 eV for LDSA provides the best agreement between the calculated density of states and the experimental photoemission spectra.

  18. Structure-Property Relationship in High Tg Thermosetting Polyimides

    Science.gov (United States)

    Chuang, Kathy C.; Meador, Mary Ann B.; HardyGreen, DeNise

    2000-01-01

    This viewgraph presentation gives an overview of the structure-property relationship in high glass transition temperatures (T(sub g)) thermosetting polyimides. The objectives of this work are to replace MDA in PMR-15 with 2,2-substituted benzidine and to evaluate the thermo-oxidative stability and mechanical properties of DMBZ-15 against PMR-15. Details are given on the T(sub g) of polyimide resins, the x-ray crystal structure of 2,2-Bis(trifluoro)benzidine (BFBZ), the isothermal aging of polyimide resins at 288 C under 1 atm of circulating air, the compressive strength of polyimide composites, and a gas evaluation profile of DMBZ-15 polyimide resins.

  19. Optical properties of a multibarrier structure under intense laser fields

    Science.gov (United States)

    Ospina, D. A.; Akimov, V.; Mora-Ramos, M. E.; Morales, A. L.; Tulupenko, V.; Duque, C. A.

    2015-11-01

    Using the diagonalization method and within the effective mass and parabolic band approximations, the energy spectrum and the wave functions are investigated in biased multibarrier structure taking into account the effects of nonresonant intense laser fields. We calculated the optical properties from the susceptibility using a nonperturbative formalism recently reported. We study the changes in the intersubband optical absorption coefficients and refraction index for several values of the dressing laser parameter and for some specific values of the electric field applied along the growth direction of the heterostructure. It is concluded from our study that the peaks in the optical absorption spectrum have redshifts or blueshifts as a function of the laser parameter and the electric field. These parameters could be suitable tools for tuning the electronic and optical properties of the multibarrier structure.

  20. Correlated structure-optical properties studies of plasmonic nanoparticles

    International Nuclear Information System (INIS)

    Ringe, Emilie; Duyne, Richard P Van; Marks, Laurence D

    2014-01-01

    Interest in nanotechnology is driven by unprecedented means to tailor the physical behaviour via structure and composition. Unlike bulk materials, minute changes in size and shape can affect the optical properties of nanoparticles. Characterization, understanding, and prediction of such structure-function relationships is crucial to the development of novel applications such as plasmonic sensors, devices, and drug delivery systems. Such knowledge has been recently vastly expanded through systematic, high throughput correlated measurements, where the localized surface plasmon resonance (LSPR) is probed optically and the particle shape investigated with electron microscopy. This paper will address some of the recent experimental advances in single particle studies that provide new insight not only on the effects of size, composition, and shape on plasmonic properties but also their interrelation. Plasmon resonance frequency and decay, substrate effects, size, shape, and composition will be explored for a variety of plasmonic systems

  1. Mechanical properties of Composite Engineering Structures by Multivolume Micromechanical Modelling

    Directory of Open Access Journals (Sweden)

    B. Novotný

    2000-01-01

    Full Text Available Engineering structures often consist of elements having the character of a periodically repeated composite structure. A multivolume micromechanical model based on a representative cell division into r1 × r2 × r3 subcells with different elastic material properties has been used in this paper to derive macromechanical characteristics of the composite construction response to applied load and temperature changes. The multivolume method is based on ensuring the equilibrium of the considered volume on an average basis. In the same (average way, the continuity conditions of displacements and tractions at the interfaces between subcells and between neighboring representative elements are imposed, resulting in a homogenization procedure that eliminates the discrete nature of the composite model. The details of the method are shown for the case of a concrete block pavement. A parametric study is presented illustrating the influence of joint thickness, joint filling material properties and the quality of bonding between block and filler elements.

  2. Structural, optical and thermal properties of nanoporous aluminum

    International Nuclear Information System (INIS)

    Ghrib, Taher

    2015-01-01

    Highlights: • A simple electrochemical technique is presented and used to manufacture a porous aluminum layer. • Manufactured pores of 40 nm diameter and 200 nm depth are filled by nanocrystal of silicon and graphite. • Dimensions of pores increase with the anodization current which ameliorate the optical and thermal properties. • A new thermal method is presented which permit to determine the pores density and the layer thickness. • All properties show that the manufactured material can be used with success in solar cells. - Abstract: In this work the structural, thermal and optical properties of porous aluminum thin film formed with various intensities of anodization current in sulfuric acid are highlighted. The obtained pores at the surface are filled by sprayed graphite and nanocrystalline silicon (nc-Si) thin films deposited by plasma enhancement chemical vapor deposition (PECVD) which the role is to improve its optical and thermal absorption giving a structure of an assembly of three different media such as deposited thin layer (graphite or silicon)/(porous aluminum layer filled with the deposited layer)/(Al sample). The effect of anodization current on the microstructure of porous aluminum and the effect of the deposited layer were systematically studied by atomic force microscopy (AFM), transmission electron microscopy (TEM) and Raman spectroscopy. The thermal properties such as the thermal conductivity (K) and thermal diffusivity (D) are determined by the photothermal deflection (PTD) technique which is a non destructive technique. Based on this full characterization, it is demonstrated that the thermal and optical characteristics of these films are directly correlated to their micro-structural properties

  3. Bioinspired Cellular Structures: Additive Manufacturing and Mechanical Properties

    Science.gov (United States)

    Stampfl, J.; Pettermann, H. E.; Liska, R.

    Biological materials (e.g., wood, trabecular bone, marine skeletons) rely heavily on the use of cellular architecture, which provides several advantages. (1) The resulting structures can bear the variety of "real life" load spectra using a minimum of a given bulk material, featuring engineering lightweight design principles. (2) The inside of the structures is accessible to body fluids which deliver the required nutrients. (3) Furthermore, cellular architectures can grow organically by adding or removing individual struts or by changing the shape of the constituting elements. All these facts make the use of cellular architectures a reasonable choice for nature. Using additive manufacturing technologies (AMT), it is now possible to fabricate such structures for applications in engineering and biomedicine. In this chapter, we present methods that allow the 3D computational analysis of the mechanical properties of cellular structures with open porosity. Various different cellular architectures including disorder are studied. In order to quantify the influence of architecture, the apparent density is always kept constant. Furthermore, it is shown that how new advanced photopolymers can be used to tailor the mechanical and functional properties of the fabricated structures.

  4. Electronic structure properties of UO2 as a Mott insulator

    Science.gov (United States)

    Sheykhi, Samira; Payami, Mahmoud

    2018-06-01

    In this work using the density functional theory (DFT), we have studied the structural, electronic and magnetic properties of uranium dioxide with antiferromagnetic 1k-, 2k-, and 3k-order structures. Ordinary approximations in DFT, such as the local density approximation (LDA) or generalized gradient approximation (GGA), usually predict incorrect metallic behaviors for this strongly correlated electron system. Using Hubbard term correction for f-electrons, LDA+U method, as well as using the screened Heyd-Scuseria-Ernzerhof (HSE) hybrid functional for the exchange-correlation (XC), we have obtained the correct ground-state behavior as an insulator, with band gaps in good agreement with experiment.

  5. Field emission properties of an array of pyramidal structures

    Energy Technology Data Exchange (ETDEWEB)

    De Assis, Thiago A [Departamento de QuImica, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Borondo, F [Departamento de QuImica, Instituto Mixto de Ciencias Matematicas CSIC-UAM-UC3M-UCM, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); De Castilho, C M C; Brito Mota, F [Grupo de Fisica de SuperfIcies e Materiais, Instituto de Fisica, Universidade Federal da Bahia, Campus Universitario da Federacao, 40210-340, Salvador, BA (Brazil); Benito, R M, E-mail: t.albuquerque@uam.e, E-mail: f.borondo@uam.e, E-mail: caio@ufba.b, E-mail: fbmota@ufba.b, E-mail: rosamaria.benito@upm.e [Grupo de Sistemas Complejos, Departamento de Fisica y Mecanica, Escuela Tecnica Superior de Ingenieros Agronomos, Universidad Politecnica de Madrid, Ciudad Universitaria, 28040 Madrid (Spain)

    2009-10-07

    The properties and efficiency of the emission current density produced by a metallic array of pyramidal structures are investigated. The theoretical results obtained by numerical integration of the corresponding Laplace equation using a finite differences scheme offer useful information for the optimization of field emission devices based on cathodes with this geometry. Our study shows that the inter-pyramidal distance strongly affects the current density, and even more important for this issue is the protrusion characteristics of these structures. Another relevant, although less important, parameter determining this density is the anode-cathode distance. The effect of the array characteristics on the maximum local electric field intensity is also discussed.

  6. Electric Field Structures in Thin Films: Formation and Properties

    DEFF Research Database (Denmark)

    Cassidy, Andrew; Plekan, Oksana; Balog, Richard

    2014-01-01

    A newly discovered class of molecular materials, so-called “spontelectrics”, display spontaneous electric fields. Here we show that the novel properties of spontelectrics can be used to create composite spontelectrics, illustrating how electric fields in solid films may be structured on the nanoscale...... by combining layers of different spontelectric materials. This is demonstrated using the spontelectric materials nitrous oxide, toluene, isoprene, isopentane, and CF2Cl2. These yield a variety of tailored electric field structures, with individual layers harboring fields between 107 and 108 V/m. Fields may...

  7. Metal Oxide Nano structures: Synthesis, Properties, and Applications

    International Nuclear Information System (INIS)

    Xu, L. H.; Patil, D. S.; Yang, J.; Xiao, J.

    2015-01-01

    In recent years, nano structured materials have attracted wide attention due to their fascinating optical and electrical properties, which make these materials potentially suitable for applications in electronics, optics, photonics, and sensors. Some metal oxides show a wide variety of morphologies such as nano wires, nano rods, nano tubes, nano rings, and nano belts. Synthesis and investigation of these metal-oxide nano structures are beneficial not only for understanding the fundamental phenomena in low dimensional systems, but also for developing new-generation nano devices with high performance.

  8. Structure and mechanical properties of the irradiated silicon

    International Nuclear Information System (INIS)

    Kalanov, M.U.; Khamraeva, R.N.; Ummatov, Kh.D.; Khajdarov, T.Kh.; Rustamova, V.M.

    2001-01-01

    In this work the results of study for radiation influence on phase content and mechanical properties of mono- and polycrystalline silicon are presented. Samples were irradiated at room temperature for 10 hours by X-quanta with mean energy 35 keV. Structural measurements were carried out on the DRON-UM1 with CuK α =1.542 Angstrom. Crystal internal friction was measurement by the ultrasonic resonance method at frequency 39 k Hz. Structure examinations show the impurity phase presence in the crystalline quartz form in the initial silicon mono- and polycrystals

  9. Electronic structure and optical properties of solid C60

    International Nuclear Information System (INIS)

    Mattesini, M.; Ahuja, R.; Sa, L.; Hugosson, H.W.; Johansson, B.; Eriksson, O.

    2009-01-01

    The electronic structure and the optical properties of face-centered-cubic C 60 have been investigated by using an all-electron full-potential method. Our ab initio results show that the imaginary dielectric function for high-energy values looks very similar to that of graphite, revealing close electronic structure similarities between the two systems. We have also identified the origin of different peaks in the dielectric function of fullerene by means of the calculated electronic density of states. The computed optical spectrum compares fairly well with the available experimental data for the Vis-UV absorption spectrum of solid C 60 .

  10. Cardiac contractility structure-activity relationship and ligand-receptor interactions; the discovery of unique and novel molecular switches in myosuppressin signaling.

    Directory of Open Access Journals (Sweden)

    Megan Leander

    Full Text Available Peptidergic signaling regulates cardiac contractility; thus, identifying molecular switches, ligand-receptor contacts, and antagonists aids in exploring the underlying mechanisms to influence health. Myosuppressin (MS, a decapeptide, diminishes cardiac contractility and gut motility. Myosuppressin binds to G protein-coupled receptor (GPCR proteins. Two Drosophila melanogaster myosuppressin receptors (DrmMS-Rs exist; however, no mechanism underlying MS-R activation is reported. We predicted DrmMS-Rs contained molecular switches that resembled those of Rhodopsin. Additionally, we believed DrmMS-DrmMS-R1 and DrmMS-DrmMS-R2 interactions would reflect our structure-activity relationship (SAR data. We hypothesized agonist- and antagonist-receptor contacts would differ from one another depending on activity. Lastly, we expected our study to apply to other species; we tested this hypothesis in Rhodnius prolixus, the Chagas disease vector. Searching DrmMS-Rs for molecular switches led to the discovery of a unique ionic lock and a novel 3-6 lock, as well as transmission and tyrosine toggle switches. The DrmMS-DrmMS-R1 and DrmMS-DrmMS-R2 contacts suggested tissue-specific signaling existed, which was in line with our SAR data. We identified R. prolixus (RhpMS-R and discovered it, too, contained the unique myosuppressin ionic lock and novel 3-6 lock found in DrmMS-Rs as well as transmission and tyrosine toggle switches. Further, these motifs were present in red flour beetle, common water flea, honey bee, domestic silkworm, and termite MS-Rs. RhpMS and DrmMS decreased R. prolixus cardiac contractility dose dependently with EC50 values of 140 nM and 50 nM. Based on ligand-receptor contacts, we designed RhpMS analogs believed to be an active core and antagonist; testing on heart confirmed these predictions. The active core docking mimicked RhpMS, however, the antagonist did not. Together, these data were consistent with the unique ionic lock, novel 3-6 lock

  11. RaptorX-Property: a web server for protein structure property prediction.

    Science.gov (United States)

    Wang, Sheng; Li, Wei; Liu, Shiwang; Xu, Jinbo

    2016-07-08

    RaptorX Property (http://raptorx2.uchicago.edu/StructurePropertyPred/predict/) is a web server predicting structure property of a protein sequence without using any templates. It outperforms other servers, especially for proteins without close homologs in PDB or with very sparse sequence profile (i.e. carries little evolutionary information). This server employs a powerful in-house deep learning model DeepCNF (Deep Convolutional Neural Fields) to predict secondary structure (SS), solvent accessibility (ACC) and disorder regions (DISO). DeepCNF not only models complex sequence-structure relationship by a deep hierarchical architecture, but also interdependency between adjacent property labels. Our experimental results show that, tested on CASP10, CASP11 and the other benchmarks, this server can obtain ∼84% Q3 accuracy for 3-state SS, ∼72% Q8 accuracy for 8-state SS, ∼66% Q3 accuracy for 3-state solvent accessibility, and ∼0.89 area under the ROC curve (AUC) for disorder prediction. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  12. Structural properties of silicon clusters: An empirical potential study

    International Nuclear Information System (INIS)

    Gong, X.G.; Zheng, Q.Q.; He Yizhen

    1993-09-01

    By using our newly proposed empirical interatomic potential for silicon, the structure and some dynamical properties of silicon cluster Si n (10 ≤ n ≤ 24) have been studied. It is found that the obtained results are close to those from ab-initio methods. From present results, we can gain a new insight into the understanding of the experimental data on the Si n clusters. (author). 20 refs, 6 figs

  13. Structural and electronic properties of hydrosilylated silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baumer, A.

    2005-11-15

    The structural and electronic properties of alkyl-terminated Si surfaces prepared by thermallyinduced hydrosilylation have been studied in detail in the preceding chapters. Various surfaces have been used for the functionalization ranging from crystalline Si over amorphous hydrogenated Si to nanoscaled materials such as Si nanowires and nanoparticles. In each case, the alkyl-terminated surfaces have been compared to the native oxidized and H-terminated surfaces. (orig.)

  14. Emergent intelligent properties of progressively structured pattern recognition nets

    Energy Technology Data Exchange (ETDEWEB)

    Aleksander, I

    1983-07-01

    The n-tuple recognition net is seen as a building brick of a progression of network structures. The emergent intelligent properties of such systems are discussed. They include the amplification of confidence for the recognition of images that differ in small detail, a short term memory of the last seen image, sequence sensitivity, sequence sensitivity, sequence acceptance and saccadic inspection as an aid in scene analysis. 12 references.

  15. Negative binomial properties and clan structure in multiplicity distributions

    International Nuclear Information System (INIS)

    Giovannini, A.; Van Hove, L.

    1988-01-01

    We review the negative binomial properties measured recently for many multiplicity distributions of high energy hadronic, semi-leptonic reactions in selected rapidity intervals. We analyse them in terms of the ''clan'' structure which can be defined for any negative binomial distribution. By comparing reactions we exhibit a number of regularities for the average number N-bar of clans and the average charged multiplicity (n-bar) c per clan. 22 refs., 6 figs. (author)

  16. Material Properties Analysis of Structural Members in Pumpkin Balloons

    Science.gov (United States)

    Sterling, W. J.

    2003-01-01

    The efficient design, service-life qualification, and reliability predictions for lightweight aerospace structures require careful mechanical properties analysis of candidate structural materials. The demand for high-quality laboratory data is particularly acute when the candidate material or the structural design has little history. The pumpkin-shaped super-pressure balloon presents both challenges. Its design utilizes load members (tendons) extending from apex to base around the gas envelope to achieve a lightweight structure. The candidate tendon material is highly weight-efficient braided HM cord. Previous mechanical properties studies of Zylon have focused on fiber and yarn, and industrial use of the material in tensile applications is limited. For high-performance polymers, a carefully plamed and executed properties analysis scheme is required to ensure the data are relevant to the desired application. Because no directly-applicable testing standard was available, a protocol was developed based on guidelines fiom professional and industry organizations. Due to the liquid-crystalline nature of the polymer, the cord is very stiff, creeps very little, and does not yield. Therefore, the key material property for this application is the breaking strength. The pretension load and gauge length were found to have negligible effect on the measured breaking strength over the ranges investigated. Strain rate was found to have no effect on breaking strength, within the range of rates suggested by the standards organizations. However, at the lower rate more similar to ULDB operations, the strength was reduced. The breaking strength increased when the experiment temperature was decreased from ambient to 183K which is the lowest temperature ULDB is expected to experience. The measured strength under all test conditions was well below that resulting from direct scale-up of fiber strength based on the manufacturers data. This expected result is due to the effects of the

  17. Liposomes: structure, properties and methods of curative administration in organism

    Directory of Open Access Journals (Sweden)

    M. A. Kisyakova

    2010-07-01

    Full Text Available A review of data from scientific sources, devoted to problems of liposomes’ structure, properties and processes of formation was made. Advantages of liposomes used for medical purposes are shown. Methods of liposomes administration in an organism are characterised. Data on mechanisms of interaction between liposomes and cells, peculiarities of liposomes’ lipids composition and dependence of its tropism to definite organs and tissues are generalised.

  18. (Biodegradable Ionomeric Polyurethanes Based on Xanthan: Synthesis, Properties, and Structure

    Directory of Open Access Journals (Sweden)

    T. V. Travinskaya

    2017-01-01

    Full Text Available New (biodegradable environmentally friendly film-forming ionomeric polyurethanes (IPU based on renewable biotechnological polysaccharide xanthan (Xa have been obtained. The influence of the component composition on the colloidal-chemical and physic-mechanical properties of IPU/Xa and based films, as well as the change of their properties under the influence of environmental factors, have been studied. The results of IR-, PMS-, DMA-, and X-ray scattering study indicate that incorporation of Xa into the polyurethane chain initiates the formation of a new polymer structure different from the structure of the pure IPU (matrix: an amorphous polymer-polymer microdomain has occurred as a result of the chemical interaction of Xa and IPU. It predetermines the degradation of the IPU/Xa films as a whole, unlike the mixed polymer systems, and plays a key role in the improvement of material performance. The results of acid, alkaline hydrolysis, and incubation into the soil indicate the increase of the intensity of degradation processes occurring in the IPU/Xa in comparison with the pure IPU. It has been shown that the introduction of Xa not only imparts the biodegradability property to polyurethane, but also improves the mechanical properties.

  19. Structure and properties of cell membranes. Volume 3: Methodology and properties of membranes

    International Nuclear Information System (INIS)

    Benga, G.

    1985-01-01

    This book covers the topics: Quantum chemical approach to study the mechanisms of proton translocation across membranes through protein molecules; monomolecular films as biomembrane models; planar lipid bilayers in relation to biomembranes; relation of liposomes to cell membranes; reconstitution of membrane transport systems; structure-function relationships in cell membranes as revealed by X-ray techniques; structure-function relationships in cell membranes as revealed by spin labeling ESR; structure and dynamics of cell membranes as revealed by NMR techniques; the effect of dietary lipids on the composition and properties of biological membranes and index

  20. Materials science in microelectronics II the effects of structure on properties in thin films

    CERN Document Server

    Machlin, Eugene

    2005-01-01

    The subject matter of thin-films - which play a key role in microelectronics - divides naturally into two headings: the processing / structure relationship, and the structure / properties relationship. Part II of 'Materials Science in Microelectronics' focuses on the latter of these relationships, examining the effect of structure on the following: Electrical properties Magnetic properties Optical properties Mechanical properties Mass transport properties Interface and junction properties Defects and properties Captures the importance of thin films to microelectronic development Examines the cause / effect relationship of structure on thin film properties.

  1. Mechanical properties of LMR structural materials at high temperature

    International Nuclear Information System (INIS)

    Kim, D. W.; Kuk, I. H.; Ryu, W. S. and others

    1999-03-01

    Austenitic stainless is used for the structural material of liquid metal reactor (LMR) because of good mechanical properties at high temperature. Stainless steel having more resistant to temperature by adding minor element has been developing for operating the LMR at higher temperature. Of many elements, nitrogen is a prospective element to modify type 316L(N) stainless steel because nitrogen is the most effective element for solid solution and because nitrogen retards the precipitation of carbide at grain boundary. Ti, Nb, and V are added to improve creep properties by stabilizing the carbides through forming MC carbide. Testing techniques of tensile, fatigue, creep, and creep-fatigue at high temperature are difficult. Moreover, testing times for creep and creep-fatigue tests are very long up to several tens of thousands hours because creep and creep-fatigue phenomena are time-dependent damage mechanism. So, it is hard to acquire the material data for designing LMR systems during a limited time. In addition, the integrity of LMR structural materials at the end of LMR life has to be predicted from the laboratory data tested during the short term because there is no data tested during 40 years. Therefore, the effect of elements on mechanical properties at high temperature was reviewed in this study and many methods to predict the long-term behaviors of structural materials by simulated modelling equation is shown in this report. (author). 32 refs., 9 tabs., 38 figs

  2. Unique structure of iC3b resolved at a resolution of 24 Å by 3D-electron microscopy.

    Science.gov (United States)

    Alcorlo, Martin; Martínez-Barricarte, Ruben; Fernández, Francisco J; Rodríguez-Gallego, César; Round, Adam; Vega, M Cristina; Harris, Claire L; de Cordoba, Santiago Rodríguez; Llorca, Oscar

    2011-08-09

    Activation of C3, deposition of C3b on the target surface, and subsequent amplification by formation of a C3-cleaving enzyme (C3-convertase; C3bBb) triggers the effector functions of complement that result in inflammation and cell lysis. Concurrently, surface-bound C3b is proteolyzed to iC3b by factor I and appropriate cofactors. iC3b then interacts with the complement receptors (CR) of the Ig superfamily, CR2 (CD21), CR3 (CD11b/CD18), and CR4 (CD11c/CD18) on leukocytes, down-modulating inflammation, enhancing B cell-mediated immunity, and targeting pathogens for clearance by phagocytosis. Using EM and small-angle X-ray scattering, we now present a medium-resolution structure of iC3b (24 Å). iC3b displays a unique conformation with structural features distinct from any other C3 fragment. The macroglobulin ring in iC3b is similar to that in C3b, whereas the TED (thioester-containing domain) domain and the remnants of the CUB (complement protein subcomponents C1r/C1s, urchin embryonic growth factor and bone morphogenetic protein 1) domain have moved to locations more similar to where they were in native C3. A consequence of this large conformational change is the disruption of the factor B binding site, which renders iC3b unable to assemble a C3-convertase. This structural model also justifies the decreased interaction between iC3b and complement regulators and the recognition of iC3b by the CR of the Ig superfamily, CR2, CR3, and CR4. These data further illustrate the extraordinary conformational versatility of C3 to accommodate a great diversity of functional activities.

  3. Food structure: Its formation and relationships with other properties.

    Science.gov (United States)

    Joardder, Mohammad U H; Kumar, Chandan; Karim, M A

    2017-04-13

    Food materials are complex in nature as it has heterogeneous, amorphous, hygroscopic and porous properties. During processing, microstructure of food materials changes which significantly affects other properties of food. An appropriate understanding of the microstructure of the raw food material and its evolution during processing is critical in order to understand and accurately describe dehydration processes and quality anticipation. This review critically assesses the factors that influence the modification of microstructure in the course of drying of fruits and vegetables. The effect of simultaneous heat and mass transfer on microstructure in various drying methods is investigated. Effects of changes in microstructure on other functional properties of dried foods are discussed. After an extensive review of the literature, it is found that development of food structure significantly depends on fresh food properties and process parameters. Also, modification of microstructure influences the other properties of final product. An enhanced understanding of the relationships between food microstructure, drying process parameters and final product quality will facilitate the energy efficient optimum design of the food processor in order to achieve high-quality food.

  4. Composite Polymer Electrolytes: Nanoparticles Affect Structure and Properties

    Directory of Open Access Journals (Sweden)

    Wei Wang

    2016-11-01

    Full Text Available Composite polymer electrolytes (CPEs can significantly improve the performance in electrochemical devices such as lithium-ion batteries. This review summarizes property/performance relationships in the case where nanoparticles are introduced to polymer electrolytes. It is the aim of this review to provide a knowledge network that elucidates the role of nano-additives in the CPEs. Central to the discussion is the impact on the CPE performance of properties such as crystalline/amorphous structure, dielectric behavior, and interactions within the CPE. The amorphous domains of semi-crystalline polymer facilitate the ion transport, while an enhanced mobility of polymer chains contributes to high ionic conductivity. Dielectric properties reflect the relaxation behavior of polymer chains as an important factor in ion conduction. Further, the dielectric constant (ε determines the capability of the polymer to dissolve salt. The atom/ion/nanoparticle interactions within CPEs suggest ways to enhance the CPE conductivity by generating more free lithium ions. Certain properties can be improved simultaneously by nanoparticle addition in order to optimize the overall performance of the electrolyte. The effects of nano-additives on thermal and mechanical properties of CPEs are also presented in order to evaluate the electrolyte competence for lithium-ion battery applications.

  5. Mechanical properties of crossed-lamellar structures in biological shells: A review.

    Science.gov (United States)

    Li, X W; Ji, H M; Yang, W; Zhang, G P; Chen, D L

    2017-10-01

    The self-fabrication of materials in nature offers an alternate and powerful solution towards the grand challenge of designing advanced structural materials, where strength and toughness are always mutually exclusive. Crossed-lamellar structures are the most common microstructures in mollusks that are composed of aragonites and a small amount of organic materials. Such a distinctive composite structure has a fracture toughness being much higher than that of pure carbonate mineral. These structures exhibiting complex hierarchical microarchitectures that span several sub-level lamellae from microscale down to nanoscale, can be grouped into two types, i.e., platelet-like and fiber-like crossed-lamellar structures based on the shapes of basic building blocks. It has been demonstrated that these structures have a great potential to strengthen themselves during deformation. The observed underlying toughening mechanisms include microcracking, channel cracking, interlocking, uncracked-ligament bridging, aragonite fiber bridging, crack deflection and zig-zag, etc., which play vital roles in enhancing the fracture resistance of shells with the crossed-lamellar structures. The exploration and utilization of these important toughening mechanisms have attracted keen interests of materials scientists since they pave the way for the development of bio-inspired advanced composite materials for load-bearing structural applications. This article is aimed to review the characteristics of hierarchical structures and the mechanical properties of two kinds of crossed-lamellar structures, and further summarize the latest advances and biomimetic applications based on the unique crossed-lamellar structures. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. The limiting layer of fish scales: Structure and properties.

    Science.gov (United States)

    Arola, D; Murcia, S; Stossel, M; Pahuja, R; Linley, T; Devaraj, Arun; Ramulu, M; Ossa, E A; Wang, J

    2018-02-01

    significant differences in the surface morphology of the LL from posterior and anterior regions in the scales, and between the three species. In addition, the composition of the LL is also unique among the three fish. Results from nanoindentation showed that the LL of tarpon scales is the hardest, followed by the carp and the arapaima and the differences in hardness are related to the apatite structure, possibly induced by the growth rate and environment of each fish. In addition, a new feature was indentified in the LL, which has not been discussed before. As such, we feel this work is unique and makes a significant contribution to the field. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  7. Structure and optical properties of water covered Cu(110) surfaces

    International Nuclear Information System (INIS)

    Baghbanpourasl, A.

    2014-01-01

    In this thesis structural and optical properties of the water covered Cu(110) surface is studied using density functional theory within independent particle approximation. Several stable adsorption structures are studied such as water clusters (monomer, dimer, trimer, tetramer and pentamer), different hexagonal monolayers, partially dissociated water monolayers and three different types of chains among them a chain that consists of pentagon rings. For a copper surface in contact with water vapor, the energetically stable H 2 O/OH adsorbed structures are compared thermodynamically using adsorption free energy (change of free energy due to adsorption). Several phase diagrams with respect to temperature and pressure are calculated. It is found that among the large number of energetically stable structures (i.e. structures with positive adsorption energy ) only limited number of them are thermodynamically stable. These thermodynamically stable structures are the class of almost energetically degenerate hexagonal overlayers, one type of partially dissociated water structure that contains Bjerrum defect in the hydrogen bond network and pentagon chain. Since hydrogen atoms are light weight their vibrational effects can be considerable. Zero point vibration decreases the adsorption energy up to 0.1 eV and free energy of adsorbed molecules arising from vibrational degree of freedom can go up to -0.2 eV per adsorbed molecule at 500 Kelvin. However zero point energy and vibrational free energy of adsorbed molecules do not alter relative stability of the adsorbed structures. To account for the long range van der Waals interactions, a semi-empirical scheme is applied. Reflectance Anisotropy Spectroscopy (RAS) is a fast and non destructive optical method that can be used to prob the surface in different conditions such as vacuum and electro-chemical environment. Elasto-optic coeficients of bulk are calculated from first principles and the change of the RA spectrum of the bare Cu

  8. Research on working property and early age mechanical property of self-compacting concrete used in steel-concrete structure

    International Nuclear Information System (INIS)

    Zhao Yongguang

    2013-01-01

    Background: Self-compacting concrete that has good working property is the prerequisite of steel-concrete structure. The early age mechanical property of self-compacting concrete is the important parameter when design steel-concrete structure. Purpose: This paper attempts to research the working property and early age mechanical property of self-compacting concrete. Methods: Test is used to research the working property and early age mechanical property of self-compacting concrete. Results: Self-compacting concrete that could meet the requirement of steel-concrete structure has been mixed and parameters of early age mechanical property of self-compacting concrete which is necessary for design of steel-concrete structure have been presented. Conclusions: Base on the results, this paper can guide the construction of self-compacting concrete in steel-concrete structure and the design and construction of steel-concrete structure. (author)

  9. Structure and properties of copper after large strain deformation

    Energy Technology Data Exchange (ETDEWEB)

    Rodak, Kinga; Molak, Rafal M.; Pakiela, Zbigniew

    2010-05-15

    Structure and properties of Cu in dependence on strain (from {epsilon}{proportional_to} 0.9 to {epsilon}{proportional_to} 15) during multi-axial compression processing at room temperature was investigated. The evolution of dislocation structure, misorientation distribution and crystallite size were observed by using transmission electron microscopy (TEM) and scanning electron microscopy (SEM) equipment with electron back scattered diffraction (EBSD) facility. The mechanical properties of yield strength (YS), ultimate tensile strength (UTS) and uniform elongation was performed on MTS QTest/10 machine equipped with digital image correlation method (DIC). The structure-flow stress relationship of multi-axial compression processing material at strains {epsilon}{proportional_to} 3.5 and {epsilon}{proportional_to} 5.5 is discussed. It is found that processing does not produce any drastic changes in deformation structure and the microstructural refinement is slow. These results indicate that dynamic recrystallization plays an important role during multi-axial compression process in this range of deformation (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Circulating Microparticles Alter Formation, Structure, and Properties of Fibrin Clots.

    Science.gov (United States)

    Zubairova, Laily D; Nabiullina, Roza M; Nagaswami, Chandrasekaran; Zuev, Yuriy F; Mustafin, Ilshat G; Litvinov, Rustem I; Weisel, John W

    2015-12-04

    Despite the importance of circulating microparticles in haemostasis and thrombosis, there is limited evidence for potential causative effects of naturally produced cell-derived microparticles on fibrin clot formation and its properties. We studied the significance of blood microparticles for fibrin formation, structure, and susceptibility to fibrinolysis by removing them from platelet-free plasma using filtration. Clots made in platelet-free and microparticle-depleted plasma samples from the same healthy donors were analyzed in parallel. Microparticles accelerate fibrin polymerisation and support formation of more compact clots that resist internal and external fibrinolysis. These variations correlate with faster thrombin generation, suggesting thrombin-mediated kinetic effects of microparticles on fibrin formation, structure, and properties. In addition, clots formed in the presence of microparticles, unlike clots from the microparticle-depleted plasma, contain 0.1-0.5-μm size granular and CD61-positive material on fibres, suggesting that platelet-derived microparticles attach to fibrin. Therefore, the blood of healthy individuals contains functional microparticles at the levels that have a procoagulant potential. They affect the structure and stability of fibrin clots indirectly through acceleration of thrombin generation and through direct physical incorporation into the fibrin network. Both mechanisms underlie a potential role of microparticles in haemostasis and thrombosis as modulators of fibrin formation, structure, and resistance to fibrinolysis.

  11. Entropy, related thermodynamic properties, and structure of methylisocyanate

    International Nuclear Information System (INIS)

    Davis, Phil S.; Kilpatrick, John E.

    2013-01-01

    Highlights: ► The thermodynamic properties of methylisocyanate have been determined by isothermal calorimetry from 15 to 298.15 K. ► The third law entropy has been compared with the entropy calculated by statistical thermodynamics. ► The comparisons are consistent with selected proposed molecular structures and vibrational frequencies. -- Abstract: The entropy and related thermodynamic properties of methylisocyanate, CH 3 NCO, have been determined by isothermal calorimetry. The entropy in the ideal gas state at 298.15 K and 1 atmosphere is S m o = 284.3 ± 0.6 J/K · mol. Other thermodynamic properties determined include: the heat capacity from 15 to 300 K, the temperature of fusion (T fus = 178.461 ± 0.024 K), the enthalpy of fusion (ΔH fus = 7455.2 ± 14.0 J/mol), the enthalpy of vaporization at 298.15 K (ΔH vap = 28768 ± 54 J/mol), and the vapor pressure from fusion to 300 K. Using statistical thermodynamics, the entropy in this same state has been calculated for various assumed structures for methylisocyante which have been proposed based on several spectroscopic and ab initio results. Comparisons between the experimental and calculated entropy have led to the following conclusions concerning historical differences among problematic structural properties: (1) The CNC/CNO angles can have the paired values of 140/180° or 135/173° respectively. It is not possible to distinguish between the two by this thermodynamic analysis. (2) The methyl group functions as a free rotor or near free rotor against the NCO rigid frame. The barrier to internal rotation is less than 2100 J/mol. (3) The CNC vibrational bending frequency is consistent with the more recently observed assignments at 165 and 172 cm −1 with some degree of anharmonicity or with a pure harmonic at about 158 cm −1

  12. Topological properties of complex networks in protein structures

    Science.gov (United States)

    Kim, Kyungsik; Jung, Jae-Won; Min, Seungsik

    2014-03-01

    We study topological properties of networks in structural classification of proteins. We model the native-state protein structure as a network made of its constituent amino-acids and their interactions. We treat four structural classes of proteins composed predominantly of α helices and β sheets and consider several proteins from each of these classes whose sizes range from amino acids of the Protein Data Bank. Particularly, we simulate and analyze the network metrics such as the mean degree, the probability distribution of degree, the clustering coefficient, the characteristic path length, the local efficiency, and the cost. This work was supported by the KMAR and DP under Grant WISE project (153-3100-3133-302-350).

  13. Structural and electronic properties of L-amino acids

    Science.gov (United States)

    Tulip, P. R.; Clark, S. J.

    2005-05-01

    The structural and electronic properties of four L-amino acids alanine, leucine, isoleucine, and valine have been investigated using density functional theory (DFT) and the generalized gradient approximation. Within the crystals, it is found that the constituent molecules adopt zwitterionic configurations, in agreement with experimental work. Lattice constants are found to be in good agreement with experimentally determined values, although certain discrepancies do exist due to the description of van der Waals interactions. We find that these materials possess wide DFT band gaps in the region of 5 eV, with electrons highly localized to the constituent molecules. It is found that the main mechanisms behind crystal formation are dipolar interactions and hydrogen bonding of a primarily electrostatic character, in agreement with current biochemical understanding of these systems. The electronic structure suggests that the amine and carboxy functional groups are dominant in determining band structure.

  14. Electronic structure and optical properties of metal doped tetraphenylporphyrins

    Science.gov (United States)

    Shah, Esha V.; Roy, Debesh R.

    2018-05-01

    A density functional scrutiny on the structure, electronic and optical properties of metal doped tetraphenylporphyrins MTPP (M=Fe, Co, Ni) is performed. The structural stability of the molecules is evaluated based on the electronic parameters like HOMO-LUMO gap (HLG), chemical hardness (η) and binding energy of the central metal atom to the molecular frame etc. The computed UltraViolet-Visible (UV-Vis) optical absorption spectra for all the compounds are also compared. The molecular structures reported are the lowest energy configurations. The entire calculations are carried out with a widely reliable functional, viz. B3LYP with a popular basis set which includes a scaler relativistic effect, viz. LANL2DZ.

  15. Structural and electronic properties of carbon nanotubes under hydrostatic pressures

    International Nuclear Information System (INIS)

    Zhang Ying; Cao Juexian; Yang Wei

    2008-01-01

    We studied the structural and electronic properties of carbon nanotubes under hydrostatic pressures based on molecular dynamics simulations and first principles band structure calculations. It is found that carbon nanotubes experience a hard-to-soft transition as external pressure increases. The bulk modulus of soft phase is two orders of magnitude smaller than that of hard phase. The band structure calculations show that band gap of (10, 0) nanotube increases with the increase of pressure at low pressures. Above a critical pressure (5.70GPa), band gap of (10, 0) nanotube drops rapidly and becomes zero at 6.62GPa. Moreover, the calculated charge density shows that a large pressure can induce an sp 2 -to-sp 3 bonding transition, which is confirmed by recent experiments on deformed carbon nanotubes

  16. Modulating the physicochemical and structural properties of gold-functionalized protein nanotubes through thiol surface modification.

    Science.gov (United States)

    Carreño-Fuentes, Liliana; Plascencia-Villa, Germán; Palomares, Laura A; Moya, Sergio E; Ramírez, Octavio T

    2014-12-16

    Biomolecules are advantageous scaffolds for the synthesis and ordering of metallic nanoparticles. Rotavirus VP6 nanotubes possess intrinsic affinity to metal ions, a property that has been exploited to synthesize gold nanoparticles over them. The resulting nanobiomaterials have unique properties useful for novel applications. However, the formed nanobiomaterials lack of colloidal stability and flocculate, limiting their functionality. Here we demonstrate that it is possible to synthesize thiol-protected gold nanoparticles over VP6 nanotubes, which resulted in soluble nanobiomaterials. With this strategy, it was possible to modulate the size, colloidal stability, and surface plasmon resonance of the synthesized nanoparticles by controlling the content of the thiolated ligands. Two types of water-soluble ligands were tested, a small linear ligand, sodium 3-mercapto-1-propanesulfonate (MPS), and a bulky ligand, 5-mercaptopentyl β-D-glucopyranoside (GlcC5SH). The synthesized nanobiomaterials had a higher stability in suspension, as determined by Z-potential measurements. To the extent of our knowledge, this is the first time that a rational strategy is developed to modulate the particular properties of metal nanoparticles in situ synthesized over a protein bioscaffold through thiol coating, achieving a high spatial and structural organization of nanoparticles in a single integrative hybrid structure.

  17. Structural and optical properties of ZnO rods hydrothermally formed on polyethersulfone substrates

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Chang Mi; Jang, Jin Tak; Kim, Chang Yong; Ryu, Hyuk Hyun [Inje University, Gimhae (Korea, Republic of); Lee, Won Jae [Dong-Eui University, Busan (Korea, Republic of); Chang, Ji Ho [Korea Maritime University, Busan (Korea, Republic of); Son, Chang Sik [Silla University, Busan (Korea, Republic of); Choi, Hee Lack [Pukyong National University, Busan (Korea, Republic of)

    2012-06-15

    Various unique ZnO morphologies, such as cigar-like and belt-like structures and microrod and nanorod structures, were formed on flexible polyethersulfone (PES) substrates by using a low temperature hydrothermal route. The structural properties of ZnO depended highly on the precursor concentration. The effect of a thin ZnO seed layer deposited the on PES substrate by using atomic layer deposition on the structural and the optical properties of ZnO hydrothermally grown on the ZnO seed layer/PES substrates was studied. Field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), and photoluminescence (PL) measurements were employed to analyze the characteristics of hydrothermally-grown ZnO. The diameter of the ZnO nanorods grown on the ZnO seed layer/PES substrates increased with increasing precursor concentration from 0.025 to 0.125 M due to the Ostwald ripening process. ZnO hydrothermally-grown on the ZnO seed layer/PES substrates at a low precursor concentration showed better structural properties than ZnO formed without a seed layer. Well-formed ZnO nanorods deposited on the ZnO seed layer/PES substrates showed two PL peaks, one in the ultraviolet and the other in the visible region, whereas horizontally positioned ZnO formed on the PES substrate in the absence of a seed layer emitted only one broad PL peak in the violet region. The ZnO grown on PES substrates in this work can be used as high-quality transparent electrodes for solar cells fabricated on flexible substrates.

  18. Structural and optical properties of ZnO rods hydrothermally formed on polyethersulfone substrates

    International Nuclear Information System (INIS)

    Shin, Chang Mi; Jang, Jin Tak; Kim, Chang Yong; Ryu, Hyuk Hyun; Lee, Won Jae; Chang, Ji Ho; Son, Chang Sik; Choi, Hee Lack

    2012-01-01

    Various unique ZnO morphologies, such as cigar-like and belt-like structures and microrod and nanorod structures, were formed on flexible polyethersulfone (PES) substrates by using a low temperature hydrothermal route. The structural properties of ZnO depended highly on the precursor concentration. The effect of a thin ZnO seed layer deposited the on PES substrate by using atomic layer deposition on the structural and the optical properties of ZnO hydrothermally grown on the ZnO seed layer/PES substrates was studied. Field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), and photoluminescence (PL) measurements were employed to analyze the characteristics of hydrothermally-grown ZnO. The diameter of the ZnO nanorods grown on the ZnO seed layer/PES substrates increased with increasing precursor concentration from 0.025 to 0.125 M due to the Ostwald ripening process. ZnO hydrothermally-grown on the ZnO seed layer/PES substrates at a low precursor concentration showed better structural properties than ZnO formed without a seed layer. Well-formed ZnO nanorods deposited on the ZnO seed layer/PES substrates showed two PL peaks, one in the ultraviolet and the other in the visible region, whereas horizontally positioned ZnO formed on the PES substrate in the absence of a seed layer emitted only one broad PL peak in the violet region. The ZnO grown on PES substrates in this work can be used as high-quality transparent electrodes for solar cells fabricated on flexible substrates.

  19. Crystal structures and second-order NLO properties of borogermanates

    International Nuclear Information System (INIS)

    Zhang, Jian-Han; Kong, Fang; Xu, Xiang; Mao, Jiang-Gao

    2012-01-01

    Borogermanates are a class of very important compounds in materials chemistry. In this paper, the syntheses, structures, and properties of metal borogermanates are reviewed. Organically templated borogermanates with zeolite-like open-frameworks show potential applications as microporous materials. Many compounds in alkali or alkaline-earth borogermanate systems are structurally acentric or polar, some of which exhibit excellent Second Harmonic Generation (SHG) coefficients, wide transparency regions, and high optical-damage thresholds as well as excellent thermal stability. Most of the lanthanide borogermanates are structurally centrosymmetric and not SHG active; however, they are able to emit strong luminescence in visible or near-IR region. In the B-rich compounds, BO 3 and BO 4 groups can be polymerized into a variety of discrete polynuclear anionic cluster units or extended architectures via B–O–B bridges; whereas in the Ge-rich compounds, GeO 4 and GeO 6 polyhedra can also be polymerized. The combinations of borate and germinate afforded rich structural and topological types. - Graphical abstract: Borogermanates are a class of very important compounds in materials chemistry. Both BO x (x=3, 4) and GeO y (y=4, 6) polyhedra can be polymerized into a variety of discrete polynuclear anionic cluster units or extended architectures. The combinations of borate and germanate groups in the same oxide framework not only give rise to a rich structural chemistry, but also afford many polar compounds with good SHG properties. Highlights: ► Borogermanates are a class of new materials. ► They feature to be the combination of B and Ge atoms into the same oxide framework. ► They can form a large number of novel 2D and 3D framework structures. ► Some of them are acentric or polar with moderate strong SHG responses.

  20. Structural phase transition and electronic properties in samarium chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Panwar, Y. S., E-mail: yspanwar2011@gmail.com [Department of Physics, Govt. New Science College Dewas-455001 (India); Aynyas, Mahendra [Department of Physics, C.S.A. Govt. P.G. College, Sehore, 466001 (India); Pataiya, J.; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

    2016-05-06

    The electronic structure and high pressure properties of samarium monochalcogenides SmS, SmSe and SmTe have been reported by using tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA). The total energy as a function of volume is evaluated. It is found that these monochalcogenides are stable in NaCl-type structure under ambient pressure. We predict a structural phase transition from NaCl-type (B{sub 1}-phase) structure to CsCl-type (B{sub 2}-type) structure for these compounds. Phase transition pressures were found to be 1.7, 4.4 and 6.6 GPa, for SmS, SmSe and SmTe respectively. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed that these compounds exhibit metallic character. The calculated values of equilibrium lattice parameter and phase transition pressure are in general good agreement with available data.

  1. Structure-topology-property correlations of sodium phosphosilicate glasses.

    Science.gov (United States)

    Hermansen, Christian; Guo, Xiaoju; Youngman, Randall E; Mauro, John C; Smedskjaer, Morten M; Yue, Yuanzheng

    2015-08-14

    In this work, we investigate the correlations among structure, topology, and properties in a series of sodium phosphosilicate glasses with [SiO2]/[SiO2 + P2O5] ranging from 0 to 1. The network structure is characterized by (29)Si and (31)P magic-angle spinning nuclear magnetic resonance and Raman spectroscopy. The results show the formation of six-fold coordinated silicon species in phosphorous-rich glasses. Based on the structural data, we propose a formation mechanism of the six-fold coordinated silicon, which is used to develop a quantitative structural model for predicting the speciation of the network forming units as a function of chemical composition. The structural model is then used to establish a temperature-dependent constraint description of phosphosilicate glass topology that enables prediction of glass transition temperature, liquid fragility, and indentation hardness. The topological constraint model provides insight into structural origin of the mixed network former effect in phosphosilicate glasses.

  2. Improvement in photoconductor film properties by changing dielectric layer structures

    International Nuclear Information System (INIS)

    Kim, S; Oh, K; Lee, Y; Jung, J; Cho, G; Jang, G; Cha, B; Nam, S; Park, J

    2011-01-01

    In recent times, digital X-ray detectors have been actively applied to the medical field; for example, digital radiography offers the potential of improved image quality and provides opportunities for advances in medical image management, computer-aided diagnosis and teleradiology. In this study, two candidate materials (HgI 2 and PbI 2 ) have been employed to study the influence of the dielectric structure on the performance of fabricated X-ray photoconducting films. Parylene C with high permittivity was deposited as a dielectric layer using a parylene deposition system (PDS 2060). The structural and morphological properties of the samples were evaluated field emission scanning electron microscopy and X-ray diffraction. Further, to investigate improvements in the electrical characteristics, a dark current in the dark room and sensitivity to X-ray exposure in the energy range of general radiography diagnosis were measured across the range of the operating voltage. The electric signals varied with the dielectric layer structure of the X-ray films. The PbI 2 film with a bottom dielectric layer showed optimized electric properties. On the other hand, in the case of HgI 2 , the film with a top dielectric layer showed superior electric characteristics. Further, although the sensitivity of the film decreased, the total electrical efficiency of the film improved as a result of the decrease in dark current. When a dielectric layer is deposited on a photoconductor, the properties of the photoconductor, such as hole-electron mobility, should be considered to improve the image quality in digital medical imaging application. In this study, we have thus demonstrated that the use of dielectric layer structures improves the performance of photoconductors.

  3. Formation of a unique cluster of G-quadruplex structures in the HIV-1 Nef coding region: implications for antiviral activity.

    Directory of Open Access Journals (Sweden)

    Rosalba Perrone

    Full Text Available G-quadruplexes are tetraplex structures of nucleic acids that can form in G-rich sequences. Their presence and functional role have been established in telomeres, oncogene promoters and coding regions of the human chromosome. In particular, they have been proposed to be directly involved in gene regulation at the level of transcription. Because the HIV-1 Nef protein is a fundamental factor for efficient viral replication, infectivity and pathogenesis in vitro and in vivo, we investigated G-quadruplex formation in the HIV-1 nef gene to assess the potential for viral inhibition through G-quadruplex stabilization. A comprehensive computational analysis of the nef coding region of available strains showed the presence of three conserved sequences that were uniquely clustered. Biophysical testing proved that G-quadruplex conformations were efficiently stabilized or induced by G-quadruplex ligands in all three sequences. Upon incubation with a G-quadruplex ligand, Nef expression was reduced in a reporter gene assay and Nef-dependent enhancement of HIV-1 infectivity was significantly repressed in an antiviral assay. These data constitute the first evidence of the possibility to regulate HIV-1 gene expression and infectivity through G-quadruplex targeting and therefore open a new avenue for viral treatment.

  4. Modelling structure and properties of amorphous silicon boron nitride ceramics

    Directory of Open Access Journals (Sweden)

    Johann Christian Schön

    2011-06-01

    Full Text Available Silicon boron nitride is the parent compound of a new class of high-temperature stable amorphous ceramics constituted of silicon, boron, nitrogen, and carbon, featuring a set of properties that is without precedent, and represents a prototypical random network based on chemical bonds of predominantly covalent character. In contrast to many other amorphous materials of technological interest, a-Si3B3N7 is not produced via glass formation, i.e. by quenching from a melt, the reason being that the binary components, BN and Si3N4, melt incongruently under standard conditions. Neither has it been possible to employ sintering of μm-size powders consisting of binary nitrides BN and Si3N4. Instead, one employs the so-called sol-gel route starting from single component precursors such as TADB ((SiCl3NH(BCl2. In order to determine the atomic structure of this material, it has proven necessary to simulate the actual synthesis route.Many of the exciting properties of these ceramics are closely connected to the details of their amorphous structure. To clarify this structure, it is necessary to employ not only experimental probes on many length scales (X-ray, neutron- and electron scattering; complex NMR experiments; IR- and Raman scattering, but also theoretical approaches. These address the actual synthesis route to a-Si3B3N7, the structural properties, the elastic and vibrational properties, aging and coarsening behaviour, thermal conductivity and the metastable phase diagram both for a-Si3B3N7 and possible silicon boron nitride phases with compositions different from Si3N4: BN = 1 : 3. Here, we present a short comprehensive overview over the insights gained using molecular dynamics and Monte Carlo simulations to explore the energy landscape of a-Si3B3N7, model the actual synthesis route and compute static and transport properties of a-Si3BN7.

  5. Bismuth Silver Oxysulfide for Photoconversion Applications: Structural and Optoelectronic Properties

    KAUST Repository

    Baqais, Amal Ali Abdulallh; Curutchet, Antton; Ziani, Ahmed; Ait Ahsaine, Hassan; Sautet, Philippe; Takanabe, Kazuhiro; Le Bahers, Tangui

    2017-01-01

    Single-phase bismuth silver oxysulfide, BiAgOS, was prepared by a hydrothermal method. Its structural, morphological and optoelectronic properties were investigated and compared with bismuth copper oxysulfide (BiCuOS). Rietveld refinement of the powder X-ray diffraction (XRD) measurements revealed that the BiAgOS and BiCuOS crystals have the same structure as ZrSiCuAs: the tetragonal space group P4/nmm. X-ray photoelectron spectroscopy (XPS) analyses confirmed that the BiAgOS has a high purity, in contrast with BiCuOS, which tends to have Cu vacancies. The Ag has a monovalent oxidation state, whereas Cu is present in the oxidation states of +1 and +2 in the BiCuOS system. Combined with experimental measurements, density functional theory calculations employing the range-separated hybrid HSE06 exchange-correlation functional with spin-orbit coupling quantitatively elucidated photophysical properties such as ab-sorption coefficients, effective masses and dielectric constants. BiCuOS and BiAgOS were found to have indirect bandgaps of 1.1 and 1.5 eV, respectively. Both possess high dielectric constants and low electron and hole effective masses. Therefore, these materials are expected to have high exciton dissociation capabilities and excellent carrier diffusion properties. This study reveals that BiAgOS is a promising candidate for photoconversion applications.

  6. Bismuth Silver Oxysulfide for Photoconversion Applications: Structural and Optoelectronic Properties

    KAUST Repository

    Baqais, Amal Ali Abdulallh

    2017-09-18

    Single-phase bismuth silver oxysulfide, BiAgOS, was prepared by a hydrothermal method. Its structural, morphological and optoelectronic properties were investigated and compared with bismuth copper oxysulfide (BiCuOS). Rietveld refinement of the powder X-ray diffraction (XRD) measurements revealed that the BiAgOS and BiCuOS crystals have the same structure as ZrSiCuAs: the tetragonal space group P4/nmm. X-ray photoelectron spectroscopy (XPS) analyses confirmed that the BiAgOS has a high purity, in contrast with BiCuOS, which tends to have Cu vacancies. The Ag has a monovalent oxidation state, whereas Cu is present in the oxidation states of +1 and +2 in the BiCuOS system. Combined with experimental measurements, density functional theory calculations employing the range-separated hybrid HSE06 exchange-correlation functional with spin-orbit coupling quantitatively elucidated photophysical properties such as ab-sorption coefficients, effective masses and dielectric constants. BiCuOS and BiAgOS were found to have indirect bandgaps of 1.1 and 1.5 eV, respectively. Both possess high dielectric constants and low electron and hole effective masses. Therefore, these materials are expected to have high exciton dissociation capabilities and excellent carrier diffusion properties. This study reveals that BiAgOS is a promising candidate for photoconversion applications.

  7. Structural and magnetic properties of hcp and fcc Ni nanoparticles

    International Nuclear Information System (INIS)

    Gong, J.; Wang, L.L.; Liu, Y.; Yang, J.H.; Zong, Z.G.

    2008-01-01

    The face-centered-cubic (fcc) and hexagonal-close-packed (hcp) Ni nanoparticles were synthesized with citrate by sol-gel method and heat-treating technique. The structure, morphology and magnetic properties of the samples were characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), and vibrating sample magnetometer (VSM). Our XRD and TEM results suggested that hcp Ni nanoparticles were successfully synthesized when the heating temperature reaches 300 deg. C. With a further increase in temperature to 400 deg. C, a temperature-induced phase transformation of hcp to fcc was observed. Moreover, the VSM results demonstrated the existence of ferromagnetic behavior in the synthesized fcc and hcp Ni nanoparticles. Nevertheless, the magnetic measurement suggested that the magnetic properties in hcp nanoparticles is probably the sum of two contributions: superparamagnetic and ferromagnetic one. The unsaturated magnetization is much smaller than 47.6 emu/g for the fcc nanoparticles obtained at 400 deg. C and 55 emu/g for the bulk material. It was also found that changes of the stress, grain size and crystal structure during heat-treating have significant influences on the magnetic properties of the Ni nanoparticles

  8. Polycaprolactone/starch composite: Fabrication, structure, properties, and applications.

    Science.gov (United States)

    Ali Akbari Ghavimi, Soheila; Ebrahimzadeh, Mohammad H; Solati-Hashjin, Mehran; Abu Osman, Noor Azuan

    2015-07-01

    Interests in the use of biodegradable polymers as biomaterials have grown. Among the different polymeric composites currently available, the blend of starch and polycaprolactone (PCL) has received the most attention since the 1980s. Novamont is the first company that manufactured a PCL/starch (SPCL) composite under the trademark Mater-Bi®. The properties of PCL (a synthetic, hydrophobic, flexible, expensive polymer with a low degradation rate) and starch (a natural, hydrophilic, stiff, abundant polymer with a high degradation rate) blends are interesting because of the composite components have completely different structures and characteristics. PCL can adjust humidity sensitivity of starch as a biomaterial; while starch can enhance the low biodegradation rate of PCL. Thus, by appropriate blending, SPCL can overcome important limitations of both PCL and starch components and promote controllable behavior in terms of mechanical properties and degradation which make it suitable for many biomedical applications. This article reviewed the different fabrication and modification methods of the SPCL composite; different properties such as structural, physical, and chemical as well as degradation behavior; and different applications as biomaterials. © 2014 Wiley Periodicals, Inc.

  9. Properties, structure and machnining capabilities sintered corundum abrasives

    Directory of Open Access Journals (Sweden)

    Cz.J. Niżankowski

    2010-07-01

    Full Text Available The diversity of sintered corundum abrasives used in both bonded and in the embankment of abrasive tools currently poses substantialproblems for their choice of technology to specific tasks. Therefore performed a comparative study of ownership structures and capacitiesof elected representatives machnining sintered corundum abrasives of different generations, and this is normal sintered alumina,submicrocrystalline alumina sintered and nanocrystalline alumina sintered. Were studied some properties of a set of abrasive particles,physicochemical properties and structural and mechanical and technological properties. The studies used the method of microscopicmeasurement to determine the shape of abrasive particles, the pycnometer to determine the density of abrasive, a spectrometer todetermine the chemical composition of the magnetic analyzer for determining the magnetic fraction, scanning electron microscope toanalysis of abrasive grains and a special position to designate the machining capacity abrasive grains. The results showed a significantincrease in machining capacity sintered corundum abrasives with increasing degree of fragmentation of the crystallites sintered corundum abrasives and distinctive bands in the emerging microchip. The originality of the development provides a comparative summary ofproperties of sintered corundum abrasives of different generations and functions obtained by the author making the change in value indexof machininhcapacity grit from cutting speeds for different generations of sintered corundum.

  10. Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: non-uniqueness of density-derived molecular structure.

    Science.gov (United States)

    Ludeña, E V; Echevarría, L; Lopez, X; Ugalde, J M

    2012-02-28

    We consider the calculation of non-Born-Oppenheimer, nBO, one-particle densities for both electrons and nuclei. We show that the nBO one-particle densities evaluated in terms of translationally invariant coordinates are independent of the wavefunction describing the motion of center of mass of the whole system. We show that they depend, however, on an arbitrary reference point from which the positions of the vectors labeling the particles are determined. We examine the effect that this arbitrary choice has on the topology of the one-particle density by selecting the Hooke-Calogero model of a three-body system for which expressions for the one-particle densities can be readily obtained in analytic form. We extend this analysis to the one-particle densities obtained from full Coulomb interaction wavefunctions for three-body systems. We conclude, in view of the fact that there is a close link between the choice of the reference point and the topology of one-particle densities that the molecular structure inferred from the topology of these densities is not unique. We analyze the behavior of one-particle densities for the Hooke-Calogero Born-Oppenheimer, BO, wavefunction and show that topological transitions are also present in this case for a particular mass value of the light particles even though in the BO regime the nuclear masses are infinite. In this vein, we argue that the change in topology caused by variation of the mass ratio between light and heavy particles does not constitute a true indication in the nBO regime of the emergence of molecular structure.

  11. Influence of isothermal thermomechanical treatment on structure and properties of structural steels

    International Nuclear Information System (INIS)

    Smirnov, M.A.; Kaletin, A.Yu.; Schastlivthev, V.M.; Kaletina, Yu.V.

    1997-01-01

    A study is made into the structure and mechanical properties of steel 35KhGSA and 37KhN3A after isothermal hardening resulting in bainitic structure formation as well as after low-temperature thermomechanical treatment (LTTMT) combining the plastic deformation at the temperature of bainitic transformation and subsequent isothermal hardening. It is shown that LTTMT permits and essential enhancement of strength properties in steel 35KhGSA, high plasticity and impact strength being reserved. This is associated with bainitic structure refinement. In steel 37KhN3A the process of carbide formation takes place along with bainitic transformation, and LTTMT results in lesser strengthening. LTTMT is fount to not practically affect the tendency of structural steels to bainitic brittleness. This treatment promotes some shift of brittleness manifestation to lower temperatures

  12. Structural properties of pepsin-solubilized collagen acylated by lauroyl chloride along with succinic anhydride

    International Nuclear Information System (INIS)

    Li, Conghu; Tian, Zhenhua; Liu, Wentao; Li, Guoying

    2015-01-01

    The structural properties of pepsin-solubilized calf skin collagen acylated by lauroyl chloride along with succinic anhydride were investigated in this paper. Compared with native collagen, acylated collagen retained the unique triple helix conformation, as determined by amino acid analysis, circular dichroism and X-ray diffraction. Meanwhile, the thermostability of acylated collagen using thermogravimetric measurements was enhanced as the residual weight increased by 5%. With the temperature increased from 25 to 115 °C, the secondary structure of native and acylated collagens using Fourier transform infrared spectroscopy measurements was destroyed since the intensity of the major amide bands decreased and the positions of the major amide bands shifted to lower wavenumber, respectively. Meanwhile, two-dimensional correlation spectroscopy revealed that the most sensitive bands for acylated and native collagens were amide I and II bands, respectively. Additionally, the corresponding order of the groups between native and acylated collagens was different and the correlation degree for acylated collagen was weaker than that of native collagen, suggesting that temperature played a small influence on the conformation of acylated collagen, which might be concluded that the hydrophobic interaction improved the thermostability of collagen. - Highlights: • Acylated collagen retained the unique triple helix conformation. • Acylated collagen had stronger thermostability than native collagen. • Amide I was the most sensitive band to the temperature for acylated collagen. • Amide II was the most sensitive band to the temperature for native collagen. • Auto-peak at 1680 cm −1 for acylated collagen disappeared at higher temperature

  13. Structural characterization and mechanical properties of polypropylene reinforced natural fibers

    Science.gov (United States)

    Karim, M. A. A.; Zaman, I.; Rozlan, S. A. M.; Berhanuddin, N. I. C.; Manshoor, B.; Mustapha, M. S.; Khalid, A.; Chan, S. W.

    2017-10-01

    Recently the development of natural fiber composite instead of synthetics fiber has lead to eco-friendly product manufacturing to meet various applications in the field of automotive, construction and manufacturing. The use of natural fibers offer an alternative to the reinforcing fibers because of their good mechanical properties, low density, renewability, and biodegradability. In this present research, the effects of maleic anhydride polypropylene (MAPP) on the mechanical properties and material characterization behaviour of kenaf fiber and coir fiber reinforced polypropylene were investigated. Different fractions of composites with 10wt%, 20wt% and 30wt% fiber content were prepared by using brabender mixer at 190°C. The 3wt% MAPP was added during the mixing. The composites were subsequently molded with injection molding to prepare the test specimens. The mechanical properties of the samples were investigated according to ISO 527 to determine the tensile strength and modulus. These results were also confirmed by the SEM machine observations of fracture surface of composites and FTIR analysis of the chemical structure. As the results, the presence of MAPP helps increasing the mechanical properties of both fibers and 30wt% kenaf fiber with 3wt% MAPP gives the best result compare to others.

  14. Structure and properties of tempo-oxidized cotton fibers

    Directory of Open Access Journals (Sweden)

    Milanovic Jovana

    2012-01-01

    Full Text Available In this paper, the influence of the catalytic oxidation using water soluble and stable nitroxyl radical 2,2´,6,6´-tetramethylpiperidine-1-oxyl (TEMPO on structure and properties of cotton fibers was studied. In particular, the selective TEMPO-mediated oxidation has become very interesting way for introduction of functional groups into cellulose fibers with the aim to obtain oxycellulose fibers with specific properties. Unmodified and modified fibers were characterized in terms of weight loss values, introduced functional groups and crystallinity index. Also, oxidized fibers were characterized in terms of the sorption, morphological, and physico-mechanical properties. The TEMPO-oxidized cotton fibers show a minimum increase of fineness (from 1.32 to 1.28 dtex and increase of crystallinity index (up to 91.9%, while the tensile strength of fibers decreases (up to 10.82 cN/tex. By the TEMPO-mediated oxidation of cotton fibers significant amount of carboxyl groups (up to 0.795 mmol/g cell can be introduced into cellulose fibers. Introduced hydrophilic carboxyl groups increases the sorption properties of oxidized fibers, that can be used directly or for further chemical modification.

  15. Size dependences of crystal structure and magnetic properties of DyMnO{sub 3} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Tajiri, T., E-mail: tajiri@fukuoka-u.ac.jp [Faculty of Science, Fukuoka University, Fukuoka 814-0180 (Japan); Terashita, N.; Hamamoto, K.; Deguchi, H.; Mito, M. [Faculty of Engineering, Kyushu Institute of Technology, Kitakyushu 804-8550 (Japan); Morimoto, Y.; Konishi, K. [Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Kohno, A. [Faculty of Science, Fukuoka University, Fukuoka 814-0180 (Japan)

    2013-11-15

    We synthesized DyMnO{sub 3} nanoparticles with particle sizes of about 7.5–15.3 nm in the pores of mesoporous silica and investigated their crystal structure and magnetic properties. As the particle size decreased, the lattice constants of the DyMnO{sub 3} nanoparticles deviated from those of the bulk crystal, and the Jahn–Teller distortion in the nanoparticle systems decreased. In addition, the estimated lattice strain increased with decreasing particle size. The DyMnO{sub 3} nanoparticles showed superparamagnetic behavior. The blocking temperature and the coercive field increased with decreasing particle size, and this behavior was contrary to the usual magnetic size effects. It is deduced that these unique size dependences of the magnetic properties for the DyMnO{sub 3} nanoparticles were derived from the changes in lattice constants and lattice strain. The anisotropic lattice deformation in the crystal structure of the nanoparticles induces an enhancement of the magnetic anisotropy, which results in the increase in blocking temperature and coercive field with decreasing particle size. - Highlights: • We successfully synthesized DyMnO{sub 3} nanoparticles with particle size of 7.5–15.3 nm. • Lattice strain increases with decreasing particle size. • Lattice constants exhibit anisotropic change with decreasing particle size. • Distortion of crystal structure leads to enhancement of magnetic anisotropy constant. • Blocking temperature and coercive field increases with decreasing particle size.

  16. Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic Solids.

    Science.gov (United States)

    Appalakondaiah, S; Vaitheeswaran, G; Lebègue, S

    2015-06-18

    We have performed ab initio calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods were accounted in DFT, namely the Tkatchenko-Scheffler method (with and without self-consistent screening), Grimme's methods (D2, D3(BJ)), and the vdW-DF method. Our results reveal that dispersion correction methods are essential in understanding these complex structures with van der Waals interactions and hydrogen bonding. The calculated ground state volumes and bulk moduli show that the performance of each method is not unique, and therefore a careful examination is mandatory for interpreting theoretical predictions. This work also emphasizes the importance of quasiparticle calculations in predicting the band gap, which is obtained here with the GW approximation. We find that the obtained band gaps are ranging from 4 to 7 eV for the different compounds, indicating their insulating nature. In addition, we show the essential role of quasiparticle band structure calculations to correlate the gap with the energetic properties.

  17. Surface structure and properties of functionalized nanodiamonds: a first-principles study

    International Nuclear Information System (INIS)

    Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C

    2011-01-01

    The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size (∼5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

  18. Surface structure and properties of functionalized nanodiamonds: a first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C, E-mail: albertto@pitt.edu [Department of Mechanical Engineering and Materials Science and Department of Civil and Environmental Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States)

    2011-02-11

    The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size ({approx}5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

  19. Crystal structure and thermal property of polyethylene glycol octadecyl ether

    International Nuclear Information System (INIS)

    Meng, Jie-yun; Tang, Xiao-fen; Li, Wei; Shi, Hai-feng; Zhang, Xing-xiang

    2013-01-01

    Highlights: ► The crystal structure of C18En for n ≥ 20 is a monoclinic system. ► Polyethylene glycol octadecyl ether crystallizes perfectly. ► The number of repeat units has significant effect on the melting, crystallizing temperature and enthalpy. ► The thermal stable temperature increases rapidly with increasing the number of repeat unit. - Abstract: The crystal structure, phase change property and thermal stable temperature (T d ) of polyethylene glycol octadecyl ether [HO(CH 2 CH 2 O) n C 18 H 37 , C18En] with various numbers of repeat units (n = 2, 10, 20 and 100) as phase change materials (PCMs) were investigated using temperature variable Fourier transformed infrared spectroscopy (FTIR), wide-angle X-ray diffraction (XRD), differential scanning calorimetry (DSC), and thermogravimetric analysis (TG). C18En crystallizes perfectly at 0 °C; and the crystal structure for n ≥ 20 is a monoclinic system. The number of repeat units has great effect on the phase change properties of C18En. The thermal stable temperature increases rapidly with increasing the number of repeat units. They approach to that of PEG-2000 as the number of repeat units is more than 10. T d increases rapidly with increasing the number of repeat units. C18En are a series of promising polymeric PCMs

  20. Modeling process-structure-property relationships for additive manufacturing

    Science.gov (United States)

    Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Yu, Cheng; Liu, Zeliang; Lian, Yanping; Wolff, Sarah; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

    2018-02-01

    This paper presents our latest work on comprehensive modeling of process-structure-property relationships for additive manufacturing (AM) materials, including using data-mining techniques to close the cycle of design-predict-optimize. To illustrate the processstructure relationship, the multi-scale multi-physics process modeling starts from the micro-scale to establish a mechanistic heat source model, to the meso-scale models of individual powder particle evolution, and finally to the macro-scale model to simulate the fabrication process of a complex product. To link structure and properties, a highefficiency mechanistic model, self-consistent clustering analyses, is developed to capture a variety of material response. The model incorporates factors such as voids, phase composition, inclusions, and grain structures, which are the differentiating features of AM metals. Furthermore, we propose data-mining as an effective solution for novel rapid design and optimization, which is motivated by the numerous influencing factors in the AM process. We believe this paper will provide a roadmap to advance AM fundamental understanding and guide the monitoring and advanced diagnostics of AM processing.

  1. Structural characterization and magnetic properties of steels subjected to fatigue

    International Nuclear Information System (INIS)

    Lo, C.C.H.; Tang, F.; Biner, S.B.; Jiles, D.C.

    2000-01-01

    Studies have been made on the effects of residual stress and microstructure on the variations of magnetic properties of steels during fatigue. Strain-controlled fatigue tests have been conducted on 0.2wt% C steel samples which were (1) cold-worked (2) cold-worked and annealed at 500 deg. C to relieve residual stress, and (3) annealed at 905 deg. C to produce a ferrite/pearlite structure. The changes of surface microstructure were studied by SEM replica technique. The dislocation structures of samples fatigued for different numbers of cycle were studied by TEM. In the initial stage of fatigue coercivity was found to behave differently for samples which have different residual stress levels. In the intermediate stage the magnetic hysteresis parameters became stable as the dislocation cell structure developed in the samples. In the final stage the magnetic parameters decreased dramatically. The decrease rate is related to the propagation rate of fatigue cracks observed in the SEM study, which was found to be dependent on the sample microstructure. The present results indicate that the magnetic inspection technique is able to differentiate the residual stress effects from the fatigue damage induced by cyclic loading, and therefore it is possible to detect the onset of fatigue failure in steel components via measurements of the changes in magnetic properties.--This work was sponsored by the National Science Foundation, under grant number CMS-9532056

  2. Geometry, electronic structures and optical properties of phosphorus nanotubes

    International Nuclear Information System (INIS)

    Hu, Tao; Hashmi, Arqum; Hong, Jisang

    2015-01-01

    Using a first principles approach, we investigated the geometry, electronic structures, and optical properties of phosphorus nanotubes (PNTs). Two possible 1D configurations, the so-called α-PNTs and β-PNTs, are proposed, which are structurally related to blue and black phosphorus monolayers, respectively. Hereby, we predict that both armchair and zigzag geometries can be synthesized in α-PNTs, but the zigzag form of β-PNT is highly unfavorable because of large strain and conformation energies. The band gap of α-PNTs is expected to be ∼2.67 eV, and this is insensitive to the chirality when the tube’s inner diameter is larger than 1.3 nm, while the armchair β-PNTs have a much smaller band gap. Interestingly, we find nearly flat band structures in the zigzag α-PNT system. This may indicate that an excited particle–hole pair has a huge effective mass. We also find asymmetric optical properties with respect to the polarization direction. The armchair α-PNT for parallel polarization shows a large refractive index of 2.6 near the ultraviolet wavelength, and also we find that the refractive index can be even smaller than 1 in certain frequency ranges. The zigzag tubes show very weak reflectivity for parallel polarization, while the armchair tube displays high reflectivity. (paper)

  3. Structure-property relations in amorphous carbon for photovoltaics

    International Nuclear Information System (INIS)

    Risplendi, Francesca; Cicero, Giancarlo; Bernardi, Marco; Grossman, Jeffrey C.

    2014-01-01

    Carbon is emerging as a material with great potential for photovoltaics (PV). However, the amorphous form (a-C) has not been studied in detail as a PV material, even though it holds similarities with amorphous Silicon (a-Si) that is widely employed in efficient solar cells. In this work, we correlate the structure, bonding, stoichiometry, and hydrogen content of a-C with properties linked to PV performance such as the electronic structure and optical absorption. We employ first-principles molecular dynamics and density functional theory calculations to generate and analyze a set of a-C structures with a range of densities and hydrogen concentrations. We demonstrate that optical and electronic properties of interest in PV can be widely tuned by varying the density and hydrogen content. For example, sunlight absorption in a-C films can significantly exceed that of a same thickness of a-Si for a range of densities and H contents in a-C. Our results highlight promising features of a-C as the active layer material of thin-film solar cells.

  4. About the optical properties of oxidized black silicon structures

    Science.gov (United States)

    Pincik, E.; Brunner, R.; Kobayashi, H.; Mikula, M.; Kučera, M.; Švec, P.; Greguš, J.; Vojtek, P.; Zábudlá, Z.; Imamura, K.; Zahoran, M.

    2017-02-01

    The paper deals with the optical and morphological properties of thermally oxidized black silicon (OBSi) nano-crystalline specimens produced by the surface structure chemical transfer method (SSCT). This method can produce a nano-crystalline Si black color layer on c-Si with a range of thickness of ∼50 nm to ∼300 nm by the contact of c-Si immersed in chemical solutions HF + H2O2 with a catalytic mesh. We present and discuss mainly the photoluminescence properties of both polished c-Si and OBSi structures, respectively. The similar photoluminescence (PL) behaviors recorded at liquid helium (6 K) and room temperatures on both polished crystalline Si and OBSi samples, respectively, indicate the similar origin of recorded luminescence light. As the positions of PL maxima of OBSi structures are mainly related to the size of Si nanocrystallites and SiO(x), we therefore suppose that the size of the dominant parts of the luminated OBSi nanostructure is pre-determined by the used polishing Si procedure, and/or the distribution function of the number of formed crystallites on their size is very similar. The blue shift of both PL spectra reaching almost value of 0.40 eV observed after the decrease of the sample temperature to 6 K we relate also with the change of the semiconductor band gap width.

  5. Electronic structure and magnetic properties of zigzag blue phosphorene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Tao; Hong, Jisang, E-mail: hongj@pknu.ac.kr [Department of Physics, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2015-08-07

    We investigated the electronic structure and magnetism of zigzag blue phosphorene nanoribbons (ZBPNRs) using first principles density functional theory calculations by changing the widths of ZBPNRs from 1.5 to 5 nm. In addition, the effect of H and O passivation was explored as well. The ZBPNRs displayed intra-edge antiferromagnetic ground state with a semiconducting band gap of ∼0.35 eV; and this was insensitive to the edge structure relaxation effect. However, the edge magnetism of ZBPNRs disappeared with H-passivation. Moreover, the band gap of H-passivated ZBPNRs was greatly enhanced because the calculated band gap was ∼1.77 eV, and this was almost the same as that of two-dimensional blue phosphorene layer. For O-passivated ZBPNRs, we also found an intra-edge antiferromagnetic state. Besides, both unpassivated and O-passivated ZBPNRs preserved almost the same band gap. We predict that the electronic band structure and magnetic properties can be controlled by means of passivation. Moreover, the edge magnetism can be also modulated by the strain. Nonetheless, the intrinsic physical properties are size independent. This feature can be an advantage for device applications because it may not be necessary to precisely control the width of the nanoribbon.

  6. Structure-property relations in amorphous carbon for photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Risplendi, Francesca; Cicero, Giancarlo [Dipartimento di Scienza Applicata e Tecnologia, Politecnico di Torino, 10129 Torino (Italy); Bernardi, Marco [Department of Physics, University of California, Berkeley, California 94720 (United States); Grossman, Jeffrey C., E-mail: jcg@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2014-07-28

    Carbon is emerging as a material with great potential for photovoltaics (PV). However, the amorphous form (a-C) has not been studied in detail as a PV material, even though it holds similarities with amorphous Silicon (a-Si) that is widely employed in efficient solar cells. In this work, we correlate the structure, bonding, stoichiometry, and hydrogen content of a-C with properties linked to PV performance such as the electronic structure and optical absorption. We employ first-principles molecular dynamics and density functional theory calculations to generate and analyze a set of a-C structures with a range of densities and hydrogen concentrations. We demonstrate that optical and electronic properties of interest in PV can be widely tuned by varying the density and hydrogen content. For example, sunlight absorption in a-C films can significantly exceed that of a same thickness of a-Si for a range of densities and H contents in a-C. Our results highlight promising features of a-C as the active layer material of thin-film solar cells.

  7. Microphase separated structure and surface properties of fluorinated polyurethane resin

    International Nuclear Information System (INIS)

    Sudaryanto; Nishino, T.; Hori, Y.; Nakamae, K.

    2000-01-01

    The effect of fluorination on microphase separation and surface properties of segmented polyurethane (PU) resin were investigated. A series of fluorinated polyurethane resin (FPU) was synthesized by reacting a fluorinated diol with aromatic diisocyanate. The microphase separated structure of FPU was studied by thermal analysis, and small angle X-ray scattering (SAXS) as well as wide angle X-ray diffraction (WAXD). The surface structure and properties were characterized by X-ray photoelectron spectroscopy (XPS) and dynamic contact angle measurement. The incorporation of fluorine into hard segment brings the FPU to have a higher hard domain cohesion and increase the phase separation, however localization of fluorine on the surface could not be observed. On the other hands, localization of fluorine on the surface could be achieved for soft segment fluorinated PU without any significant change in microphase separated structure. The result from this study give an important basic information for designing PU coating material with a low surface energy and strong adhesion as well as for development of release film on pressure sensitive adhesive tape. (author)

  8. FINEMET type alloy without Si: Structural and magnetic properties

    International Nuclear Information System (INIS)

    Muraca, D.; Cremaschi, V.; Moya, J.; Sirkin, H.

    2008-01-01

    Magnetic and structural properties of a Finemet type alloy (Fe 73.5 Ge 15.5 Nb 3 B 7 Cu 1 ) without Si and high Ge content were studied. Amorphous material was obtained by the melt spinning technique and was heat treated at different temperatures for 1 h under high vacuum to induce the nanocrystallization of the sample. The softest magnetic properties were obtained between 673 and 873 K. The role of Ge on the ferromagnetic paramagnetic transition of the as-quenched alloys and its influence on the crystallization process were studied using a calorimetric technique. Moessbauer spectroscopy was employed in the nanocrystallized alloy annealed at 823 K to obtain the composition of the nanocrystals and the amorphous phase fraction. Using this data and magnetic measurements of the as-quenched alloy, the magnetic contribution of nanocrystals to the alloy annealed at 823 K was estimated via a linear model

  9. Structural and elastic properties of InN nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Quddus, Ehtesham B.; Wilson, Alina; Liu, Jie; Cai, Zhihua; Veereddy, Deepak; Tao, Xinyong; Li, Xiaodong; Koley, Goutam [Department of Electrical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Webb, Richard A. [Department of Physics and Astronomy and USC Nanocenter, University of South Carolina, Columbia, SC 29208 (United States)

    2012-04-15

    Structural and elastic properties of InN nanowires (NWs) have been investigated. It was observed that the NWs bend spontaneously or upon meeting an obstacle in their growth path at angles that are multiples of 30 . Lithographically patterned trenches and barriers were found to influence the growth direction of the NWs, which depending on the angle of incidence, grew along the barrier or got deflected from it. Young's modulus of InN NWs, measured by three point bending method using a NW suspended across a trench, was found to be 266 GPa, which is in between the moduli of bulk and thin film InN. Overall, the InN NW properties were found to be very suitable for applications in nanoelectromechanical systems (NEMS) and sensors. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Microscopical Studies of Structural and Electronic Properties of Semiconductors

    CERN Multimedia

    2002-01-01

    The electronic and structural properties of point defects in semiconductors, e.g. radiation defects, impurities or passivating defects can excellently be studied by the hyperfine technique of Perturbed Angular Correlation (PAC). The serious limitation of this method, the small number of chemically different radioactive PAC probe atoms can be widely overcome by means of ISOLDE. Providing shortliving isotopes, which represent common dopants as well as suitable PAC probe atoms, the ISOLDE facility enables a much broader application of PAC to problems in semiconductor physics.\\\\ Using the probe atom $^{111m}$ Cd , the whole class of III-V compounds becomes accessible for PAC investigations. First successful experiments in GaAs, InP and GaP have been performed, concerning impurity complex formation and plasma induced defects. In Si and Ge, the electronic properties~-~especially their influence on acceptor-donor interaction~-~could be exemplarily st...

  11. Structural and optical properties of furfurylidenemalononitrile thin films

    Science.gov (United States)

    Ali, H. A. M.

    2013-03-01

    Thin films of furfurylidenemalononitrile (FMN) were deposited on different substrates at room temperature by thermal evaporation technique under a high vacuum. The structure of the powder was confirmed by Fourier transformation infrared (FTIR) technique. The unit cell dimensions were determined from X-ray diffraction (XRD) studies. The optical properties were investigated using spectrophotometric measurements of the transmittance and reflectance at normal incidence of light in the wavelength range from 200 to 2500 nm. The refractive index (n), the absorption index (k) and the absorption coefficient (α) were calculated. The analysis of the spectral behavior of the absorption coefficient in the absorption region revealed an indirect allowed transition. The refractive index dispersion was analyzed using the single oscillator model. Some dispersion parameters were estimated. Complex dielectric function and optical conductivity were determined. The influence of the irradiation with high-energy X-rays (6 MeV) on the studied properties was also investigated.

  12. Diffusive, Structural, Optical, and Electrical Properties of Defects in Semiconductors

    CERN Multimedia

    Wagner, F E

    2002-01-01

    Electronic properties of semiconductors are extremely sensitive to defects and impurities that have localized electronic states with energy levels in the band gap of the semiconductor. Spectroscopic techniques like photoluminescence (PL), deep level transient spectroscopy (DLTS), or Hall effect, that are able to detect and characterize band gap states do not reveal direct information about their microscopic origin. To overcome this chemical "blindness", the present approach is to use radioactive isotopes as a tracer. Moreover, the recoil energies involved in $\\beta$ and $\\gamma$-decays can be used to create intrinsic isolated point defects (interstitials, vacancies) in a controlled way. A microscopic insight into the structure and the thermodynamic properties of complexes formed by interacting defects can be gained by detecting the hyperfine interaction between the nuclear moments of radioactive dopants and the electromagnetic fields present at the site of the radioactive nucleus. The understanding and the co...

  13. Properties of 40N3M powder structural steel

    International Nuclear Information System (INIS)

    Moskvina, T.P.; Gulyaev, A.P.; Gulyaev, I.A.; Byakov, S.V.; Melent'ev, I.V.; Morgun, G.N.

    1984-01-01

    Effect of the fabrication technique of compact slabs made of the 40N3M powder structural steel on mechanical properties with determination of a cold brittleness threshold was studied. It is established that after a thermal treatment at a density close to 100% a powder steel is sufficiently close to steel, rolled of an ingot, but is second in reference to steel in its ductility and impact strength. Properties of powder steel obtained by the method of dynamic hot forming (DHF) and hot extrusion are practically equal, but the first method has definite advantages as it allows to obtain details with a definitive form. The above investigation permits to recommend an application of the 40N3M powder steel fabricated by the DHF methods. The optimum thermal treatment course is: quenching+high annealing

  14. Structural and electronic properties of GaAsBi

    International Nuclear Information System (INIS)

    Achour, H.; Louhibi, S.; Amrani, B.; Tebboune, A.; Sekkal, N.

    2008-05-01

    The structural and electronic properties of the GaAs 1-x Bi x ternary alloy are investigated by means of two first principles and full potential methods, the linear augmented plane waves (FPLAPW) method and a recent version of the full potential linear muffin-tin orbitals method (FPLMTO) which enables an accurate treatment of the interstitial regions. In particular, we have found that the maximal GaBi mole fraction x for which GaBixAs 1-x remains a semiconductor is probably around x = 0.5. The electronic properties of (GaAs) m /(GaBi) n quantum well superlattices (SLs) have also been calculated and it is found that such SLs are semiconductors when m is larger or equal to n. (author)

  15. Decoding Structural Properties of a Partially Unfolded Protein Substrate: En Route to Chaperone Binding

    Science.gov (United States)

    Nagpal, Suhani; Tiwari, Satyam; Mapa, Koyeli; Thukral, Lipi

    2015-01-01

    Many proteins comprising of complex topologies require molecular chaperones to achieve their unique three-dimensional folded structure. The E.coli chaperone, GroEL binds with a large number of unfolded and partially folded proteins, to facilitate proper folding and prevent misfolding and aggregation. Although the major structural components of GroEL are well defined, scaffolds of the non-native substrates that determine chaperone-mediated folding have been difficult to recognize. Here we performed all-atomistic and replica-exchange molecular dynamics simulations to dissect non-native ensemble of an obligate GroEL folder, DapA. Thermodynamics analyses of unfolding simulations revealed populated intermediates with distinct structural characteristics. We found that surface exposed hydrophobic patches are significantly increased, primarily contributed from native and non-native β-sheet elements. We validate the structural properties of these conformers using experimental data, including circular dichroism (CD), 1-anilinonaphthalene-8-sulfonic acid (ANS) binding measurements and previously reported hydrogen-deutrium exchange coupled to mass spectrometry (HDX-MS). Further, we constructed network graphs to elucidate long-range intra-protein connectivity of native and intermediate topologies, demonstrating regions that serve as central “hubs”. Overall, our results implicate that genomic variations (or mutations) in the distinct regions of protein structures might disrupt these topological signatures disabling chaperone-mediated folding, leading to formation of aggregates. PMID:26394388

  16. Decoding Structural Properties of a Partially Unfolded Protein Substrate: En Route to Chaperone Binding.

    Science.gov (United States)

    Nagpal, Suhani; Tiwari, Satyam; Mapa, Koyeli; Thukral, Lipi

    2015-01-01

    Many proteins comprising of complex topologies require molecular chaperones to achieve their unique three-dimensional folded structure. The E.coli chaperone, GroEL binds with a large number of unfolded and partially folded proteins, to facilitate proper folding and prevent misfolding and aggregation. Although the major structural components of GroEL are well defined, scaffolds of the non-native substrates that determine chaperone-mediated folding have been difficult to recognize. Here we performed all-atomistic and replica-exchange molecular dynamics simulations to dissect non-native ensemble of an obligate GroEL folder, DapA. Thermodynamics analyses of unfolding simulations revealed populated intermediates with distinct structural characteristics. We found that surface exposed hydrophobic patches are significantly increased, primarily contributed from native and non-native β-sheet elements. We validate the structural properties of these conformers using experimental data, including circular dichroism (CD), 1-anilinonaphthalene-8-sulfonic acid (ANS) binding measurements and previously reported hydrogen-deutrium exchange coupled to mass spectrometry (HDX-MS). Further, we constructed network graphs to elucidate long-range intra-protein connectivity of native and intermediate topologies, demonstrating regions that serve as central "hubs". Overall, our results implicate that genomic variations (or mutations) in the distinct regions of protein structures might disrupt these topological signatures disabling chaperone-mediated folding, leading to formation of aggregates.

  17. Mechanical properties and structure of magnesium alloy AS31

    Directory of Open Access Journals (Sweden)

    A. Hanus

    2008-07-01

    Full Text Available Contemporary materials should possess high mechanical properties, physical and chemical, as well as technological ones, to ensure long and reliable use. The non-ferrous metals alloys used nowadays, including the magnesium alloys, meet the above-mentioned requirements and expectations regarding the contemporary materials.Magnesium alloys are primarily used in aeronautical and automobile industry in wide variety of structural characteristics because of their favorable combination of tensile strength (160 to 365 MPa, elastic modulus (45 GPa, and low density (1 740 kg/m3, which is two-thirds that of aluminum. Magnesium alloys have high strength-to-weight ratio (tensile strength/density, comparable to those of other structural metals. [1-6]Knowledge of the relaxation properties of metal materials at high temperatures is necessary for the verification of susceptibility of castings to the creation of defects during the production process. Temperature limits of materials where highest tension values are generated may be detected with tensile tests under high temperatures. The generated tensions in the casting are a cause of the creation and development of defects. At acoustic emission (hereinafter called the "AE" use, tensile tests at high temperatures may, among other things, be used for analysis of the AE signal sources and set, in more detail, the temperature limit of elastic-plastic deformations existence in the material under examination. The results of the temperature drop where tension at casting cooling is generated or its release at heating are basic data for controlled cooling mode (and temperature of casting knocking out of the form as well as necessary for the thermal mode for the casting tension reduction. [7-9]Knowledge of elastic-plastic properties at elevated temperatures is often important for complex evaluation of magnesium alloys. Objective of the work was focused on determination of changes of elastic-plastic properties of magnesium

  18. Structural phase transition and elastic properties of mercury chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India); Shriya, S. [School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria)

    2012-08-15

    Pressure induced structural transition and elastic properties of ZnS-type (B3) to NaCl-type (B1) structure in mercury chalcogenides (HgX; X = S, Se and Te) are presented. An effective interionic interaction potential (EIOP) with long-range Coulomb, as well charge transfer interactions, Hafemeister and Flygare type short-range overlap repulsion extended up to the second neighbor ions and van der Waals interactions are considered. Emphasis is on the evaluation of the pressure dependent Poisson's ratio {nu}, the ratio R{sub BT/G} of B (bulk modulus) over G (shear modulus), anisotropy parameter, Shear and Young's modulus, Lame constant, Kleinman parameter, elastic wave velocity and thermodynamical property as Debye temperature. The Poisson's ratio behavior infers that Mercury chalcogenides are brittle in nature. To our knowledge this is the first quantitative theoretical prediction of the pressure dependence of elastic and thermodynamical properties explicitly the ductile (brittle) nature of HgX and still awaits experimental confirmations. Highlights: Black-Right-Pointing-Pointer Vast volume discontinuity in phase diagram infers transition from ZnS to NaCl structure. Black-Right-Pointing-Pointer The shear elastic constant C{sub 44} is nonzero confirms the mechanical stability. Black-Right-Pointing-Pointer Pressure dependence of {theta}{sub D} infers the softening of lattice with increasing pressure. Black-Right-Pointing-Pointer Estimated bulk, shear and tetragonal moduli satisfied elastic stability criteria. Black-Right-Pointing-Pointer In both B3 and B1 phases, C{sub 11} and C{sub 12} increase linearly with pressure.

  19. Structural and magnetic properties of nanocrystalline stannic substituted cobalt ferrite

    Energy Technology Data Exchange (ETDEWEB)

    Abbas, Y.M., E-mail: ymabbas@live.com [Physics Department, Faculty of Science, Suez Canal University, Ismailia (Egypt); Mansour, S.A. [Physics Department, Faculty of Science, Suez Canal University, Ismailia (Egypt); Physics Department, Faculty of Science, King AbdulAziz University, Rabegh (Saudi Arabia); Ibrahim, M.H. [Physics Department, Faculty of Science, Suez Canal University, Ismailia (Egypt); Physics Department, Faculty of Science, King AbdulAziz University (Saudi Arabia); Ali, Shehab. E., E-mail: shehab_ali@science.suez.edu.eg [Physics Department, Faculty of Science, Suez Canal University, Ismailia (Egypt)

    2012-09-15

    The structural and magnetic properties of the spinel ferrite system Co{sub 1+x}Fe{sub 2-2x}Sn{sub x}O{sub 4} (x=0.0-1.0) have been studied. Samples in the series were prepared by the ceramic technique. The structural and microstructural evolutions of the nanophase have been studied using X-ray powder diffraction and the Rietveld method. The refinement result showed that the type of the cationic distribution over the tetrahedral and octahedral sites in the nanocrystalline lattice is partially an inverse spinel. Far infrared absorption spectra show two significant absorption bands, around 600 cm{sup -1} and 425 cm{sup -1}, which are respectively attributed to tetrahedral (A) and octahedral [B] vibrations of the spinel. Scanning Electron Microscopy (SEM) was used to study surface morphology. SEM images reveal particles in the nanosize range. The transmission electronic microscope (TEM) reveals that the grains are spherical in shape. TEM analysis confirmed the X-ray results. The magnetic properties of the prepared samples were characterized by using a vibrating sample magnetometer. - Highlights: Black-Right-Pointing-Pointer The spinel ferrite system has been formed at 1000 Degree-Sign C by using ceramic techniques. Black-Right-Pointing-Pointer Structural and microstructural evolutions have been studied using XRD and the Rietveld method. Black-Right-Pointing-Pointer The refinement result showed cationic distribution in the lattice is partially an inverse spinel. Black-Right-Pointing-Pointer The transmission electronic microscope analysis confirmed the X-ray results. Black-Right-Pointing-Pointer Magnetic properties of the samples were characterized by using a vibrating sample magnetometer.

  20. Structural and magnetic properties of nanocrystalline stannic substituted cobalt ferrite

    International Nuclear Information System (INIS)

    Abbas, Y.M.; Mansour, S.A.; Ibrahim, M.H.; Ali, Shehab. E.

    2012-01-01

    The structural and magnetic properties of the spinel ferrite system Co 1+x Fe 2−2x Sn x O 4 (x=0.0–1.0) have been studied. Samples in the series were prepared by the ceramic technique. The structural and microstructural evolutions of the nanophase have been studied using X-ray powder diffraction and the Rietveld method. The refinement result showed that the type of the cationic distribution over the tetrahedral and octahedral sites in the nanocrystalline lattice is partially an inverse spinel. Far infrared absorption spectra show two significant absorption bands, around 600 cm −1 and 425 cm −1 , which are respectively attributed to tetrahedral (A) and octahedral [B] vibrations of the spinel. Scanning Electron Microscopy (SEM) was used to study surface morphology. SEM images reveal particles in the nanosize range. The transmission electronic microscope (TEM) reveals that the grains are spherical in shape. TEM analysis confirmed the X-ray results. The magnetic properties of the prepared samples were characterized by using a vibrating sample magnetometer. - Highlights: ► The spinel ferrite system has been formed at 1000 °C by using ceramic techniques. ► Structural and microstructural evolutions have been studied using XRD and the Rietveld method. ► The refinement result showed cationic distribution in the lattice is partially an inverse spinel. ► The transmission electronic microscope analysis confirmed the X-ray results. ► Magnetic properties of the samples were characterized by using a vibrating sample magnetometer.

  1. Structure and properties of intermetallic ternary rare earth compounds

    International Nuclear Information System (INIS)

    Casper, Frederick

    2008-01-01

    The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

  2. Structure and properties of intermetallic ternary rare earth compounds

    Energy Technology Data Exchange (ETDEWEB)

    Casper, Frederick

    2008-12-17

    The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

  3. Microscale and nanoscale hierarchical structured mesh films with superhydrophobic and superoleophilic properties induced by long-chain fatty acids

    International Nuclear Information System (INIS)

    Wang Shutao; Song Yanlin; Jiang Lei

    2007-01-01

    Inspired by the lotus effect, we fabricate new microscale and nanoscale hierarchical structured copper mesh films by a simple electrochemical deposition. After modification of the long-chain fatty acid monolayer, these films show superhydrophobic and superoleophilic properties, which could be used for the effective separation of oil and water. The length of the fatty acid chain strongly influences the surface wettability of as-prepared films. It is confirmed that the cooperative effect of the hierarchical structure of the copper film and the nature of the long-chain fatty acid contribute to this unique surface wettability

  4. Mechanical and structural properties of sputtered Ni/Ti multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Senthil Kumar, M.; Boeni, P.; Tixier, S.; Clemens, D.; Horisberger, M. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-09-01

    Ni/Ti bilayers have been prepared by dc-magnetron sputtering in order to study their mechanical and structural properties. A remarkable reduction of stress is observed when the Ni layers are sputtered reactively in argon with a high partial pressure of air. The high angle x-ray diffraction studies show a tendency towards amorphisation of the Ni layers with increasing air flow. The low angle measurements indicate a substantial reduction of interdiffusion resulting in smoother interfaces with increasing air content. (author) 2 figs., 2 refs.

  5. Structural, electronic and optical properties of carbon nitride

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, M L [California Univ., Berkeley (United States). Dept. of Physics

    1996-05-01

    Carbon nitride was proposed as a superhard material and a structural prototype, {beta}-C{sub 3}N{sub 4}, was examined using several theoretical models. Some reports claiming experimental verifications have been made recently. The current status of the theory and experiment is reviewed, and a detailed discussion is presented of calculations of the electronic and optical properties of this material. These calculations predict that {beta}-C{sub 3}N{sub 4} will have a minimum gap which is indirect at 6.4{+-}0.5 eV. A discussion of the possibility of carbon nitride nanotubes is also presented. (orig.)

  6. Optical constants and structural properties of thin gold films

    DEFF Research Database (Denmark)

    Yakubovsky, Dmitry I.; Arsenin, Aleksey V.; Stebunov, Yury V.

    2017-01-01

    We report a comprehensive experimental study of optical and electrical properties of thin polycrystalline gold films in a wide range of film thicknesses (from 20 to 200 nm). Our experimental results are supported by theoretical calculations based on the measured morphology of the fabricated gold...... rules for thin-film plasmonic and nanophotonic devices....... films. We demonstrate that the dielectric function of the metal is determined by its structural morphology. Although the fabrication process can be absolutely the same for different films, the dielectric function can strongly depend on the film thickness. Our studies show that the imaginary part...

  7. Alkyltributylphosphonium chloride ionic liquids: synthesis, physicochemical properties and crystal structure.

    Science.gov (United States)

    Adamová, Gabriela; Gardas, Ramesh L; Nieuwenhuyzen, Mark; Puga, Alberto V; Rebelo, Luís Paulo N; Robertson, Allan J; Seddon, Kenneth R

    2012-07-21

    A series of alkyltributylphosphonium chloride ionic liquids, prepared from tributylphosphine and the respective 1-chloroalkane, C(n)H(2n+1)Cl (where n = 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 12 or 14), is reported. This work is a continuation of an extended series of tetraalkylphosphonium ionic liquids, where the focus is on the variability of n and its impact on the physical properties, such as melting points/glass transitions, thermal stability, density and viscosity. Experimental density and viscosity data were interpreted using QPSR and group contribution methods and the crystal structure of propyl(tributyl)phosphonium chloride is detailed.

  8. Characterization, Microstructure, and Dielectric properties of cubic pyrochlore structural ceramics

    KAUST Repository

    Li, Yangyang

    2013-05-01

    The (BMN) bulk materials were sintered at 1050°C, 1100°C, 1150°C, 1200°C by the conventional ceramic process, and their microstructure and dielectric properties were investigated by Scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy, Transmission electron microscopy (TEM) (including the X-ray energy dispersive spectrometry EDS and high resolution transmission electron microscopy HRTEM) and dielectric impedance analyzer. We systematically investigated the structure, dielectric properties and voltage tunable property of the ceramics prepared at different sintering temperatures. The XRD patterns demonstrated that the synthesized BMN solid solutions had cubic phase pyrochlore-type structure when sintered at 1050°C or higher, and the lattice parameter (a) of the unit cell in BMN solid solution was calculated to be about 10.56Å. The vibrational peaks observed in the Raman spectra of BMN solid solutions also confirmed the cubic phase pyrochlore-type structure of the synthesized BMN. According to the Scanning Electron Microscope (SEM) images, the grain size increased with increasing sintering temperature. Additionally, it was shown that the densities of the BMN ceramic tablets vary with sintering temperature. The calculated theoretical density for the BMN ceramic tablets sintered at different temperatures is about 6.7521 . The density of the respective measured tablets is usually amounting more than 91% and 5 approaching a maximum value of 96.5% for sintering temperature of 1150°C. The microstructure was investigated by using Scanning Transmission Electron Microscope (STEM), X-ray diffraction (XRD). Combined with the results obtained from the STEM and XRD, the impact of sintering temperature on the macroscopic and microscopic structure was discussed. The relative dielectric constant ( ) and dielectric loss ( ) of the BMN solid solutions were measured to be 161-200 and (at room temperature and 100Hz-1MHz), respectively. The BMN solid

  9. Effect of Structure on Physical Properties of Polymers.

    Science.gov (United States)

    1979-12-31

    PORT NUMBE . J ! 2. GOVT ACCESSION NO. 3. RECIPIENT’S CATALOG NUMBER OSRT R’.-8 00 7 5 0 4_7_5_ Effecc of Structure on Physical Properties of -Final...Compatibility of Fluorosubstituted Styrene Polymers with PPO and PS. R. Vukovic , F.E. Karasz, W.J. MacKnight, (in press). (6) Compatibility of Ortho- and Para...fluorostyrene Copolymers with PPO and PS. R. Vukovic , F.E. Karasz, W.J. MacKnight, (in press). (7) Partial Miscibility in the System Poly (para

  10. Structural properties of recursively partitionable graphs with connectivity 2

    DEFF Research Database (Denmark)

    Baudon, Olivier; Bensmail, Julien; Foucaud, Florent

    2017-01-01

    , namely the ones of being online arbitrarily partitionable and recursively arbitrarily partitionable (OL-AP and R-AP for short, respectively), in which the subgraphs induced by a partition of G must not only be con-nected but also ful_l additional conditions. In this paper, we point out some structural...... properties of OL-AP and R-AP graphs with connectivity 2. In particular, we show that deleting a cut pair of these graphs results in a graph with a bounded number of components, some of whom have a small number of vertices. We obtain these results by studying a simple class of 2-connected graphs called...

  11. CRITICAL MECHANICAL PROPERTIES OF STRUCTURAL LIGHT-WEIGHT CONCRETE AND THE EFFECTS OF THESE PROPERTIES ON THE DESIGN OF THE PAVEMENT STRUCTURE.

    Science.gov (United States)

    1965-01-01

    In this study, critical mechanical properties of structural lightweight concrete were determined and utilized in the evaluation of a design of concrete pavements. Also presented are the critical mechanical properties resulting from unrestrained and r...

  12. Structural and magnetic properties of Mn-implanted Si

    International Nuclear Information System (INIS)

    Zhou Shengqiang; Potzger, K.; Zhang Gufei; Muecklich, A.; Eichhorn, F.; Schell, N.; Groetzschel, R.; Schmidt, B.; Skorupa, W.; Helm, M.; Fassbender, J.; Geiger, D.

    2007-01-01

    Structural and magnetic properties in Mn-implanted, p-type Si were investigated. High resolution structural analysis techniques such as synchrotron x-ray diffraction revealed the formation of MnSi 1.7 nanoparticles already in the as-implanted samples. Depending on the Mn fluence, the size increases from 5 nm to 20 nm upon rapid thermal annealing. No significant evidence is found for Mn substituting Si sites either in the as-implanted or annealed samples. The observed ferromagnetism yields a saturation moment of 0.21μ B per implanted Mn at 10 K, which could be assigned to MnSi 1.7 nanoparticles as revealed by a temperature-dependent magnetization measurement

  13. Structure-Property Study of Piezoelectricity in Polyimides

    Science.gov (United States)

    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.

  14. Numerical investigation of elastic mechanical properties of graphene structures

    International Nuclear Information System (INIS)

    Georgantzinos, S.K.; Giannopoulos, G.I.; Anifantis, N.K.

    2010-01-01

    The computation of the elastic mechanical properties of graphene sheets, nanoribbons and graphite flakes using spring based finite element models is the aim of this paper. Interatomic bonded interactions as well as van der Waals forces between carbon atoms are simulated via the use of appropriate spring elements expressing corresponding potential energies provided by molecular theory. Each layer is idealized as a spring-like structure with carbon atoms represented by nodes while interatomic forces are simulated by translational and torsional springs with linear behavior. The non-bonded van der Waals interactions among atoms which are responsible for keeping the graphene layers together are simulated with the Lennard-Jones potential using appropriate spring elements. Numerical results concerning the Young's modulus, shear modulus and Poisson's ratio for graphene structures are derived in terms of their chilarity, width, length and number of layers. The numerical results from finite element simulations show good agreement with existing numerical values in the open literature.

  15. Structural properties of maize hybrids established by infrared spectra

    Directory of Open Access Journals (Sweden)

    Radenović Čedomir N.

    2015-01-01

    Full Text Available This paper discusses the application of the infrared (IR spectroscopy method for determination of structural properties of maize hybrid grains. The IR spectrum of maize grain has been registered in the following hybrids: ZP 341, ZP 434 and ZP 505. The existence of spectral bands varying in both number and intensity, as well as their shape, frequency and kinetics have been determined. They have been determined by valence oscillations and deformation oscillations of the following organic compounds: alkanes, alkenes, alkynes, amides, alcohols, ethers, carboxylic acids, esters and aldehydes and ketones, characteristic for biogenic compounds such as carbohydrates, proteins and lipids. In this way, possible changes in the grain structure of observed maize hybrids could be detected.

  16. Chemical structure and properties of low-molecular furin inhibitors

    Directory of Open Access Journals (Sweden)

    T. V. Osadchuk

    2016-12-01

    Full Text Available The review is devoted to the analysis of the relationship between a chemical structure and properties of low-molecular weight inhibitors of furin, the most studied proprotein convertase, which is involved in the development of some pathologies, such as oncologic diseases, viral and bacterial infections, etc. The latest data concerning the influence of peptides, pseudo-peptides, aromatic and heterocyclic compounds, some natural ones such as flavonoids, coumarins, and others on enzyme inactivation are considered. The power of furin inhibition is shown to rise with the increasing number of positively charged groups in the structure of these compounds. Peptidomimetics (Ki = 5-8 pM are shown to be the most effective furin inhibitors. The synthesized substances, however, have not been used in practical application yet. Nowadays it is very important to find more selective inhibitors, improve their stability, bioavailability and safety for the human organism.

  17. Structures and properties of naturally occurring polyether antibiotics.

    Science.gov (United States)

    Rutkowski, Jacek; Brzezinski, Bogumil

    2013-01-01

    Polyether ionophores represent a large group of natural, biologically active substances produced by Streptomyces spp. They are lipid soluble and able to transport metal cations across cell membranes. Several of polyether ionophores are widely used as growth promoters in veterinary. Polyether antibiotics show a broad spectrum of bioactivity ranging from antibacterial, antifungal, antiparasitic, antiviral, and tumour cell cytotoxicity. Recently, it has been shown that some of these compounds are able to selectively kill cancer stem cells and multidrug-resistant cancer cells. Thus, they are recognized as new potential anticancer drugs. The biological activity of polyether ionophores is strictly connected with their molecular structure; therefore, the purpose of this paper is to present an overview of their formula, molecular structure, and properties.

  18. Structural and dynamic properties of solid state ionics

    International Nuclear Information System (INIS)

    Sakuma, T.

    1995-01-01

    The structural and dynamic properties of solid state ionics are reviewed. The low temperature phase transition of the copper halide-chalcogen compounds by specific heat measurements, electrical conductivity measurements and x-ray diffraction measurements are explained. The structures of solid state ionics investigated by the usual x-ray diffraction method and the anomalous x-ray scattering (AXS) measurement are discussed. The expression of the diffuse scattering intensity including the correlations among the thermal displacements of atoms has been given and applied to α-AgI type solid state ionics and lithium sulphate. The presence of low-energy excitations in crystalline copper ion conductors and the superionic conducting glass is investigated by neutron inelastic scattering measurements. The relation between the excitation energy and the mass of the cations is discussed. (author). 141 refs., 21 figs., 7 tabs

  19. γ-Glutamyltranspeptidases: sequence, structure, biochemical properties, and biotechnological applications.

    Science.gov (United States)

    Castellano, Immacolata; Merlino, Antonello

    2012-10-01

    γ-Glutamyltranspeptidases (γ-GTs) are ubiquitous enzymes that catalyze the hydrolysis of γ-glutamyl bonds in glutathione and glutamine and the transfer of the released γ-glutamyl group to amino acids or short peptides. These enzymes are involved in glutathione metabolism and play critical roles in antioxidant defense, detoxification, and inflammation processes. Moreover, γ-GTs have been recently found to be involved in many physiological disorders, such as Parkinson's disease and diabetes. In this review, the main biochemical and structural properties of γ-GTs isolated from different sources, as well as their conformational stability and mechanism of catalysis, are described and examined with the aim of contributing to the discussion on their structure-function relationships. Possible applications of γ-glutamyltranspeptidases in different fields of biotechnology and medicine are also discussed.

  20. Structure and properties of calcium iron phosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Qian, Bin [School of Science, Southwest University of Science and Technology, Mianyang 621010 (China); Liang, Xiaofeng, E-mail: xfliangswust@gmail.com [Analytical and Testing Center, Southwest University of Science and Technology, Mianyang 621010 (China); School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Wang, Cuiling; Yang, Shiyuan [School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China)

    2013-11-15

    The structural properties of xCaO–(100 − x) (0.4Fe{sub 2}O{sub 3}–0.6P{sub 2}O{sub 5}) (x = 0, 10, 20, 30, 40, 50 mol%) glasses have been investigated by XRD, DTA, IR and Raman spectroscopy. XRD analysis has confirmed that the majority of samples are X-ray amorphous, and EDS analysis indicates that the glass matrix can accommodate ≈30 mol% CaO. IR and Raman spectra show that the glass structure consists predominantly of pyrophosphate (Q{sup 1}) units. IR spectra indicate that the phosphate network is depolymerized with the addition of CaO content. The density and glass transition temperature (T{sub g}) increase with increasing CaO content for the glasses. This behavior indicates that the addition of CaO improves the strength of the cross-links between the phosphate chains of the glass.

  1. Synthesis, Crystal Structure and Water Vapor Adsorption Properties of a Porous Supramolecular Architecture

    Directory of Open Access Journals (Sweden)

    Rui Qiao

    2017-10-01

    Full Text Available A new complex, [Cu4(HL4(H2O14] (1, H3L·HCl = 5-((4-carboxypiperidin-1-ylmethylisophthalic acid hydrochloride, has been prepared and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and powder X-ray diffraction (PXRD. The result of the X-ray diffraction analysis reveals that the complex crystallizes in monoclinic, space group C2/c and three unique Cu(II atoms that are connected by partially deprotonated HL2− anion to form a cyclic structure. The rich hydrogen bonding and π-π non-covalent packing interactions extend cyclic units into a three-dimensional (3D supramolecular polymer. Moreover, the thermogravimetric (TG analysis and water vapor adsorption property of 1 were also discussed.

  2. Iron phosphate glasses: Bulk properties and atomic scale structure

    Energy Technology Data Exchange (ETDEWEB)

    Joseph, Kitheri; Stennett, Martin C.; Hyatt, Neil C.; Asuvathraman, R.; Dube, Charu L.; Gandy, Amy S.; Govindan Kutty, K. V.; Jolley, Kenny; Vasudeva Rao, P. R.; Smith, Roger

    2017-10-01

    Bulk properties such as glass transition temperature, density and thermal expansion of iron phosphate glass compositions, with replacement of Cs by Ba, are investigated as a surrogate for the transmutation of 137Cs to 137Ba, relevant to the immobilisation of Cs in glass. These studies are required to establish the appropriate incorporation rate of 137Cs in iron phosphate glass. Density and glass transition temperature increases with the addition of BaO indicating the shrinkage and reticulation of the iron phosphate glass network. The average thermal expansion coefficient reduces from 19.8 × 10-6 K-1 to 13.4 × 10-6 K-1, when 25 wt. % of Cs2O was replaced by 25 wt. % of BaO in caesium loaded iron phosphate glass. In addition to the above bulk properties, the role of Ba as a network modifier in the structure of iron phosphate glass is examined using various spectroscopic techniques. The FeII content and average coordination number of iron in the glass network was estimated using Mössbauer spectroscopy. The FeII content in the un-doped iron phosphate glass and barium doped iron phosphate glasses was 20, 21 and 22 ± 1% respectively and the average Fe coordination varied from 5.3 ± 0.2 to 5.7 ± 0.2 with increasing Ba content. The atomic scale structure was further probed by Fe K-edge X-ray absorption spectroscopy. The average coordination number provided by extended X-ray absorption fine structure spectroscopy and X-ray absorption near edge structure was in good agreement with that given by the Mössbauer data.

  3. Structure and property correlations in FeS

    Energy Technology Data Exchange (ETDEWEB)

    Kuhn, S.J. [Materials Science & Technology Division, Oak Ridge National Laboratory , Oak Ridge , TN 37831 (United States); Department of Physics , University of Notre Dame , Notre Dame , IN 46556 (United States); Kidder, M.K. [Chemical Sciences Division, Oak Ridge National Laboratory , Oak Ridge , TN 37831 (United States); Parker, D.S. [Materials Science & Technology Division, Oak Ridge National Laboratory , Oak Ridge , TN 37831 (United States); Cruz, C. dela [Quantum Condensed Matter Division, Oak Ridge National Laboratory , Oak Ridge , TN 37831 (United States); McGuire, M.A.; Chance, W.M.; Li, Li [Materials Science & Technology Division, Oak Ridge National Laboratory , Oak Ridge , TN 37831 (United States); Debeer-Schmitt, L. [Chemical and Engineering Materials Division, Oak Ridge National Laboratory , Oak Ridge , TN 37831 (United States); Ermentrout, J. [Materials Science & Technology Division, Oak Ridge National Laboratory , Oak Ridge , TN 37831 (United States); Littrell, K.C. [Chemical and Engineering Materials Division, Oak Ridge National Laboratory , Oak Ridge , TN 37831 (United States); Eskildsen, M.R. [Department of Physics , University of Notre Dame , Notre Dame , IN 46556 (United States); Sefat, A.S. [Materials Science & Technology Division, Oak Ridge National Laboratory , Oak Ridge , TN 37831 (United States)

    2017-03-15

    Highlights: • Similar to other iron chalcogenides of FeSe and FeTe, the structure and composition of FeS is highly correlated to its superconductivity. For iron-sulfide (FeS), we report the correlation between the structural details with its magnetic and superconducting properties. • While our FeS with a = 3.6772(7) Å is a filamentary superconductor coexisting with an antiferromagnetic phase, previously reported samples with a > 3.68 Å are bulk superconductors with no magnetism, and those with a ≈ 3.674 Å show magnetic properties. The a lattice of ≥3.68 Å seem to be crucial for causing bulk superconductivity in the tetragonal phase, which is relevant to iron stoichiometry and sulfur height from the iron plane. • For Fe{sub 0.93}S, we report evidence for the coexistence of antiferromagnetism at T{sub N} = 116 and filamentary superconductivity below T{sub c} = 4 K. While temperature neutron diffraction data reveals antiferromagnetic commensurate ordering with wave vector k{sub m} = (0.25,0.25,0), our magnetization results shows shielding and diamagnetism. - Abstract: For iron-sulfide (FeS), we investigate the correlation between the structural details, including its dimensionality and composition, with its magnetic and superconducting properties. We compare, theoretically and experimentally, the two-dimensional (2D) layered tetragonal (“t-FeS”) phase with the 3D hexagonal ('h-FeS') phase. X-ray diffraction reveals iron-deficient chemical compositions of t-Fe{sub 0.93(1)}S and h-Fe{sub 0.84(1)}S that show no low-temperature structural transitions. First-principles calculations reveal a high sensitivity of the 2D structure to the electronic and magnetic properties, predicting marginal antiferromagnetic instability for our compound (sulfur height of z{sub S} = 0.252) with an ordering energy of about 11 meV/Fe, while the 3D phase is magnetically stable. Experimentally, h-Fe{sub 0.84}S orders magnetically well above room

  4. Structural and optical properties of solid-state synthesized Au dendritic structures

    International Nuclear Information System (INIS)

    Gentile, A.; Ruffino, F.; Romano, L.; Boninelli, S.; Reitano, R.; Piccitto, G.; Grimaldi, M.G.

    2014-01-01

    Graphical abstract: - Highlights: • Au dendritic structures were produced on surfaces. • The chemical and structural properties of the dendritic structures are presented. • The optical properties of the dendritic structures are presented. • The ability of the dendritic structures to serve as light scattering centers is presented. - Abstract: Au dendrites (Au Ds) are synthesized, on various substrates, by a simple physical methodology involving the deposition of a thin Au film on a Si surface followed by thermal processes at high temperatures (>1273 K) in an inert ambient (N 2 ), using fast heating and cooling rates (1273 K/min). Microscopic analyses reveal the evolution, thanks to the thermal processes, of the Au film from a continuous coating to dendritic structures covering the entire sample surface. In particular, transmission electron microscopy analyses indicate that, below the Au surface, the dendritic structures consist of Si atoms originating from the substrate. Furthermore, optical characterizations reveal the ability of the Au Ds to serve as scattering centers in the infrared region. Finally, on the basis of the experimental observations, a phenomenological model for the growth of the Au Ds is proposed

  5. Fibrinogen-Related Proteins in Tissue Repair: How a Unique Domain with a Common Structure Controls Diverse Aspects of Wound Healing.

    Science.gov (United States)

    Zuliani-Alvarez, Lorena; Midwood, Kim S

    2015-05-01

    Significance: Fibrinogen-related proteins (FRePs) comprise an intriguing collection of extracellular molecules, each containing a conserved fibrinogen-like globe (FBG). This group includes the eponymous fibrinogen as well as the tenascin, angiopoietin, and ficolin families. Many of these proteins are upregulated during tissue repair and exhibit diverse roles during wound healing. Recent Advances: An increasing body of evidence highlights the specific expression of a number of FRePs following tissue injury and infection. Upon induction, each FReP uses its FBG domain to mediate quite distinct effects that contribute to different stages of tissue repair, such as driving coagulation, pathogen detection, inflammation, angiogenesis, and tissue remodeling. Critical Issues: Despite a high degree of homology among FRePs, each contains unique sequences that enable their diversification of function. Comparative analysis of the structure and function of FRePs and precise mapping of regions that interact with a variety of ligands has started to reveal the underlying molecular mechanisms by which these proteins play very different roles using their common domain. Future Directions: Fibrinogen has long been used in the clinic as a synthetic matrix serving as a scaffold or a delivery system to aid tissue repair. Novel therapeutic strategies are now emerging that harness the use of other FRePs to improve wound healing outcomes. As we learn more about the underlying mechanisms by which each FReP contributes to the repair response, specific blockade, or indeed potentiation, of their function offers real potential to enable regulation of distinct processes during pathological wound healing.

  6. Crystal structures and second-order NLO properties of borogermanates

    Science.gov (United States)

    Zhang, Jian-Han; Kong, Fang; Xu, Xiang; Mao, Jiang-Gao

    2012-11-01

    Borogermanates are a class of very important compounds in materials chemistry. In this paper, the syntheses, structures, and properties of metal borogermanates are reviewed. Organically templated borogermanates with zeolite-like open-frameworks show potential applications as microporous materials. Many compounds in alkali or alkaline-earth borogermanate systems are structurally acentric or polar, some of which exhibit excellent Second Harmonic Generation (SHG) coefficients, wide transparency regions, and high optical-damage thresholds as well as excellent thermal stability. Most of the lanthanide borogermanates are structurally centrosymmetric and not SHG active; however, they are able to emit strong luminescence in visible or near-IR region. In the B-rich compounds, BO3 and BO4 groups can be polymerized into a variety of discrete polynuclear anionic cluster units or extended architectures via B-O-B bridges; whereas in the Ge-rich compounds, GeO4 and GeO6 polyhedra can also be polymerized. The combinations of borate and germinate afforded rich structural and topological types.

  7. Structures and properties of fluorinated amorphous carbon films

    Science.gov (United States)

    Huang, K. P.; Lin, P.; Shih, H. C.

    2004-07-01

    Fluorinated amorphous carbon (a-C:F) films were deposited by radio frequency bias assisted microwave plasma electron cyclotron resonance chemical vapor deposition with tetrafluoromethane (CF4) and acetylene (C2H2) as precursors. The deposition process was performed at two flow ratios R=0.90 and R=0.97, where R=CF4/(CF4+C2H2). The samples were annealed at 300 °C for 30 min. in a N2 atmosphere. Both Fourier transform infrared and electron spectroscopy for chemical analyzer were used to characterize the a-C:F film chemical bond and fluorine concentration, respectively. A high resolution electron energy loss spectrometer was applied to detect the electronic structure. The higher CF4 flow ratio (R=0.97) produced more sp3 linear structure, and it made the a-C:F film smoother and softer. A lifetime of around 0.34 μs and an energy gap of ˜2.75 eV were observed in both the as-deposited and after annealing conditions. The short carriers lifetime in the a-C:F film made the photoluminescence peak blueshift. The annealing changed both the structure and composition of the a-C:F film. The type of fluorocarbon bond and electronic structure characterized the mechanical and physical properties of a-C:F film.

  8. Structural and mechanical properties of glassy water in nanoscale confinement.

    Science.gov (United States)

    Lombardo, Thomas G; Giovambattista, Nicolás; Debenedetti, Pablo G

    2009-01-01

    We investigate the structure and mechanical properties of glassy water confined between silica-based surfaces with continuously tunable hydrophobicity and hydrophilicity by computing and analyzing minimum energy, mechanically stable configurations (inherent structures). The structured silica substrate imposes long-range order on the first layer of water molecules under hydrophobic confinement at high density (p > or = 1.0 g cm(-3)). This proximal layer is also structured in hydrophilic confinement at very low density (p approximately 0.4 g cm(-3)). The ordering of water next to the hydrophobic surface greatly enhances the mechanical strength of thin films (0.8 nm). This leads to a substantial stress anisotropy; the transverse strength of the film exceeds the normal strength by 500 MPa. The large transverse strength results in a minimum in the equation of state of the energy landscape that does not correspond to a mechanical instability, but represents disruption of the ordered layer of water next to the wall. In addition, we find that the mode of mechanical failure is dependent on the type of confinement. Under large lateral strain, water confined by hydrophilic surfaces preferentially forms voids in the middle of the film and fails cohesively. In contrast, water under hydrophobic confinement tends to form voids near the walls and fails by loss of adhesion.

  9. Structural and electronic properties of La C[sub 82

    Energy Technology Data Exchange (ETDEWEB)

    Laasonen, K.; Andreoni, W.; Parrinello, M. (Zurich Research Lab., Rueschlikon (Switzerland))

    1992-12-18

    The structural and electronic properties of the La C[sub 82] fullerene have been investigated by means of the Car-Parrinello method, which is based on the local density approximation of the density functional theory. The topological arrangement of the C[sub 82] cage was assumed to be a C[sub 3v] symmetry isomer. Three configurations were considered, one with the lanthanum atom at the center of the cluster, one with it along the threefold axis, and one with it at a low-symmetry, highly coordinated site. The structure was fully relaxed and it was found that the last of these configurations is energetically preferred. In this position, the lanthanum atom is nearly in a La[sup 3+] state and the unpaired electron is somewhat delocalized on the cage, in agreement with available experimental data. This arrangement suggests that the chemical shifts of the 5s and 5p lanthanum states can be used as a structural probe and as a way of further validating this picture. It is argued that this conclusion is not affected by the assumed fullerene structure.

  10. Table of periodic properties of fullerenes based on structural parameters.

    Science.gov (United States)

    Torrens, Francisco

    2004-01-01

    The periodic table (PT) of the elements suggests that hydrogen could be the origin of everything else. The construction principle is an evolutionary process that is formally similar to those of Darwin and Oparin. The Kekulé structure count and permanence of the adjacency matrix of fullerenes are related to structural parameters involving the presence of contiguous pentagons p, q and r. Let p be the number of edges common to two pentagons, q the number of vertices common to three pentagons, and r the number of pairs of nonadjacent pentagon edges shared between two other pentagons. Principal component analysis (PCA) of the structural parameters and cluster analysis (CA) of the fullerenes permit classifying them and agree. A PT of the fullerenes is built based on the structural parameters, PCA and CA. The periodic law does not have the rank of the laws of physics. (1) The properties of the fullerenes are not repeated; only, and perhaps, their chemical character. (2) The order relationships are repeated, although with exceptions. The proposed statement is the following: The relationships that any fullerene p has with its neighbor p + 1 are approximately repeated for each period.

  11. Biochemical and Structural Properties of Mouse Kynurenine Aminotransferase III

    Energy Technology Data Exchange (ETDEWEB)

    Han, Q.; Robinson, H; Cai, T; Tagle, D; Li, J

    2009-01-01

    Kynurenine aminotransferase III (KAT III) has been considered to be involved in the production of mammalian brain kynurenic acid (KYNA), which plays an important role in protecting neurons from overstimulation by excitatory neurotransmitters. The enzyme was identified based on its high sequence identity with mammalian KAT I, but its activity toward kynurenine and its structural characteristics have not been established. In this study, the biochemical and structural properties of mouse KAT III (mKAT III) were determined. Specifically, mKAT III cDNA was amplified from a mouse brain cDNA library, and its recombinant protein was expressed in an insect cell protein expression system. We established that mKAT III is able to efficiently catalyze the transamination of kynurenine to KYNA and has optimum activity at relatively basic conditions of around pH 9.0 and at relatively high temperatures of 50 to 60C. In addition, mKAT III is active toward a number of other amino acids. Its activity toward kynurenine is significantly decreased in the presence of methionine, histidine, glutamine, leucine, cysteine, and 3-hydroxykynurenine. Through macromolecular crystallography, we determined the mKAT III crystal structure and its structures in complex with kynurenine and glutamine. Structural analysis revealed the overall architecture of mKAT III and its cofactor binding site and active center residues. This is the first report concerning the biochemical characteristics and crystal structures of KAT III enzymes and provides a basis toward understanding the overall physiological role of mammalian KAT III in vivo and insight into regulating the levels of endogenous KYNA through modulation of the enzyme in the mouse brain.

  12. Effect of deformation diagram on molybdenum structure and properties

    International Nuclear Information System (INIS)

    Larin, Eh.N.; Abalikhin, A.A.; Kolikov, A.P.; Ushakova, N.E.

    1984-01-01

    Effect of deformation diagram on a tendency to lamination and mechanical properties of disks made of molybdenum alloy is studied. Investigated samples were subjected to hot rolling or forging. X-ray structural analysis of texture is carried out along with estimation of the level of mechanical properties across item cross section. Sample mechanical bending tests were conducted. Sample microstructure is also studied. It is shown that rolled molybdenum has a tendency to lamination, but forged molybdenum is free of such a tendency. Forged sample ductility is practically equal in all directionse but rolled sample ductility in a surface layer is high and decreases with depth. A conclusion is drawn that forged sample grains in a setting surface are equiaxial, but distinct deformation texture is observed for rolled samples and their grains are elongated in the direction of rolling. A conclusion is made that a flow diagram of the process of disk fabrication by forging or stamping ppovides a necessary complex of physicomechanical properties of metal as compared to polling, and metal discharge coefficient decreases sharply in this case

  13. Surface, structural and tensile properties of proton beam irradiated zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Rafique, Mohsin; Chae, San; Kim, Yong-Soo, E-mail: yongskim@hanyang.ac.kr

    2016-02-01

    This paper reports the surface, structural and tensile properties of proton beam irradiated pure zirconium (99.8%). The Zr samples were irradiated by 3.5 MeV protons using MC-50 cyclotron accelerator at different doses ranging from 1 × 10{sup 13} to 1 × 10{sup 16} protons/cm{sup 2}. Both un-irradiated and irradiated samples were characterized using Field Emission Scanning Electron Microscope (FESEM), X-ray Diffraction (XRD) and Universal Testing Machine (UTM). The average surface roughness of the specimens was determined by using Nanotech WSxM 5.0 develop 7.0 software. The FESEM results revealed the formation of bubbles, cracks and black spots on the samples’ surface at different doses whereas the XRD results indicated the presence of residual stresses in the irradiated specimens. Williamson–Hall analysis of the diffraction peaks was carried out to investigate changes in crystallite size and lattice strain in the irradiated specimens. The tensile properties such as the yield stress, ultimate tensile stress and percentage elongation exhibited a decreasing trend after irradiation in general, however, an inconsistent behavior was observed in their dependence on proton dose. The changes in tensile properties of Zr were associated with the production of radiation-induced defects including bubbles, cracks, precipitates and simultaneous recovery by the thermal energy generated with the increase of irradiation dose.

  14. Surface, structural and tensile properties of proton beam irradiated zirconium

    Science.gov (United States)

    Rafique, Mohsin; Chae, San; Kim, Yong-Soo

    2016-02-01

    This paper reports the surface, structural and tensile properties of proton beam irradiated pure zirconium (99.8%). The Zr samples were irradiated by 3.5 MeV protons using MC-50 cyclotron accelerator at different doses ranging from 1 × 1013 to 1 × 1016 protons/cm2. Both un-irradiated and irradiated samples were characterized using Field Emission Scanning Electron Microscope (FESEM), X-ray Diffraction (XRD) and Universal Testing Machine (UTM). The average surface roughness of the specimens was determined by using Nanotech WSxM 5.0 develop 7.0 software. The FESEM results revealed the formation of bubbles, cracks and black spots on the samples' surface at different doses whereas the XRD results indicated the presence of residual stresses in the irradiated specimens. Williamson-Hall analysis of the diffraction peaks was carried out to investigate changes in crystallite size and lattice strain in the irradiated specimens. The tensile properties such as the yield stress, ultimate tensile stress and percentage elongation exhibited a decreasing trend after irradiation in general, however, an inconsistent behavior was observed in their dependence on proton dose. The changes in tensile properties of Zr were associated with the production of radiation-induced defects including bubbles, cracks, precipitates and simultaneous recovery by the thermal energy generated with the increase of irradiation dose.

  15. Structure and mechanical properties of Octopus vulgaris suckers.

    Science.gov (United States)

    Tramacere, Francesca; Kovalev, Alexander; Kleinteich, Thomas; Gorb, Stanislav N; Mazzolai, Barbara

    2014-02-06

    In this study, we investigate the morphology and mechanical features of Octopus vulgaris suckers, which may serve as a model for the creation of a new generation of attachment devices. Octopus suckers attach to a wide range of substrates in wet conditions, including rough surfaces. This amazing feature is made possible by the sucker's tissues, which are pliable to the substrate profile. Previous studies have described a peculiar internal structure that plays a fundamental role in the attachment and detachment processes of the sucker. In this work, we present a mechanical characterization of the tissues involved in the attachment process, which was performed using microindentation tests. We evaluated the elasticity modulus and viscoelastic parameters of the natural tissues (E ∼ 10 kPa) and measured the mechanical properties of some artificial materials that have previously been used in soft robotics. Such a comparison of biological prototypes and artificial material that mimics octopus-sucker tissue is crucial for the design of innovative artificial suction cups for use in wet environments. We conclude that the properties of the common elastomers that are generally used in soft robotics are quite dissimilar to the properties of biological suckers.

  16. Electronic properties of a new structured Sin/O superlattice

    Directory of Open Access Journals (Sweden)

    S. Yu

    2016-11-01

    Full Text Available Silicon is a material which dominants the semiconductor industry and has a well-established processing technology based on it. However, silicon has an indirect-bandgap and is not efficient in light emitting. This limits its applications in optoelectronics. In this paper, we proposed a new structural model for the silicon-based superlattice, i.e., the Sin/O one. The model consists of alternating films of n-layers of Si and a monolayer of oxygen along z-direction, together with a surface cell of Si(001 (2×1 reconstruction in the x-y plane. The importance of employing such a Si(001 (2×1 reconstruction is that all the electrons at interface can be strongly bonded. Our results showed interesting electronic properties, e.g., the band folding and large band gap of bulk Si, when the thickness of the silicon layers was increased (but still thin. Our structure might also offer other interesting properties.

  17. Spines of the porcupine fish: Structure, composition, and mechanical properties.

    Science.gov (United States)

    Su, Frances Y; Bushong, Eric A; Deerinck, Thomas J; Seo, Kyungah; Herrera, Steven; Graeve, Olivia A; Kisailus, David; Lubarda, Vlado A; McKittrick, Joanna

    2017-09-01

    This paper explores the structure, composition, and mechanical properties of porcupine fish spines for the first time. The spine was found to be composed of nanocrystalline hydroxyapatite, protein (collagen), and water using X-ray diffraction, energy-dispersive X-ray spectroscopy, and thermogravimetric analysis. Microstructures have mineralized fibrillar sheets in the longitudinal direction and in a radial orientation in the transverse direction that were observed using light and electron microscopy. Based on the images, the hierarchical structure of the spine shows both concentric and radial reinforcement. Mechanical properties were obtained using cantilever beam and nanoindentation tests. A tapered cantilever beam model was developed and compared to that of a uniform cantilever beam. The tapered beam model showed that while the stresses experienced were similar to those of the uniform beam, the location of the maximum stress was near the distal region of the beam rather than at the base, which allows the porcupine fish to conserve energy and resources if the spine is fractured. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Habitat structure mediates biodiversity effects on ecosystem properties.

    Science.gov (United States)

    Godbold, J A; Bulling, M T; Solan, M

    2011-08-22

    Much of what we know about the role of biodiversity in mediating ecosystem processes and function stems from manipulative experiments, which have largely been performed in isolated, homogeneous environments that do not incorporate habitat structure or allow natural community dynamics to develop. Here, we use a range of habitat configurations in a model marine benthic system to investigate the effects of species composition, resource heterogeneity and patch connectivity on ecosystem properties at both the patch (bioturbation intensity) and multi-patch (nutrient concentration) scale. We show that allowing fauna to move and preferentially select patches alters local species composition and density distributions, which has negative effects on ecosystem processes (bioturbation intensity) at the patch scale, but overall positive effects on ecosystem functioning (nutrient concentration) at the multi-patch scale. Our findings provide important evidence that community dynamics alter in response to localized resource heterogeneity and that these small-scale variations in habitat structure influence species contributions to ecosystem properties at larger scales. We conclude that habitat complexity forms an important buffer against disturbance and that contemporary estimates of the level of biodiversity required for maintaining future multi-functional systems may need to be revised.

  19. Changes in the structural properties of peripheral nerves after transection.

    Science.gov (United States)

    Toby, E B; Meyer, B M; Schwappach, J; Alvine, G

    1996-11-01

    Changes in peripheral nerve structural properties after transection were measured weekly for 5 weeks in the distal stump of the sciatic nerve in 50 Sprague-Dawley rats. Each week after transection, the distal stump of the transected nerve showed increased stiffness when compared to intact nerves. Linear elastic stiffness reached a maximum at weeks 1 and 2 after transection, when the transected nerves were 15% stiffer than the contralateral control sides. Toughness was also increased and reached a maximum at week 4 with a 50% difference between values for experimental and control sides. Overall failure load was between 21% and 27% greater, peaking at week 3. An increase in stiffness of the distal stump would result in increased tension at the suture line, as the nerve gap is overcome when performing a delayed neurorraphy. These data suggest, with respect to structural properties, that an end-to-end repair should be carried out at the time of injury; after only 1 week, significant stiffness in the distal segment of the nerve developed, which should result in an increase in tension at the repair site.

  20. Mechanical properties and electronic structures of Fe-Al intermetallic

    Energy Technology Data Exchange (ETDEWEB)

    Liu, YaHui; Chong, XiaoYu; Jiang, YeHua, E-mail: jiangyehua@kmust.edu.cn; Zhou, Rong; Feng, Jing, E-mail: jingfeng@kmust.edu.cn

    2017-02-01

    Using the first-principles calculations, the elastic properties, anisotropy properties, electronic structures, Debye temperature and stability of Fe-Al (Fe{sub 3}Al, FeAl, FeAl{sub 2}, Fe{sub 2}Al{sub 5} and FeAl{sub 3}) binary compounds were calculated. The formation enthalpy and cohesive energy of these Fe-Al compounds are negative, and show they are thermodynamically stable structures. Fe{sub 2}Al{sub 5} has the lowest formation enthalpy, which shows the Fe{sub 2}Al{sub 5} is the most stable of Fe-Al binary compounds. These Fe-Al compounds display disparate anisotropy due to the calculated different shape of the 3D curved surface of the Young’s modulus and anisotropic index. Fe{sub 3}Al has the biggest bulk modulus with the value 233.2 GPa. FeAl has the biggest Yong’s modulus and shear modulus with the value 296.2 GPa and 119.8 GPa, respectively. The partial density of states, total density of states and electron density distribution maps of the binary Fe-Al binary compounds are analyzed. The bonding characteristics of these Fe-Al binary compounds are mainly combination by covalent bond and metallic bonds. Meanwhile, also exist anti-bond effect. Moreover, the Debye temperatures and sound velocity of these Fe-Al compounds are explored.