Atomistic Origins of High Capacity and High Structural Stability of Polymer-Derived SiOC Anode Materials.

Science.gov (United States)

Sun, Hong; Zhao, Kejie

2017-10-11

Capacity and structural stability are often mutually exclusive properties of electrodes in Li-ion batteries (LIBs): a gain in capacity is usually accompanied by the undesired large volumetric change of the host material upon lithiation. Polymer-derived ceramics, such as silicon oxycarbide (SiOC) of hybrid Si-O-C bonds, show an exceptional combination of high capacity and superior structural stability. We investigate the atomistic origins of the unique chemomechanical performance of carbon-rich SiOC using the first-principles theoretical approach. The atomic model of SiOC is composed of continuous Si-O-C units caged by a graphene-like cellular network and percolated nanovoids. The segregated sp 2 carbon network serves as the backbone to maintain the structural stability of the lattice. Li insertion is first absorbed at the nanovoid sites, and then it is accommodated by the SiOC tetrahedral units, excess C atoms, and topological defects at the edge of or within the segregated carbon network. SiOC expands up to 22% in volumetric strain at the fully lithiated capacity of 1230 mA h/g. We examine in great detail the evolution of the microscopic features of the SiOC molecule in the course of Li reactions. The first-principles modeling provides a fundamental understanding of the physicochemical properties of Si-based glass ceramics for their application in LIBs.

Stability patterns for a size-structured population model and its stage-structured counterpart

DEFF Research Database (Denmark)

Zhang, Lai; Pedersen, Michael; Lin, Zhigui

2015-01-01

In this paper we compare a general size-structured population model, where a size-structured consumer feeds upon an unstructured resource, to its simplified stage-structured counterpart in terms of equilibrium stability. Stability of the size-structured model is understood in terms of an equivale...... to the population level....

Stability of Bulk Metallic Glass Structure. Final Report

Energy Technology Data Exchange (ETDEWEB)

Jain, H.; Williams, D. B.

2003-06-01

The fundamental origins of the stability of the (Pd-Ni){sub 80}P{sub 20} bulk metallic glasses (BMGs), a prototype for a whole class of BMG formers, were explored. While much of the properties of their BMGs have been characterized, their glass-stability have not been explained in terms of the atomic and electronic structure. The local structure around all three constituent atoms was obtained, in a complementary way, using extended X-ray absorption fine structure (EXAFS), to probe the nearest neighbor environment of the metals, and extended energy loss fine structure (EXELFS), to investigate the environment around P. The occupied electronic structure was investigated using X-ray photoelectron spectroscopy (XPS). The (Pd-Ni){sub 80}P{sub 20} BMGs receive their stability from cumulative, and interrelated, effects of both atomic and electronic origin. The stability of the (Pd-Ni){sub 80}P{sub 20} BMGs can be explained in terms of the stability of Pd{sub 60}Ni{sub 20}P{sub 20} and Pd{sub 30}Ni{sub 50}P{sub 20}, glasses at the end of BMG formation. The atomic structure in these alloys is very similar to those of the binary phosphide crystals near x=0 and x=80, which are trigonal prisms of Pd or Ni atoms surrounding P atoms. Such structures are known to exist in dense, randomly-packed systems. The structure of the best glass former in this series, Pd{sub 40}Ni{sub 40}P{sub 20} is further described by a weighted average of those of Pd{sub 30}Ni{sub 50}P{sub 20} and Pd{sub 60}Ni{sub 20}P{sub 20}. Bonding states present only in the ternary alloys were found and point to a further stabilization of the system through a negative heat of mixing between Pd and Ni atoms. The Nagel and Tauc criterion, correlating a decrease in the density of states at the Fermi level with an increase in the glass stability, was consistent with greater stability of the Pd{sub x}Ni{sub 80-x}P{sub 20} glasses with respect to the binary alloys of P. A valence electron concentration of 1.8 e/a, which

Alternate superior Julia sets

International Nuclear Information System (INIS)

Yadav, Anju; Rani, Mamta

2015-01-01

Alternate Julia sets have been studied in Picard iterative procedures. The purpose of this paper is to study the quadratic and cubic maps using superior iterates to obtain Julia sets with different alternate structures. Analytically, graphically and computationally it has been shown that alternate superior Julia sets can be connected, disconnected and totally disconnected, and also fattier than the corresponding alternate Julia sets. A few examples have been studied by applying different type of alternate structures

Uniform Fe3O4 microflowers hierarchical structures assembled with porous nanoplates as superior anode materials for lithium-ion batteries

DEFF Research Database (Denmark)

Wang, Xiaoliang; Liu, Yanguo; Arandiyan, Hamidreza

2016-01-01

as anode material for lithium-ion batteries, the as-prepared Fe3O4 microflowers electrodes delivered superior capacity, better cycling stability and rate capability than that of Fe3O4 microspheres electrodes. The improved electrochemical performance was attributed to the microscale flowerlike architecture...

Polyhydroxy surfactants for the formulation of lipid nanoparticles (SLN and NLC): effects on size, physical stability and particle matrix structure.

Science.gov (United States)

Kovacevic, A; Savic, S; Vuleta, G; Müller, R H; Keck, C M

2011-03-15

The two polyhydroxy surfactants polyglycerol 6-distearate (Plurol(®)Stearique WL1009 - (PS)) and caprylyl/capryl glucoside (Plantacare(®) 810 - (PL)) are a class of PEG-free stabilizers, made from renewable resources. They were investigated for stabilization of aqueous solid lipid nanoparticle (SLN) and nanostructured lipid carrier (NLC) dispersions. Production was performed by high pressure homogenization, analysis by photon correlation spectroscopy (PCS), laser diffraction (LD), zeta potential measurements and differential scanning calorimetry (DSC). Particles were made from Cutina CP as solid lipid only (SLN) and its blends with Miglyol 812 (NLC, the blends containing increasing amounts of oil from 20% to 60%). The obtained particle sizes were identical for both surfactants, about 200 nm with polydispersity indices below 0.20 (PCS), and unimodal size distribution (LD). All dispersions with both surfactants were physically stable for 3 months at room temperature, but Plantacare (PL) showing a superior stability. The melting behaviour and crystallinity of bulk lipids/lipid blends were compared to the nanoparticles. Both were lower for the nanoparticles. The crystallinity of dispersions stabilized with PS was higher, the zeta potential decreased with storage time associated with this higher crystallinity, and leading to a few, but negligible larger particles. The lower crystallinity particles stabilized with PL remained unchanged in zeta potential (about -50 mV) and in size. These data show that surfactants have a distinct influence on the particle matrix structure (and related stability and drug loading), to which too little attention was given by now. Despite being from the same surfactant class, the differences on the structure are pronounced. They are attributed to the hydrophobic-lipophilic tail structure with one-point anchoring in the interface (PL), and the loop conformation of PS with two hydrophobic anchor points, i.e. their molecular structure and its

Stability and the structure of continuous-time economic models

NARCIS (Netherlands)

Nieuwenhuis, H.J.; Schoonbeek, L.

In this paper we investigate the relationship between the stability of macroeconomic, or macroeconometric, continuous-time models and the structure of the matrices appearing in these models. In particular, we concentrate on dominant-diagonal structures. We derive general stability results for models

Structure of Dynamic, Taxol-Stabilized, and GMPPCP-Stabilized Microtubule.

Science.gov (United States)

Ginsburg, Avi; Shemesh, Asaf; Millgram, Abigail; Dharan, Raviv; Levi-Kalisman, Yael; Ringel, Israel; Raviv, Uri

2017-09-14

Microtubule (MT) is made of αβ-tubulin heterodimers that dynamically assemble into a hollow nanotube composed of straight protofilaments. MT dynamics is facilitated by hydrolysis of guanosine-5'-triphosphate (GTP) and can be inhibited by either anticancer agents like taxol or the nonhydrolyzable GTP analogues like GMPPCP. Using high-resolution synchrotron X-ray scattering, we have measured and analyzed the scattering curves from solutions of dynamic MT (in other words, in the presence of excess GTP and free of dynamic-inhibiting agents) and examined the effect of two MT stabilizers: taxol and GMPPCP. Previously, we have analyzed the structure of dynamic MT by docking the atomic model of tubulin dimer onto a 3-start left handed helical lattice, derived from the PDB ID 3J6F . 3J6F corresponds to a MT with 14 protofilaments. In this paper, we took into account the possibility of having MT structures containing between 12 and 15 protofilaments. MTs with 12 protofilaments were never observed. We determined the radii, the pitch, and the distribution of protofilament number that best fit the scattering data from dynamic MT or stabilized MT by taxol or GMPPCP. We found that the protofilament number distribution shifted when the MT was stabilized. Taxol increased the mass fraction of MT with 13 protofilaments and decreased the mass fraction of MT with 14 protofilaments. GMPPCP reduced the mass fraction of MT with 15 protofilaments and increased the mass fraction of MT with 14 protofilaments. The pitch, however, remained unchanged regardless of whether the MT was dynamic or stabilized. Higher tubulin concentrations increased the fraction of dynamic MT with 14 protofilaments.

Insulin structure and stability.

Science.gov (United States)

Brange, J; Langkjoer, L

1993-01-01

Insulin is composed of 51 amino acids in two peptide chains (A and B) linked by two disulfide bonds. The three-dimensional structure of the insulin molecule (insulin monomer), essentially the same in solution and in solid phase, exists in two main conformations. These differ in the extent of helix in the B chain which is governed by the presence of phenol or its derivatives. In acid and neutral solutions, in concentrations relevant for pharmaceutical formulation, the insulin monomer assembles to dimers and at neutral pH, in the presence of zinc ions, further to hexamers. Many crystalline modifications of insulin have been identified but only those with the hexamer as the basic unit are utilized in preparations for therapy. The insulin hexamer forms a relatively stable unit but some flexibility remains within the individual molecules. The intrinsic flexibility at the ends of the B chain plays an important role in governing the physical and chemical stability of insulin. A variety of chemical changes of the primary structure (yielding insulin derivatives), and physical modifications of the secondary to quaternary structures (resulting in "denaturation," aggregation, and precipitation) are known to affect insulin and insulin preparations during storage and use (Fig. 8). The tendency of insulin to undergo structural transformation resulting in aggregation and formation of insoluble insulin fibrils has been one of the most intriguing and widely studied phenomena in relation to insulin stability. Although the exact mechanism of fibril formation is still obscure, it is now clear that the initial step is an exposure of certain hydrophobic residues, normally buried in the three-dimensional structure, to the surface of the insulin monomer. This requires displacement of the COOH-terminal B-chain residues from their normal position which can only be accomplished via monomerization of the insulin. Therefore, most methods stabilizing insulin against fibrillation share the

Phase stability and electronic structure of transition-metal aluminides

International Nuclear Information System (INIS)

Carlsson, A.E.

1992-01-01

This paper will describe the interplay between die electronic structure and structural energetics in simple, complex, and quasicrystalline Al-transition metal (T) intermetallics. The first example is the Ll 2 -DO 22 competition in Al 3 T compounds. Ab-initio electronic total-energy calculations reveal surprisingly large structural-energy differences, and show that the phase stability of both stoichiometric and ternary-substituted compounds correlates closely with a quasigap in the electronic density of states (DOS). Secondly, ab-initio calculations for the structural stability of the icosahedrally based Al 12 W structure reveal similar quasigap effects, and provide a simple physical explanation for the stability of the complex aluminide structures. Finally, parametrized tight-binding model calculations for the Al-Mn quasicrystal reveal a large spread in the local Mn DOS behavior, and support a two-site model for the quasicrystal's magnetic behavior

Unifying dynamical and structural stability of equilibria

Science.gov (United States)

Arnoldi, Jean-François; Haegeman, Bart

2016-09-01

We exhibit a fundamental relationship between measures of dynamical and structural stability of linear dynamical systems-e.g. linearized models in the vicinity of equilibria. We show that dynamical stability, quantified via the response to external perturbations (i.e. perturbation of dynamical variables), coincides with the minimal internal perturbation (i.e. perturbations of interactions between variables) able to render the system unstable. First, by reformulating a result of control theory, we explain that harmonic external perturbations reflect the spectral sensitivity of the Jacobian matrix at the equilibrium, with respect to constant changes of its coefficients. However, for this equivalence to hold, imaginary changes of the Jacobian's coefficients have to be allowed. The connection with dynamical stability is thus lost for real dynamical systems. We show that this issue can be avoided, thus recovering the fundamental link between dynamical and structural stability, by considering stochastic noise as external and internal perturbations. More precisely, we demonstrate that a linear system's response to white-noise perturbations directly reflects the intensity of internal white-noise disturbance that it can accommodate before becoming stochastically unstable.

Micropore Structure of Cement-Stabilized Gold Mine Tailings

Directory of Open Access Journals (Sweden)

Joon Kyu Lee

2018-03-01

Full Text Available Mine tailings have often to be stabilized by mixing them with cementing agents. In this study, the pore structure of gold tailings stabilized with Portland cement was evaluated by means of mercury intrusion porosimetry. The investigation was conducted on samples prepared with different fractions of tailings and cement as well as on samples activated with elevated temperature curing and chemical (CaCl2 addition. It was observed that all mixed samples exhibit a mono-modal pore size distribution, indicating that the cement-stabilized tailings are characterized by a single-porosity structure. The results also showed that the higher fraction of tailings and cement leads to a dense and finer pore structure. The total porosity of mixture samples decreases with increasing curing temperature and CaCl2 concentration due to the acceleration of hydration reaction.

Facile synthesis of core–shell structured PANI-Co_3O_4 nanocomposites with superior electrochemical performance in supercapacitors

International Nuclear Information System (INIS)

Hai, Zhenyin; Gao, Libo; Zhang, Qiang; Xu, Hongyan; Cui, Danfeng; Zhang, Zengxing; Tsoukalas, Dimitris; Tang, Jun; Yan, Shubin; Xue, Chenyang

2016-01-01

Graphical abstract: - Highlights: • PANI-Co_3O_4 is synthesized by carbon-assisted and in situ polymerization methods. • PANI coating improves the properties of Co_3O_4 affecting electrochemical performance. • The nanocomposites exhibit a high specific capacitance of 1184 F g"−"1 at 1.25 A g"−"1. - Abstract: Core–shell structured PANI-Co_3O_4 nanocomposites for supercapacitor applications were synthesized by combination of carbon-assisted method and in situ polymerization method. The crystalline structure, optical band gap, morphology, and hydrophilic property, as the major factors affecting the performances of supercapacitors, were investigated by X-ray diffraction (XRD), UV–vis spectrophotometry (UV–vis), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and water contact angle (WCA). The core–shell structured PANI-Co_3O_4 nanocomposites are characterized by amorphous PANI, small bandgaps, large surface area and favorable hydrophilicity, which indicates the superior electrochemical performances of the nanocomposites as electrode material for supercapacitors. Cyclic voltammetry (CV), galvanostatic charge/discharge and electrochemical impedance spectroscopy (EIS) measurements were conducted in 6 M KOH aqueous solution to evaluate the electrochemical performances. The results shows that core–shell structured PANI-Co_3O_4 nanocomposites exhibit a high specific capacitance of 1184 F g"−"1 at 1.25 A g"−"1, excellent cycling stability of a capacitance retention of 84.9% after 1000 galvanostatic charge/discharge cycles, good electrical conductivity and ion diffusion behavior.

High-performance hybrid pervaporation membranes with superior hydrothermal and acid stability

Energy Technology Data Exchange (ETDEWEB)

Castricum, H.L. [Inorganic Materials Science, MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Blank, D.H.A.; Ten Elshof, J.E. [Van ' t Hoff Institute for Molecular Sciences, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam (Netherlands); Kreiter, R.; Van Veen, H.M.; Vente, J.F. [ECN Efficiency and Infrastructure, Petten (Netherlands)

2009-05-15

A new organic-inorganic hybrid membrane has been prepared with exceptional performance in dewatering applications. The only precursor used in the sol-gel synthesis of the selective layer was organically linked 1,2-bis(triethoxysilyl)ethane (BTESE). The microporous structure of this layer enables selective molecular sieving of small molecules from larger ones. In the dehydration of n-butanol with 5% of water, the membrane shows a high separation factor of over 4000 and ultra-fast water transport at a rate of more than 20 kg m{sup -2} h{sup -1} at 150C. This can be related to the high adsorption capacity of the material and the sub-micron thickness of the selective layer. The selectivity has now remained constant over almost one and a half years under continuous process testing conditions. Apart from the hydrothermal stability, the membrane exhibits a high tolerance for acid contamination. A slow performance decline in flux and separation factor is only observed at a pH lower than 2. The high stability and effective separation indicate a broad industrial application potential of the hybrid membrane material.

Atomistic mechanisms governing structural stability change of zinc antimony thermoelectrics

Energy Technology Data Exchange (ETDEWEB)

Yang, Xiaolong [Frontier Institute of Science and Technology, Xi' an Jiaotong University, Xi' an 710054 (China); Lin, Jianping, E-mail: jaredlin@163.com [School of Materials Science and Engineering, Xiamen University of Technology, Xiamen 361024 (China); Qiao, Guanjun [State Key Laboratory for Mechanical Behavior of Materials, Xi' an Jiaotong University, Xi' an 710049 (China); Wang, Zhao, E-mail: zwangzhao@gmail.com [Frontier Institute of Science and Technology, Xi' an Jiaotong University, Xi' an 710054 (China); State Key Laboratory for Mechanical Behavior of Materials, Xi' an Jiaotong University, Xi' an 710049 (China)

2015-01-05

The structural stability of thermoelectric materials is a subject of growing importance for their energy harvesting applications. Here, we study the microscopic mechanisms governing the structural stability change of zinc antimony at its working temperature, using molecular dynamics combined with experimental measurements of the electrical and thermal conductivity. Our results show that the temperature-dependence of the thermal and electrical transport coefficients is strongly correlated with a structural transition. This is found to be associated with a relaxation process, in which a group of Zn atoms migrates between interstitial sites. This atom migration gradually leads to a stabilizing structural transition of the entire crystal framework, and then results in a more stable crystal structure of β–Zn{sub 4}Sb{sub 3} at high temperature.

Advances in Computational Stability Analysis of Composite Aerospace Structures

International Nuclear Information System (INIS)

Degenhardt, R.; Araujo, F. C. de

2010-01-01

European aircraft industry demands for reduced development and operating costs. Structural weight reduction by exploitation of structural reserves in composite aerospace structures contributes to this aim, however, it requires accurate and experimentally validated stability analysis of real structures under realistic loading conditions. This paper presents different advances from the area of computational stability analysis of composite aerospace structures which contribute to that field. For stringer stiffened panels main results of the finished EU project COCOMAT are given. It investigated the exploitation of reserves in primary fibre composite fuselage structures through an accurate and reliable simulation of postbuckling and collapse. For unstiffened cylindrical composite shells a proposal for a new design method is presented.

Effects of Ecohydraulic Bank Stabilization Structures on Bank Stability and Macroinvertebrate Community in Surabaya River

Directory of Open Access Journals (Sweden)

Daru Setyo Rini

2018-01-01

Full Text Available There were 18 accelerated erosion sites identified along 7 km of Surabaya River Fishery Sanctuary Area. A model of ecohydraulic bank stabilization was applied to reduce bank erosion in Surabaya River at Gresik Regency Indonesia. The model is combination of reprofiled and revegetated bank with rock toe reinforcement and  addition of log groynes. Various native plant species were planted and naturally grown to establish multi-strata littoral vegetation structure. This study assessed effects of ecohydraulic bank stabilization on bank morphology, near bank velocity and littoral macroinvertebrate community during September 2014 to August 2016. The study found that rock toe enforcement, log groynes and reprofiled bank slope could stabilized the eroded bank, and littoral vegetation formation reduced near bank velocity at restored sites. There were 31 families of macroinvertebrate found in Surabaya River with high abundance of moderately pollution sensitive taxa Atyidae and pollution tolerant taxa Corixidae, Chironomidae and Tubificidae. The taxa richness, diversity index and abundance of sensitive and moderately sensitive macroinvertebrate group were increased after application of ecohydraulic bank stabilization at restored area. The results shown that ecohydraulic bank stabilization structure provides multi-benefits in improving bank stabilization against erosion and providing new micro-habitats for biotic community. Keywords:  ecohydraulic bank stabilization, macroinvertebrates, riparian restoration

Structure stability index allocation theory and measurement of laser prototype facility

International Nuclear Information System (INIS)

Zhang Junwei; China Academy of Engineering Physics, Mianyang; Zhou Hai; Feng Bin; Lin Donghui; Jing Feng; Zhou Yi; Wang Shilong

2008-01-01

Structure stability is an important design index of ICF driver. Based on laser prototype facility(TIL) design characteristic of multi-pass amplifier and frame structure, the optical matrix is used to analyze the single optical element influence on the beam drift and get the mathematic model. Considering all the optical elements influence on the beam drift, the mathematic model of the optical element stability index allocation is built, the parameter relation of the mathematic model is defined according to the structure characteristic of TIL, the stability index of each optical element is got as the support structure design index. Charge-coupled device(CCD) detect technology is used to measure the general beam stability of TIL. The root mean square beam drift in x and y direction are 2.78 μm, the difference between peak and valley values are 14.4 μm and 15.60 μm, respectively. The result indicates that the stability drift of the prototype facility can satisfy the design requirement, the way of the stability allocation is reasonable. (authors)

Stabilization and structural adjustment in Mozambique

DEFF Research Database (Denmark)

Tarp, Finn; Arndt, Channing; Jensen, Henning Tarp

2000-01-01

This paper outlines the complex historical legacy and structural adjustment efforts in Mozambique in addition to reviewing recent economic developments. An in-depth analysis of new and more reliable national accounts data show that macroeconomic stabilization has occurred through recovery from...

Early structure of LPG partially premixed conically stabilized flames

KAUST Repository

Elbaz, Ayman M.

2013-01-01

This paper presents experimental investigation of LPG partially premixed turbulent flames stabilized within a conical nozzle burner under constant degree of partial premixing. The stability limits and mean flame structure are presented based

Interface stability of granular filter structures under currents

NARCIS (Netherlands)

Verheij, H.J.; Hoffmans, G.; Dorst, K.; Van de Sande, S.

2012-01-01

Granular filters are used for protection of structures against scour and erosion. For a proper functioning it is necessary that the interfaces between the filter structure, the subsoil and the water flowing above the filter structure are stable. Stability means that there is no transport of subsoil

Structural Stability of Low-Crested Breakwaters

DEFF Research Database (Denmark)

Kramer, Morten

equations. New improved design formulae for calculation of static stability of LCS's are developed on the basis of new 2D and 3D laboratory experiments with scale models. The formulae are specially designed for breakwaters subject to shallow water waves and/or depth limited waves, as the majority...... of existing LCS’s are exposed to such conditions. The formulae are validated against prototype experience. Ecological aspects in relation to structural stability are important, and design guidance on how to consider ecology in the design is therefore given. The new design guidance adds practical and helpful...

DNA secondary structures: stability and function of G-quadruplex structures

Science.gov (United States)

Bochman, Matthew L.; Paeschke, Katrin; Zakian, Virginia A.

2013-01-01

In addition to the canonical double helix, DNA can fold into various other inter- and intramolecular secondary structures. Although many such structures were long thought to be in vitro artefacts, bioinformatics demonstrates that DNA sequences capable of forming these structures are conserved throughout evolution, suggesting the existence of non-B-form DNA in vivo. In addition, genes whose products promote formation or resolution of these structures are found in diverse organisms, and a growing body of work suggests that the resolution of DNA secondary structures is critical for genome integrity. This Review focuses on emerging evidence relating to the characteristics of G-quadruplex structures and the possible influence of such structures on genomic stability and cellular processes, such as transcription. PMID:23032257

Structural amorphous steels

International Nuclear Information System (INIS)

Lu, Z.P.; Liu, C.T.; Porter, W.D.; Thompson, J.R.

2004-01-01

Recent advancement in bulk metallic glasses, whose properties are usually superior to their crystalline counterparts, has stimulated great interest in fabricating bulk amorphous steels. While a great deal of effort has been devoted to this field, the fabrication of structural amorphous steels with large cross sections has remained an alchemist's dream because of the limited glass-forming ability (GFA) of these materials. Here we report the discovery of structural amorphous steels that can be cast into glasses with large cross-section sizes using conventional drop-casting methods. These new steels showed interesting physical, magnetic, and mechanical properties, along with high thermal stability. The underlying mechanisms for the superior GFA of these materials are discussed

Early structure of LPG partially premixed conically stabilized flames

KAUST Repository

Elbaz, Ayman M.

2013-01-01

This paper presents experimental investigation of LPG partially premixed turbulent flames stabilized within a conical nozzle burner under constant degree of partial premixing. The stability limits and mean flame structure are presented based on the mean gas temperature and the concentration of CO, O 2, NO, and HC at the flame early region of reaction. The investigation covered the influence of the nozzle cone angle, the jet exit velocity and the jet equivalence ratio. The stability results show that the flames with cone are more stable than those without cone. For conical stabilized flames, the stability results exhibit three different sensitivity regions between the jet velocity and equivalence ratio. The inflame measurements prove that the flame stability could be attributed to the triple flame structure at the flame leading edge. The data show that the triple flame structure is influenced by cone angle, the jet velocity and the equivalence ratio. The flame is believed to be controlled by the recirculation flow inside the cone. Increasing the cone angle induced higher air entrainment to the reaction zone as depicted by a higher O 2 concentration within the flame leading edge. Increasing the jet velocity to a certain limit enhances the intensity of combustion at the flame leading edge, while excessive increase in jet velocity reduces this intensity. At a fixed jet velocity the higher the equivalence ratio, the higher the amount of fuel diffused and engulfed to the reaction zone, the more delay of the combustion completion and the higher the emission concentrations of the flame. © 2012 Elsevier Inc.

Stability, structure and scale: improvements in multi-modal vessel extraction for SEEG trajectory planning.

Science.gov (United States)

Zuluaga, Maria A; Rodionov, Roman; Nowell, Mark; Achhala, Sufyan; Zombori, Gergely; Mendelson, Alex F; Cardoso, M Jorge; Miserocchi, Anna; McEvoy, Andrew W; Duncan, John S; Ourselin, Sébastien

2015-08-01

Brain vessels are among the most critical landmarks that need to be assessed for mitigating surgical risks in stereo-electroencephalography (SEEG) implantation. Intracranial haemorrhage is the most common complication associated with implantation, carrying significantly associated morbidity. SEEG planning is done pre-operatively to identify avascular trajectories for the electrodes. In current practice, neurosurgeons have no assistance in the planning of electrode trajectories. There is great interest in developing computer-assisted planning systems that can optimise the safety profile of electrode trajectories, maximising the distance to critical structures. This paper presents a method that integrates the concepts of scale, neighbourhood structure and feature stability with the aim of improving robustness and accuracy of vessel extraction within a SEEG planning system. The developed method accounts for scale and vicinity of a voxel by formulating the problem within a multi-scale tensor voting framework. Feature stability is achieved through a similarity measure that evaluates the multi-modal consistency in vesselness responses. The proposed measurement allows the combination of multiple images modalities into a single image that is used within the planning system to visualise critical vessels. Twelve paired data sets from two image modalities available within the planning system were used for evaluation. The mean Dice similarity coefficient was 0.89 ± 0.04, representing a statistically significantly improvement when compared to a semi-automated single human rater, single-modality segmentation protocol used in clinical practice (0.80 ± 0.03). Multi-modal vessel extraction is superior to semi-automated single-modality segmentation, indicating the possibility of safer SEEG planning, with reduced patient morbidity.

Structural Stability Of Detached Low Crested Breakwaters

DEFF Research Database (Denmark)

Burcharth, Hans F.; Kramer, Morten; Lamberti, Alberto

2006-01-01

The aim of the paper is to describe hydraulic stability of rock-armoured low-crested structures on the basis of new experimental tests and prototype observations. Rock armour stability results from earlier model tests under non-depth-limited long-crested head-on waves are reviewed. Results from new...... determining armour stone size in shallow water conditions is given together with a rule of thumb for the required stone size in depth-limited design waves. Rock toe stability is discussed on the basis of prototype experience, hard bottom 2-D tests in depth-limited waves and an existing hydraulic stability...... formula. Toe damage predicted by the formula is in agreement with experimental results. In field sites, damage at the toe induced by scour or by sinking is observed and the volume of the berm is often insufficient to avoid regressive erosion of the armour layer. Stone sinking and settlement in selected...

Structure and stability of spiro-cyclic water clusters

Indian Academy of Sciences (India)

Administrator

Abstract. The structure and stability of spiro-cyclic water clusters containing up to 32 water molecules have been ... due to its importance in various real life systems. 1–8. High level ... It is well-known from the crystal structure data- base that the ...

Structural stability of DNA origami nanostructures in the presence of chaotropic agents.

Science.gov (United States)

Ramakrishnan, Saminathan; Krainer, Georg; Grundmeier, Guido; Schlierf, Michael; Keller, Adrian

2016-05-21

DNA origami represent powerful platforms for single-molecule investigations of biomolecular processes. The required structural integrity of the DNA origami may, however, pose significant limitations regarding their applicability, for instance in protein folding studies that require strongly denaturing conditions. Here, we therefore report a detailed study on the stability of 2D DNA origami triangles in the presence of the strong chaotropic denaturing agents urea and guanidinium chloride (GdmCl) and its dependence on concentration and temperature. At room temperature, the DNA origami triangles are stable up to at least 24 h in both denaturants at concentrations as high as 6 M. At elevated temperatures, however, structural stability is governed by variations in the melting temperature of the individual staple strands. Therefore, the global melting temperature of the DNA origami does not represent an accurate measure of their structural stability. Although GdmCl has a stronger effect on the global melting temperature, its attack results in less structural damage than observed for urea under equivalent conditions. This enhanced structural stability most likely originates from the ionic nature of GdmCl. By rational design of the arrangement and lengths of the individual staple strands used for the folding of a particular shape, however, the structural stability of DNA origami may be enhanced even further to meet individual experimental requirements. Overall, their high stability renders DNA origami promising platforms for biomolecular studies in the presence of chaotropic agents, including single-molecule protein folding or structural switching.

Stabilized quasi-Newton optimization of noisy potential energy surfaces

Energy Technology Data Exchange (ETDEWEB)

Schaefer, Bastian; Goedecker, Stefan, E-mail: stefan.goedecker@unibas.ch [Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland); Alireza Ghasemi, S. [Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, IR-Zanjan (Iran, Islamic Republic of); Roy, Shantanu [Computational and Systems Biology, Biozentrum, University of Basel, CH-4056 Basel (Switzerland)

2015-01-21

Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or thousands of minimizations or saddle computations. To automatize these tasks, optimization algorithms must not only be efficient but also very reliable. Unfortunately, computational noise in forces and energies is inherent to electronic structure codes. This computational noise poses a severe problem to the stability of efficient optimization methods like the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. We here present a technique that allows obtaining significant curvature information of noisy potential energy surfaces. We use this technique to construct both, a stabilized quasi-Newton minimization method and a stabilized quasi-Newton saddle finding approach. We demonstrate with the help of benchmarks that both the minimizer and the saddle finding approach are superior to comparable existing methods.

Stabilized quasi-Newton optimization of noisy potential energy surfaces

International Nuclear Information System (INIS)

Schaefer, Bastian; Goedecker, Stefan; Alireza Ghasemi, S.; Roy, Shantanu

2015-01-01

Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or thousands of minimizations or saddle computations. To automatize these tasks, optimization algorithms must not only be efficient but also very reliable. Unfortunately, computational noise in forces and energies is inherent to electronic structure codes. This computational noise poses a severe problem to the stability of efficient optimization methods like the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. We here present a technique that allows obtaining significant curvature information of noisy potential energy surfaces. We use this technique to construct both, a stabilized quasi-Newton minimization method and a stabilized quasi-Newton saddle finding approach. We demonstrate with the help of benchmarks that both the minimizer and the saddle finding approach are superior to comparable existing methods

Facile fabrication of graphene/nickel oxide composite with superior supercapacitance performance by using alcohols-reduced graphene as substrate

International Nuclear Information System (INIS)

Deng, Peng; Zhang, Haiyan; Chen, Yiming; Li, Zhenghui; Huang, Zhikun; Xu, Xingfa; Li, Yunyong; Shi, Zhicong

2015-01-01

Highlights: • G/NiO was synthesized by using alcohols-reduced graphene as substrate. • G/NiO presents a globule-on-sheet structure and reveals a synergistic effect. • G/NiO displays high specific capacitance and superior cycling stability. - Abstract: Graphene/nickel oxide composite (G/NiO) was synthesized through a facile hydrothermal method and subsequently microwave thermal treatment by using alcohols-reduced graphene as substrate. The as-prepared G/NiO was characterized by X-ray diffraction, Raman spectra, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscope and transmission electron microscope. The results indicate that the graphene oxide has been successfully reduced to graphene, and NiO nanoparticles are homogeneous anchored on the surface of graphene, forming a globule-on-sheet structure. The loading content of NiO nanoparticles anchoring on the surface of graphene nanosheets can be controlled by adjusting the hydrothermal temperature. The G/NiO displays superior electrochemical performance with a specific capacitance of 530 F g −1 at 1 A g −1 in 2 M of NaOH. After 5000 cycles, the supercapacitor still maintains a specific capacitance of 490 F g −1 (92% retention of the initial capacity), exhibiting excellent cycling stability

Uniform Fe{sub 3}O{sub 4} microflowers hierarchical structures assembled with porous nanoplates as superior anode materials for lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Wang, Xiaoliang [Institute of Electrostatic & Electromagnetic Protection, Mechanical Engineering College, Shijiazhuang 050003 (China); Liu, Yanguo [School of Resources and Materials, Northeastern University at Qinhuangdao, Qinhuangdao 066004 (China); Arandiyan, Hamidreza [Particles and Catalysis Research Group, School of Chemical Engineering, The University of New South Wales, Sydney, New South Wales 2052 (Australia); Yang, Hongping; Bai, Lu; Mujtaba, Jawayria [Beijing National Center for Electron Microscopy, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Wang, Qingguo; Liu, Shanghe [Institute of Electrostatic & Electromagnetic Protection, Mechanical Engineering College, Shijiazhuang 050003 (China); Sun, Hongyu, E-mail: hyltsun@gmail.com [Beijing National Center for Electron Microscopy, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Department of Micro- and Nanotechnology, Technical University of Denmark, 2800 Kongens Lyngby (Denmark)

2016-12-15

Highlights: • Uniform Fe{sub 3}O{sub 4} microflowers hierarchical structures were successfully prepared. • The Fe{sub 3}O{sub 4} microflowers are assembled with porous nanoplates. • Hollow Fe{sub 3}O{sub 4} microspheres exhibit better lithium storage properties than Fe{sub 3}O{sub 4} microspheres. • The good lithium storage properties are attributed to the special structural nature. - Abstract: Uniform Fe{sub 3}O{sub 4} microflowers assembled with porous nanoplates were successfully synthesized by a solvothermal method and subsequent annealing process. The structural and compositional analysis of the Fe{sub 3}O{sub 4} microflowers were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The Bruauer–Emmett–Teller (BET) specific surface area was calculated by the nitrogen isotherm curve and pore size distribution of Fe{sub 3}O{sub 4} microflowers was determined by the Barret–Joyner–Halenda (BJH) method. When evaluated as anode material for lithium-ion batteries, the as-prepared Fe{sub 3}O{sub 4} microflowers electrodes delivered superior capacity, better cycling stability and rate capability than that of Fe{sub 3}O{sub 4} microspheres electrodes. The improved electrochemical performance was attributed to the microscale flowerlike architecture and the porous sheet structural nature.

On Robust Stability of Differential-Algebraic Equations with Structured Uncertainty

Directory of Open Access Journals (Sweden)

A. Kononov

2018-03-01

Full Text Available We consider a linear time-invariant system of differential-algebraic equations (DAE, which can be written as a system of ordinary differential equations with non-invertible coefficients matrices. An important characteristic of DAE is the unsolvability index, which reflects the complexity of the internal structure of the system. The question of the asymptotic stability of DAE containing the uncertainty given by the matrix norm is investigated. We consider a perturbation in the structured uncertainty case. It is assumed that the initial nominal system is asymptotically stable. For the analysis, the original equation is reduced to the structural form, in which the differential and algebraic subsystems are separated. This structural form is equivalent to the input system in the sense of coincidence of sets of solutions, and the operator transforming the DAE into the structural form possesses the inverse operator. The conversion to structural form does not use a change of variables. Regularity of matrix pencil of the source equation is the necessary and sufficient condition of structural form existence. Sufficient conditions have been obtained that perturbations do not break the internal structure of the nominal system. Under these conditions robust stability of the DAE with structured uncertainty is investigated. Estimates for the stability radius of the perturbed DAE system are obtained. The text of the article is from the simpler case, in which the perturbation is present only for an unknown function, to a more complex one, under which the perturbation is also present in the derivative of the unknown function. We used values of the real and the complex stability radii of explicit ordinary differential equations for obtaining the results. We consider the example illustrating the obtained results.

Superiority: China Mobile in the competition

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

The market share between China Mobile and China Unicom has stabilized since 2002.It is found that China Mobile has the superiority in the competition, for example, the scissors movement between its revenue and cost indicates that it has a strong profit generating ability and there is enough room for it to reduce the price.The ratio between its price (marginal income) and marginal cost indicates that there is a very distant limit for it to reduce the price.Its demand is obviously flexible with the price, but it does not use the price weapon abundantly.The reason for the stabilization of the market is that China Mobile withdrew from the competition.

Improved Stability of Tuberculosis Drug Fixed-Dose Combination Using Isoniazid-Caffeic Acid and Vanillic Acid Cocrystal.

Science.gov (United States)

Battini, Swapna; Mannava, M K Chaitanya; Nangia, Ashwini

2018-06-01

The classic fixed-dose combination (FDC) of 4 tuberculosis drugs, namely rifampicin (RIF), isoniazid (INH), pyrazinamide (PZA), and ethambutol dihydrochloride (EDH) has the twin issues of physical stability and RIF cross-reaction in the 4-FDC. The major reason for these quality issues is the interaction between RIF and INH to yield isonicotinyl hydrazone in drug tablets. Pharmaceutical cocrystals of INH with caffeic acid (CFA) (PZA + EDH + RIF + INH-CFA cocrystal) and vanillic acid (VLA) (PZA + EDH + RIF + INH-VLA cocrystal) are able to stabilize the FDC formulation compared with the reference batch (PZA + EDH + RIF + INH). Stability studies under accelerated humidity and temperature stress conditions of 40°C and 75% relative humidity showed that the physical stability of the cocrystal formulation was superior by powder X-ray diffraction and scanning electron microscopy analysis, and chemical purity was analyzed by high-performance liquid chromatography. Changes in the composition and structure were monitored on samples drawn at 7, 15, 22, and 30 days of storage. FDC-INH-CFA cocrystal batch exhibited greater stability compared with FDC-INH-VLA cocrystal and FDC reference drug batches. The superior stability of INH-CFA cocrystal is attributed to the presence of stronger hydrogen bonds and cyclic O-H⋯O synthon in the crystal structure. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

The crystal structure and stability of molybdenum at ultrahigh pressures

International Nuclear Information System (INIS)

Jona, F; Marcus, P M

2005-01-01

Crystal structures and their stabilities for molybdenum under increasing hydrostatic pressures are investigated by first-principles calculations of the Gibbs free energy. Three structures are considered: body-centred cubic (bcc, the ground state at zero pressure), hexagonal close-packed (hcp) and face-centred cubic (fcc). For each structure and each pressure (up to 8 Mbar) the equilibrium states are found from minima of the Gibbs free energy at zero temperature. The stability is tested by calculating the elastic constants and checking whether they satisfy the appropriate stability conditions. The bcc structure is confirmed to be stable at zero pressure and at 6 Mbar. At and above 6.2 M-bar the ground-state structure changes to hcp, which is found to be stable at 7 M-bar. At 7.7 Mbar another transition occurs, and the ground-state structure changes from hcp to fcc. The fcc structure, which is unstable at zero pressure, becomes metastable over the range from 3 to 7.7 M-bar and becomes the ground state at higher pressures (at least up to 8 Mbar). Direct confirmation of these calculated transition pressures with experiment is not now possible, as the maximum static pressure currently reached experimentally is 5.6 Mbar, where Mo is found to be still in the bcc phase

Facile synthesis of core–shell structured PANI-Co{sub 3}O{sub 4} nanocomposites with superior electrochemical performance in supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Hai, Zhenyin [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China); Gao, Libo [Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Hong Kong SAR, Kowloon 999077 (Hong Kong); Zhang, Qiang [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China); Xu, Hongyan [School of Materials Science and Engineering, North University of China, Taiyuan, Shanxi 030051 (China); Cui, Danfeng; Zhang, Zengxing [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China); Tsoukalas, Dimitris [Department of Applied Physics, National Technical University of Athens, Zografou GR-15780 (Greece); Tang, Jun; Yan, Shubin [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China); Xue, Chenyang, E-mail: xuechenyang@nuc.edu.cn [Key Laboratory of Instrumentation and Dynamic Measurement of Ministry of Education, North University of China, Taiyuan, Shanxi 030051 (China)

2016-01-15

Graphical abstract: - Highlights: • PANI-Co{sub 3}O{sub 4} is synthesized by carbon-assisted and in situ polymerization methods. • PANI coating improves the properties of Co{sub 3}O{sub 4} affecting electrochemical performance. • The nanocomposites exhibit a high specific capacitance of 1184 F g{sup −1} at 1.25 A g{sup −1}. - Abstract: Core–shell structured PANI-Co{sub 3}O{sub 4} nanocomposites for supercapacitor applications were synthesized by combination of carbon-assisted method and in situ polymerization method. The crystalline structure, optical band gap, morphology, and hydrophilic property, as the major factors affecting the performances of supercapacitors, were investigated by X-ray diffraction (XRD), UV–vis spectrophotometry (UV–vis), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and water contact angle (WCA). The core–shell structured PANI-Co{sub 3}O{sub 4} nanocomposites are characterized by amorphous PANI, small bandgaps, large surface area and favorable hydrophilicity, which indicates the superior electrochemical performances of the nanocomposites as electrode material for supercapacitors. Cyclic voltammetry (CV), galvanostatic charge/discharge and electrochemical impedance spectroscopy (EIS) measurements were conducted in 6 M KOH aqueous solution to evaluate the electrochemical performances. The results shows that core–shell structured PANI-Co{sub 3}O{sub 4} nanocomposites exhibit a high specific capacitance of 1184 F g{sup −1} at 1.25 A g{sup −1}, excellent cycling stability of a capacitance retention of 84.9% after 1000 galvanostatic charge/discharge cycles, good electrical conductivity and ion diffusion behavior.

One-step synthesis of PtPdAu ternary alloy nanoparticles on graphene with superior methanol electrooxidation activity

Energy Technology Data Exchange (ETDEWEB)

Zhang Yuzhen; Gu Yonge; Lin Shaoxiong; Wei Jinping; Wang Zaihua [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Wang Chunming, E-mail: wangcm@lzu.edu.cn [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Du Yongling; Ye Weichun [Department of Chemistry, Lanzhou University, Lanzhou 730000 (China)

2011-10-01

Highlights: > PtPdAu nanoparticles were synthesized on graphene sheets via chemical reduction method. > The prepared PtPdAu nanoparticles were ternary alloy with fcc structure. > The catalyst exhibited superior catalytic activity and stability for MOR in alkaline. - Abstract: Well-dispersed PtPdAu ternary alloy nanoparticles were synthesized on graphene sheets via a simple one-step chemical reduction method in ethylene glycol (EG) and water system, in which EG served as both reductive and dispersing agent. The electrocatalytic activity of PtPdAu/G was tested by methanol oxidation reaction (MOR). The catalyst was further characterized by transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD), which indicated that the as-synthesized PtPdAu nanoparticles with alloy structures were successfully dispersed on the graphene sheets. Electrocatalytic properties of the catalyst for MOR in alkaline have been investigated by cyclic voltammetry (CV), chronoamperometry and Tafel curves. The electrocatalytic activity and stability of PtPdAu/G were superior to PtPd/G, PtAu/G and Pt/G. In addition, the anodic peak current on PtPdAu/G catalyst was proportional to the concentration of methanol in the range of 0.05-1.00 M. This study implies that the prepared catalyst have great potential applications in fuel cells.

Structural stability of interaction networks against negative external fields

Science.gov (United States)

Yoon, S.; Goltsev, A. V.; Mendes, J. F. F.

2018-04-01

We explore structural stability of weighted and unweighted networks of positively interacting agents against a negative external field. We study how the agents support the activity of each other to confront the negative field, which suppresses the activity of agents and can lead to collapse of the whole network. The competition between the interactions and the field shape the structure of stable states of the system. In unweighted networks (uniform interactions) the stable states have the structure of k -cores of the interaction network. The interplay between the topology and the distribution of weights (heterogeneous interactions) impacts strongly the structural stability against a negative field, especially in the case of fat-tailed distributions of weights. We show that apart from critical slowing down there is also a critical change in the system structure that precedes the network collapse. The change can serve as an early warning of the critical transition. To characterize changes of network structure we develop a method based on statistical analysis of the k -core organization and so-called "corona" clusters belonging to the k -cores.

Superior acidic catalytic activity and stability of Fe-doped HTaWO6 nanotubes

KAUST Repository

Liu, He

2017-07-26

Fe-doped HTaWO6 (H1-3xFexTaWO6, x = 0.23) nanotubes as highly active solid acid catalysts were prepared via an exfoliation-scrolling-exchange process. The specific surface area and pore volume of undoped nanotubes (20.8 m2 g-1, 0.057 cm3 g-1) were remarkably enhanced through Fe3+ ion-exchange (>100 m2 g-1, 0.547 cm3 g-1). Doping Fe ions into the nanotubes endowed them with improved thermal stability due to the stronger interaction between the intercalated Fe3+ ions and the host layers. This interaction also facilitated the preservation of effective Brønsted acid sites and the generation of new acid sites. The integration of these functional roles resulted in Fe-doped nanotubes with high acidic catalytic activities in the Friedel-Crafts alkylation of anisole and the esterification of acetic acid. Facile accessibility to active sites, generation of effective Brønsted acid sites, high stability of the tubular structure and strong acid sites were found to synergistically contribute to the excellent acidic catalytic efficiency. Additionally, the activity of cycled nanocatalysts can be easily recovered through annealing treatment.

Superior acidic catalytic activity and stability of Fe-doped HTaWO6 nanotubes

KAUST Repository

Liu, He; Zhang, Haitao; Fei, Linfeng; Ma, Hongbin; Zhao, Guoying; Mak, CheeLeung; Zhang, Xixiang; Zhang, Suojiang

2017-01-01

Fe-doped HTaWO6 (H1-3xFexTaWO6, x = 0.23) nanotubes as highly active solid acid catalysts were prepared via an exfoliation-scrolling-exchange process. The specific surface area and pore volume of undoped nanotubes (20.8 m2 g-1, 0.057 cm3 g-1) were remarkably enhanced through Fe3+ ion-exchange (>100 m2 g-1, 0.547 cm3 g-1). Doping Fe ions into the nanotubes endowed them with improved thermal stability due to the stronger interaction between the intercalated Fe3+ ions and the host layers. This interaction also facilitated the preservation of effective Brønsted acid sites and the generation of new acid sites. The integration of these functional roles resulted in Fe-doped nanotubes with high acidic catalytic activities in the Friedel-Crafts alkylation of anisole and the esterification of acetic acid. Facile accessibility to active sites, generation of effective Brønsted acid sites, high stability of the tubular structure and strong acid sites were found to synergistically contribute to the excellent acidic catalytic efficiency. Additionally, the activity of cycled nanocatalysts can be easily recovered through annealing treatment.

Towards a "Golden Standard" for computing globin stability: Stability and structure sensitivity of myoglobin mutants.

Science.gov (United States)

Kepp, Kasper P

2015-10-01

Fast and accurate computation of protein stability is increasingly important for e.g. protein engineering and protein misfolding diseases, but no consensus methods exist for important proteins such as globins, and performance may depend on the type of structural input given. This paper reports benchmarking of six protein stability calculators (POPMUSIC 2.1, I-Mutant 2.0, I-Mutant 3.0, CUPSAT, SDM, and mCSM) against 134 experimental stability changes for mutations of sperm-whale myoglobin. Six different high-resolution structures were used to test structure sensitivity that may impair protein calculations. The trend accuracy of the methods decreased as I-Mutant 2.0 (R=0.64-0.65), SDM (R=0.57-0.60), POPMUSIC2.1 (R=0.54-0.57), I-Mutant 3.0 (R=0.53-0.55), mCSM (R=0.35-0.47), and CUPSAT (R=0.25-0.48). The mean signed errors increased as SDMMean absolute errors increased as I-Mutant 2.0Structural sensitivity increased as I-Mutant 3.0 (0.05)structures and reveal structure-dependent effects even in the near-atomic resolution limit. Copyright © 2015 Elsevier B.V. All rights reserved.

Biomechanical Effects of Acromioplasty on Superior Capsule Reconstruction for Irreparable Supraspinatus Tendon Tears.

Science.gov (United States)

Mihata, Teruhisa; McGarry, Michelle H; Kahn, Timothy; Goldberg, Iliya; Neo, Masashi; Lee, Thay Q

2016-01-01

Acromioplasty is increasingly being performed for both reparable and irreparable rotator cuff tears. However, acromioplasty may destroy the coracoacromial arch, including the coracoacromial ligament, consequently causing a deterioration in superior stability even after superior capsule reconstruction. The purpose of this study was to investigate the effects of acromioplasty on shoulder biomechanics after superior capsule reconstruction for irreparable supraspinatus tendon tears. The hypothesis was that acromioplasty with superior capsule reconstruction would decrease the area of subacromial impingement without increasing superior translation and subacromial contact pressure. Controlled laboratory study. Seven fresh-frozen cadaveric shoulders were evaluated using a custom shoulder testing system. Glenohumeral superior translation, the location of the humeral head relative to the glenoid, and subacromial contact pressure and area were compared among 4 conditions: (1) intact shoulder, (2) irreparable supraspinatus tendon tear, (3) superior capsule reconstruction without acromioplasty, and (4) superior capsule reconstruction with acromioplasty. Superior capsule reconstruction was performed using the fascia lata. Compared with the intact shoulder, the creation of an irreparable supraspinatus tear significantly shifted the humeral head superiorly in the balanced muscle loading condition (without superior force applied) (0° of abduction: 2.8-mm superior shift [P = .0005]; 30° of abduction: 1.9-mm superior shift [P = .003]) and increased both superior translation (0° of abduction: 239% of intact [P = .04]; 30° of abduction: 199% of intact [P = .02]) and subacromial peak contact pressure (0° of abduction: 308% of intact [P = .0002]; 30° of abduction: 252% of intact [P = .001]) by applying superior force. Superior capsule reconstruction without acromioplasty significantly decreased superior translation (0° of abduction: 86% of intact [P = .02]; 30° of abduction: 75

Biomechanical Comparison of 3 Inferiorly Directed Versus 3 Superiorly Directed Locking Screws on Stability in a 3-Part Proximal Humerus Fracture Model.

Science.gov (United States)

Donohue, David M; Santoni, Brandon G; Stoops, T Kyle; Tanner, Gregory; Diaz, Miguel A; Mighell, Mark

2018-06-01

To quantify the stability of 3 points of inferiorly directed versus 3 points of superiorly directed locking screw fixation compared with the full contingent of 6 points of locked screw fixation in the treatment of a 3-part proximal humerus fracture. A standardized 3-part fracture was created in 10 matched pairs (experimental groups) and 10 nonmatched humeri (control group). Osteosynthesis was performed using 3 locking screws in the superior hemisphere of the humeral head (suspension), 3 locking screws in the inferior hemisphere (buttress), or the full complement of 6 locking screws (control). Specimens were tested in varus cantilever bending (7.5 Nm) to 10,000 cycles or failure. Construct survival (%) and the cycles to failure were compared. Seven of 10 controls survived the 10,000-cycle runout (70%: 8193 average cycles to failure). No experimental constructs survived the 10,000-cycle runout. Suspension and buttress screw groups failed an average of 331 and 516 cycles, respectively (P = 1.00). The average number of cycles to failure and the number of humeri surviving the 10,000-cycle runout were greater in the control group than in the experimental groups (P ≤ 0.006). Data support the use of a full contingent of 6 points of locking screw fixation over 3 superior or 3 inferior points of fixation in the treatment of a 3-part proximal humerus fracture with a locking construct. No biomechanical advantage to the 3 buttress or 3 suspension screws used in isolation was observed.

Sacroiliac joint stability: Finite element analysis of implant number, orientation, and superior implant length.

Science.gov (United States)

Lindsey, Derek P; Kiapour, Ali; Yerby, Scott A; Goel, Vijay K

2018-03-18

To analyze how various implants placement variables affect sacroiliac (SI) joint range of motion. An experimentally validated finite element model of the lumbar spine and pelvis was used to simulate a fusion of the SI joint using various placement configurations of triangular implants (iFuse Implant System ® ). Placement configurations were varied by changing implant orientation, superior implant length, and number of implants. The range of motion of the SI joint was calculated using a constant moment of 10 N-m with a follower load of 400 N. The changes in motion were compared between the treatment groups to assess how the different variables affected the overall motion of the SI joint. Transarticular placement of 3 implants with superior implants that end in the middle of the sacrum resulted in the greatest reduction in range of motion (flexion/extension = 73%, lateral bending = 42%, axial rotation = 72%). The range of motions of the SI joints were reduced with use of transarticular orientation (9%-18%) when compared with an inline orientation. The use of a superior implant that ended mid-sacrum resulted in median reductions of (8%-14%) when compared with a superior implant that ended in the middle of the ala. Reducing the number of implants, resulted in increased SI joint range of motions for the 1 and 2 implant models of 29%-133% and 2%-39%, respectively, when compared with the 3 implant model. Using a validated finite element model we demonstrated that placement of 3 implants across the SI joint using a transarticular orientation with superior implant reaching the sacral midline resulted in the most stable construct. Additional clinical studies may be required to confirm these results.

Structure, stability and behaviour of nucleic acids in ionic liquids

Science.gov (United States)

Tateishi-Karimata, Hisae; Sugimoto, Naoki

2014-01-01

Nucleic acids have become a powerful tool in nanotechnology because of their conformational polymorphism. However, lack of a medium in which nucleic acid structures exhibit long-term stability has been a bottleneck. Ionic liquids (ILs) are potential solvents in the nanotechnology field. Hydrated ILs, such as choline dihydrogen phosphate (choline dhp) and deep eutectic solvent (DES) prepared from choline chloride and urea, are ‘green’ solvents that ensure long-term stability of biomolecules. An understanding of the behaviour of nucleic acids in hydrated ILs is necessary for developing DNA materials. We here review current knowledge about the structures and stabilities of nucleic acids in choline dhp and DES. Interestingly, in choline dhp, A–T base pairs are more stable than G–C base pairs, the reverse of the situation in buffered NaCl solution. Moreover, DNA triplex formation is markedly stabilized in hydrated ILs compared with aqueous solution. In choline dhp, the stability of Hoogsteen base pairs is comparable to that of Watson–Crick base pairs. Moreover, the parallel form of the G-quadruplex is stabilized in DES compared with aqueous solution. The behaviours of various DNA molecules in ILs detailed here should be useful for designing oligonucleotides for the development of nanomaterials and nanodevices. PMID:25013178

Electrochemical stability of ionic clathrate hydrates and their structural consideration

International Nuclear Information System (INIS)

Lee, Wonhee; Lim, Dongwook; Lee, Huen

2013-01-01

Although electrochemical stability is an essential factor in relation to the potential applications of ionic clathrate hydrates to solid electrolytes, most studies regarding the proton conductors have focused on their ionic conductivity and thermal stability. Solid electrolytes in various electrochemical devices have to endure the applied potentials; thus, we examined the linear sweep voltammograms of various tetraalkylammonium hydroxide hydrates in order to shed light on the trend of electrochemical stability depending on the hydrate structure. We revealed that the electrochemical stability of Me 4 NOH hydrates is mainly affected by both their ionic concentration and cage occupancy. In particular, the true clathrate structures of β-Me 4 NOH hydrates are more electrochemically stable than their α-forms that possess partially broken hydrogen bonds. We also observed that the binary THF–Pr 4 NOH and pure Bu 4 NOH clathrate hydrates exhibit greater electrochemical stability than those of pure Me 4 NOH hydrates having lower or similar ionic concentrations. These results are considered to arise from the fact that each of the Pr 4 N + and Bu 4 N + ions occupies an extended space comprising four cages, which leads to stabilization of the larger unit, whereas a Me 4 N + ion is completely included only in one cage

Photovoltaic performance and stability of fullerene/cerium oxide double electron transport layer superior to single one in p-i-n perovskite solar cells

Science.gov (United States)

Xing, Zhou; Li, Shu-Hui; Wu, Bao-Shan; Wang, Xin; Wang, Lu-Yao; Wang, Tan; Liu, Hao-Ran; Zhang, Mei-Lin; Yun, Da-Qin; Deng, Lin-Long; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun

2018-06-01

Interface engineering that involves in the metal cathodes and the electron transport layers (ETLs) facilitates the simultaneous improvement of device performances and stability in perovskite solar cells (PSCs). Herein, low-temperature solution-processed cerium oxide (CeOx) films are prepared by a facile sol-gel method and employed as the interface layers between [6,6]-phenyl-C61-butyric acid methyl ester (PC61BM) and an Ag back contact to form PC61BM/CeOx double ETLs. The introduction of CeOx enables electron extraction to the Ag electrode and protects the underlying perovskite layer and thus improves the device performance and stability of the p-i-n PSCs. The p-i-n PSCs with double PC61BM/CeOx ETLs demonstrate a maximum power conversion efficiency (PCE) of 17.35%, which is superior to those of the devices with either PC61BM or CeOx single ETLs. Moreover, PC61BM/CeOx devices exhibit excellent stability in light soaking, which is mainly due to the chemically stable CeOx interlayer. The results indicate that CeOx is a promising interface modification layer for stable high-efficiency PSCs.

Structure and stabilization of hydrogen-rich transverse.

Energy Technology Data Exchange (ETDEWEB)

Lyra, Sgouria [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Wilde, B [Georgia Inst. of Technology, Atlanta, GA (United States); Kolla, Hemanth [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Seitzman, J. [Georgia Inst. of Technology, Atlanta, GA (United States); Lieuwen, T. C. [Georgia Inst. of Technology, Atlanta, GA (United States); Chen, Jacqueline H. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2014-07-01

This paper reports the results of a joint experimental and numerical study of the ow characteristics and flame stabilization of a hydrogen rich jet injected normal to a turbulent, vitiated cross ow of lean methane combustion products. Simultaneous high-speed stereoscopic PIV and OH PLIF measurements were obtained and analyzed alongside three-dimensional direct numerical simulations of inert and reacting JICF with detailed H₂/CO chemistry. Both the experiment and the simulation reveal that, contrary to most previous studies of reacting JICF stabilized in low-to-moderate temperature air cross ow, the present conditions lead to an autoigniting, burner-attached flame that initiates uniformly around the burner edge. Significant asymmetry is observed, however, between the reaction zones located on the windward and leeward sides of the jet, due to the substantially different scalar dissipation rates. The windward reaction zone is much thinner in the near field, while also exhibiting significantly higher local and global heat release than the much broader reaction zone found on the leeward side of the jet. The unsteady dynamics of the windward shear layer, which largely control the important jet/cross flow mixing processes in that region, are explored in order to elucidate the important flow stability implications arising in the reacting JICF. Vorticity spectra extracted from the windward shear layer reveal that the reacting jet is globally unstable and features two high frequency peaks, including a fundamental mode whose Strouhal number of ~0.7 agrees well with previous non-reacting JICF stability studies. The paper concludes with an analysis of the ignition, ame stabilization, and global structure of the burner-attached flame. Chemical explosive mode analysis (CEMA) shows that the entire windward shear layer, and a large region on the leeward side of the jet, are highly explosive prior to ignition and are dominated by non-premixed flame structures after

Ab initio study on structural stability of uranium carbide

International Nuclear Information System (INIS)

Sahoo, B.D.; Joshi, K.D.; Gupta, Satish C.

2013-01-01

First principles calculations have been performed using plane wave pseudopotential and full potential linearized augmented plane wave (FP-LAPW) methods to analyze structural, elastic and dynamic stability of UC under hydrostatic compression. Our calculations within pseudopotential method suggest that the rocksalt (B1) structure will transform to body centered orthorhombic (bco) structure at ∼21.5 GPa. The FP-LAPW calculations put this transition at 23 GPa. The transition pressures determined from our calculations though agree reasonably with the experimental value of 27 GPa, the high pressure bco structure suggested by theory differs slightly from the experimentally reported pseudo bco phase. The elastic stability analysis of B1 phase suggests that the B1 to bco transition is driven by the failure of C 44 modulus. This finding is further substantiated by the lattice dynamic calculations which demonstrate that the B1 phase becomes dynamically unstable around the transition pressure and the instability is of long wavelength nature

Rational geometrical engineering of palladium sulfide multi-arm nanostructures as a superior bi-functional electrocatalyst.

Science.gov (United States)

Nandan, R; Nanda, K K

2017-08-31

Geometrical tunability offers sharp edges and an open-armed structure accompanied with a high electrochemical active surface area to ensure the efficient and effective utilization of materials by exposing the electrochemical active sites for facile accessibility of reactant species. Herein, we report a one-step, single-pot, surfactant-free, electroless, and economic route to synthesize palladium sulfide nanostructures with different geometries at mild temperatures and their catalytic properties towards the oxygen reduction reaction (ORR) and methanol electro-oxidation (MOR). For ORR, the positive on-set, half wave potentials, smaller Tafel slope, high electrochemical active surface area, large roughness factor, and better cyclic stability of the proposed nanostructures as compared to those of the commercial state-of-the-art Pt-C/PdS catalysts suggest their superiority in an alkaline medium. In addition, high mass activity (J f ∼ 715 mA mg -1 ), in comparison with that of the commercial state-of-the-art Pt-C/PdS catalysts (J f ∼ 138/41 mA mg -1 , respectively), and high J f /J b (1.52) along with the superior operational stability of the multi-arm palladium sulfide nanostructures towards MOR advocates the bi-functional behavior of the catalyst and its potential as a promising Pt-free anode/cathode electrocatalyst in fuel cells.

Design criteria development for the structural stability of nuclear waste repository

Energy Technology Data Exchange (ETDEWEB)

Yun, C H [Korea Institute of Nuclear Safety, Taejon (Korea, Republic of); Yu, T S [Daewoo Engineering Company, Sungnam (Korea, Republic of); Ko, H M [Seoul National Univ., Seoul (Korea, Republic of)

1990-11-15

The objective of the present project is to develop design criteria for the structural stability of rock cavity for the underground repository are defined, according to which detailed descriptions for design methodologies, design stages and stability analysis of the cavity are made. The proposed criteria can be used as a guide for the preparation of design codes which are to be established as the site condition and technical emplacement procedure are fixed. The present report first reviews basic safety requirements and criteria of the underground disposal of nuclear wastes for the establishment of design concepts and stability analysis of the rock cavity. Important factors for the design are also described by considering characteristics of the wastes and underground facilities. The present project has investigated technical aspects on the design of underground structures based on the currently established underground construction technologies, and presented a proposal for design criteria for the structural stability of the nuclear waste repository. The proposed criteria consist of general provisions, geological exploration, rock classification, design process and methods, supporting system, analyses and instrumentation.

Calcium Stabilized And Geogrid Reinforced Soil Structures In Seismic Areas

International Nuclear Information System (INIS)

Rimoldi, Pietro; Intra, Edoardo

2008-01-01

In many areas of Italy, and particularly in high seismic areas, there is no or very little availability of granular soils: hence embankments and retaining structures are often built using the locally available fine soil. For improving the geotechnical characteristics of such soils and/or for building steep faced structures, there are three possible techniques: calcium stabilization, geogrid reinforcement, and the combination of both ones, that is calcium stabilized and reinforced soil. The present paper aims to evaluate these three techniques in terms of performance, design and construction, by carrying out FEM modeling and stability analyses of the same reference embankments, made up of soil improved with each one of the three techniques, both in static and dynamic conditions. Finally two case histories are illustrated, showing the practical application of the above outlined techniques

A new method for evaluating structural stability of bulk metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Zhao, Lei; Jia, Haoling [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Xie, Shenghui; Zeng, Xierong [College of Materials Science and Engineering, Shenzhen University and Shenzhen Key Laboratory of Special Functional Materials, ShenZhen 518060 (China); Zhang, Tao [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Ma, Chaoli, E-mail: machaoli@buaa.edu.c [Key Laboratory of Aerospace Materials and Performance, Ministry of Education, School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)

2010-08-15

This paper proposed a new method for evaluating the structural stability of bulk metallic glasses (BMGs) based on dilatometric measurements. During heating in the dilatometric experiments, the BMGs expanded continuously with increasing temperature. When the temperature reached the glass transition temperature (T{sub g}), viscous shrinkage occurred due to the viscosity of material becoming lower. Since the inhomogeneous nature of the metallic glasses at atomic level, the processes of rigid expansion and the viscous shrinkage co-exist in a certain temperature region. The expansion stopped completely at a temperature (named T{sub p} here) beyond T{sub g}. The values of the temperature region, {Delta}T{sub gp} = T{sub p} - T{sub g}, and the corresponding time interval ({Delta}t{sub gp}) and the activation energy (E{sub p}) corresponding to the expansion processes, are the reflection of the structural stability of BMGs. Investigating the co-existing processes kinetically and thermodynamically, we can make an insight into the structural stability of metallic glasses. Based on this idea, the thermal expansion behaviors of Mg-, Pd-, Zr-, Ti- and Fe-based BMG were studied, and their structural stability was evaluated by the parameters of {Delta}T{sub gp}, {Delta}t{sub gp} and E{sub p}.

Structure and stability of charged colloid-nanoparticle mixtures

Science.gov (United States)

Weight, Braden M.; Denton, Alan R.

2018-03-01

Physical properties of colloidal materials can be modified by addition of nanoparticles. Within a model of like-charged mixtures of particles governed by effective electrostatic interactions, we explore the influence of charged nanoparticles on the structure and thermodynamic phase stability of charge-stabilized colloidal suspensions. Focusing on salt-free mixtures of particles of high size and charge asymmetry, interacting via repulsive Yukawa effective pair potentials, we perform molecular dynamics simulations and compute radial distribution functions and static structure factors. Analysis of these structural properties indicates that increasing the charge and concentration of nanoparticles progressively weakens correlations between charged colloids. We show that addition of charged nanoparticles to a suspension of like-charged colloids can induce a colloidal crystal to melt and can facilitate aggregation of a fluid suspension due to attractive van der Waals interactions. We attribute the destabilizing influence of charged nanoparticles to enhanced screening of electrostatic interactions, which weakens repulsion between charged colloids. This interpretation is consistent with recent predictions of an effective interaction theory of charged colloid-nanoparticle mixtures.

A reliable method for the stability analysis of structures ...

African Journals Online (AJOL)

The detection of structural configurations with singular tangent stiffness matrix is essential because they can be unstable. The secondary paths, especially in unstable buckling, can play the most important role in the loss of stability and collapse of the structure. A new method for reliable detection and accurate computation of ...

Oxidative stability of structured lipids produced from sunflower oil and caprylic acid

DEFF Research Database (Denmark)

Timm Heinrich, Maike; Xu, Xuebing; Nielsen, Nina Skall

2003-01-01

Traditional sunflower oil (SO), randomized lipid (RL) and specific structured lipid (SL), both produced from SO and tricaprylin/caprylic acid, respectively, were stored for up to 12 wk to compare their oxidative stabilities by chemical and sensory analyses. Furthermore, the effect of adding...... a commercial antioxidant blend Grindox 117 (propyl gallate/citric acid/ascorbyl palmitate) or gallic acid to the SL was investigated. The lipid type affected the oxidative stability: SL was less stable than SO and RL. The reduced stability was most likely caused by both the structure of the lipid...

First-principles calculation of the structural stability of 6d transition metals

International Nuclear Information System (INIS)

Oestlin, A.; Vitos, L.

2011-01-01

The phase stability of the 6d transition metals (elements 103-111) is investigated using first-principles electronic-structure calculations. Comparison with the lighter transition metals reveals that the structural sequence trend is broken at the end of the 6d series. To account for this anomalous behavior, the effect of relativity on the lattice stability is scrutinized, taking different approximations into consideration. It is found that the mass-velocity and Darwin terms give important contributions to the electronic structure, leading to changes in the interstitial charge density and, thus, in the structural energy difference.

Helipuerto para la Escuela Superior de Medicina Hannover — Alemania Federal

Directory of Open Access Journals (Sweden)

Idelberger, Klaus

1979-08-01

Full Text Available This helicopter landing pad was built for the service of the Higher Medical School of Hannover, on top of an existing concrete car park building. The structure chosen was a fire-galvanized steel beam framework resting on pendular supports and stabilizing portal type frames. Design calculation conforms with DIN 1 055 standard. The Steel structure is completed with a foot bridge and ramp, protection rails, stairways, etc.

La pista de aterrizaje para helicópteros, al servicio de la Escuela Superior de Medicina de Hannover, se realizó sobre un aparcamiento de hormigón ya existente. Como estructura portante se eligió un entramado de vigas de acero galvanizado al fuego sobre apoyos pendulares y pórticos estabilizantes. Los cálculos se basan en la norma DIN 1 055. La estructura de acero se completa con el puente de peatones, la rampa de peatones, las barandillas de protección, las escaleras, etcétera.

Recent Advances in Heliogyro Solar Sail Structural Dynamics, Stability, and Control Research

Science.gov (United States)

Wilkie, W. Keats; Warren, Jerry E.; Horta, Lucas G.; Lyle, Karen H.; Juang, Jer-Nan; Gibbs, S. Chad; Dowell, Earl H.; Guerrant, Daniel V.; Lawrence, Dale

2015-01-01

Results from recent NASA sponsored research on the structural dynamics, stability, and control characteristics of heliogyro solar sails are summarized. Specific areas under investigation include coupled nonlinear finite element analysis of heliogyro membrane blade with solar radiation pressure effects, system identification of spinning membrane structures, and solarelastic stability analysis of heliogyro solar sails, including stability during blade deployment. Recent results from terrestrial 1-g blade dynamics and control experiments on "rope ladder" membrane blade analogs, and small-scale in vacuo system identification experiments with hanging and spinning high-aspect ratio membranes will also be presented. A low-cost, rideshare payload heliogyro technology demonstration mission concept is used as a mission context for these heliogyro structural dynamics and solarelasticity investigations, and is also described. Blade torsional dynamic response and control are also shown to be significantly improved through the use of edge stiffening structural features or inclusion of modest tip masses to increase centrifugal stiffening of the blade structure. An output-only system identification procedure suitable for on-orbit blade dynamics investigations is also developed and validated using ground tests of spinning sub-scale heliogyro blade models. Overall, analytical and experimental investigations to date indicate no intractable stability or control issues for the heliogyro solar sail concept.

Range and stability of structural colors generated by Morpho-inspired color reflectors.

Science.gov (United States)

Chung, Kyungjae; Shin, Jung H

2013-05-01

The range and stability of structural colors generated by Morpho-inspired color reflectors are investigated. We find that despite the internal randomness of such structures that gives rise to their Morpho-like angle-independent iridescence, their colors under ambient lighting condition can be predicted by simple transfer-matrix calculations of corresponding planar multilayer structures. By calculating the possible range of colors generated by multilayers of different structures and material combinations using such transfer-matrix methods, we find that low-refractive index multilayers with intrastructure absorption, such as the melanin-containing chitin/air multilayer structure from the Morpho butterflies, can provide not only the most pure structural colors with the largest color gamut, but also the highest stability of color against variations in multilayer structure.

Superior Cross-Species Reference Genes: A Blueberry Case Study

Science.gov (United States)

Die, Jose V.; Rowland, Lisa J.

2013-01-01

The advent of affordable Next Generation Sequencing technologies has had major impact on studies of many crop species, where access to genomic technologies and genome-scale data sets has been extremely limited until now. The recent development of genomic resources in blueberry will enable the application of high throughput gene expression approaches that should relatively quickly increase our understanding of blueberry physiology. These studies, however, require a highly accurate and robust workflow and make necessary the identification of reference genes with high expression stability for correct target gene normalization. To create a set of superior reference genes for blueberry expression analyses, we mined a publicly available transcriptome data set from blueberry for orthologs to a set of Arabidopsis genes that showed the most stable expression in a developmental series. In total, the expression stability of 13 putative reference genes was evaluated by qPCR and a set of new references with high stability values across a developmental series in fruits and floral buds of blueberry were identified. We also demonstrated the need to use at least two, preferably three, reference genes to avoid inconsistencies in results, even when superior reference genes are used. The new references identified here provide a valuable resource for accurate normalization of gene expression in Vaccinium spp. and may be useful for other members of the Ericaceae family as well. PMID:24058469

Superior cross-species reference genes: a blueberry case study.

Directory of Open Access Journals (Sweden)

Jose V Die

Full Text Available The advent of affordable Next Generation Sequencing technologies has had major impact on studies of many crop species, where access to genomic technologies and genome-scale data sets has been extremely limited until now. The recent development of genomic resources in blueberry will enable the application of high throughput gene expression approaches that should relatively quickly increase our understanding of blueberry physiology. These studies, however, require a highly accurate and robust workflow and make necessary the identification of reference genes with high expression stability for correct target gene normalization. To create a set of superior reference genes for blueberry expression analyses, we mined a publicly available transcriptome data set from blueberry for orthologs to a set of Arabidopsis genes that showed the most stable expression in a developmental series. In total, the expression stability of 13 putative reference genes was evaluated by qPCR and a set of new references with high stability values across a developmental series in fruits and floral buds of blueberry were identified. We also demonstrated the need to use at least two, preferably three, reference genes to avoid inconsistencies in results, even when superior reference genes are used. The new references identified here provide a valuable resource for accurate normalization of gene expression in Vaccinium spp. and may be useful for other members of the Ericaceae family as well.

High-efficiency super capacitors based on hetero-structured α-MnO2 nanorods

International Nuclear Information System (INIS)

Ghouri, Zafar Khan; Shaheer Akhtar, M.; Zahoor, Awan; Barakat, Nasser A.M.; Han, Weidong; Park, Mira; Pant, Bishweshwar; Saud, Prem Singh; Lee, Cho Hye; Kim, Hak Yong

2015-01-01

Highlights: • Hetero-structured α-MnO 2 nanorods are prepared by a facile hydrothermal route. • It is applied as active electrode materials for supercapacitor. • A high specific capacitance of 298 Fg −1 with a superior long term cyclic stability is achieved. • Supercapacitor shows high specific capacitance retention 94% after 1000 cycles. - Abstract: Hetero-structured manganese dioxide nanorods with α phase (α-MnO 2 ) were prepared by a facile hydrothermal route at low temperature. X-ray diffraction, scanning electron microscopy, transmission electron microscopy and nitrogen adsorption–desorption measurements were used to characterize the prepared hetero-structured α-MnO 2 nanorods. Supercapacitive performance of the hetero-structured α-MnO 2 nanomaterials as active electrode material was evaluated by cyclic voltammetry (CV) in alkaline medium. The MnO 2 hetero-structure with 2 × 2 tunnels constructed from double chains of octahedral [MnO 6 ] structure yield a significantly high specific capacitance of 298 Fg −1 at 5 mV s −1 and demonstrated a superior long term cyclic stability, with specific capacitance retention about 94% after 1000 cycles. The superior supercapacitive performance of the hetero-structured α-MnO 2 electrode is due to its high specific surface area and unique hierarchy architecture which facilitate fast electron and ion transport

Formation, structure, and stability of MHD intermediate shocks

International Nuclear Information System (INIS)

Wu, C.C.

1990-01-01

Contrary to the usual belief that MHD intermediate shocks are extraneous, the author has recently shown by numerical solutions of dissipative MHD equations that intermediate shocks are admissible and can be formed through nonlinear wave steepening from continuous waves. In this paper, the formation, structure and stability of intermediate shocks in dissipative MHD are considered in detail. The differences between the conventional theory and his are pointed out and clarified. He shows that all four types of intermediate shocks can be formed from smooth waves. He also shows that there are free parameters in the structure of the intermediate shocks, and that these parameters are related to the shock stability. In addition, he shows that a rotational discontinuity can not exist with finite width, indicate how this is related to the existence of time-dependent intermediate shocks, and show why the conventional theory is not a good approximation to dissipative MHD solutions whenever there is rotation in magnetic field

Cu2+ Dual-Doped Layer-Tunnel Hybrid Na0.6Mn1- xCu xO2 as a Cathode of Sodium-Ion Battery with Enhanced Structure Stability, Electrochemical Property, and Air Stability.

Science.gov (United States)

Chen, Ting-Ru; Sheng, Tian; Wu, Zhen-Guo; Li, Jun-Tao; Wang, En-Hui; Wu, Chun-Jin; Li, Hong-Tai; Guo, Xiao-Dong; Zhong, Ben-He; Huang, Ling; Sun, Shi-Gang

2018-03-28

Sodium-ion batteries (SIBs) have been regarded as a promising candidate for large-scale renewable energy storage system. Layered manganese oxide cathode possesses the advantages of high energy density, low cost and natural abundance while suffering from limited cycling life and poor rate capacity. To overcome these weaknesses, layer-tunnel hybrid material was developed and served as the cathode of SIB, which integrated high capacity, superior cycle ability, and rate performance. In the current work, the doping of copper was adopted to suppress the Jahn-Teller effect of Mn 3+ and to affect relevant structural parameters. Multifunctions of the Cu 2+ doping were carefully investigated. It was found that the structure component ratio is varied with the Cu 2+ doping amount. Results demonstrated that Na + /vacancy rearrangement and phase transitions were suppressed during cycling without sacrificing the reversible capacity and enhanced electrochemical performances evidenced with 96 mA h g -1 retained after 250 cycles at 4 C and 85 mA h g -1 at 8 C. Furthermore, ex situ X-ray diffraction has demonstrated high reversibility of the Na 0.6 Mn 0.9 Cu 0.1 O 2 cathode during Na + extraction/insertion processes and superior air stability that results in better storage properties. This study reveals that the Cu 2+ doping could be an effective strategy to tune the properties and related performances of Mn-based layer-tunnel hybrid cathode.

Superior supercapacitors based on nitrogen and sulfur co-doped hierarchical porous carbon: Excellent rate capability and cycle stability

Science.gov (United States)

Zhang, Deyi; Han, Mei; Wang, Bing; Li, Yubing; Lei, Longyan; Wang, Kunjie; Wang, Yi; Zhang, Liang; Feng, Huixia

2017-08-01

Vastly improving the charge storage capability of supercapacitors without sacrificing their high power density and cycle performance would bring bright application prospect. Herein, we report a nitrogen and sulfur co-doped hierarchical porous carbon (NSHPC) with very superior capacitance performance fabricated by KOH activation of nitrogen and sulfur co-doped ordered mesoporous carbon (NSOMC). A high electrochemical double-layer (EDL) capacitance of 351 F g-1 was observed for the reported NSHPC electrodes, and the capacitance remains at 288 F g-1 even under a large current density of 20 A g-1. Besides the high specific capacitance and outstanding rate capability, symmetrical supercapacitor cell based on the NSHPC electrodes also exhibits an excellent cycling performance with 95.61% capacitance retention after 5000 times charge/discharge cycles. The large surface area caused by KOH activation (2056 m2 g-1) and high utilized surface area owing to the ideal micro/mesopores ratio (2.88), large micropores diameter (1.38 nm) and short opened micropores structure as well as the enhanced surface wettability induced by N and S heteroatoms doping and improved conductivity induced by KOH activation was found to be responsible for the very superior capacitance performance.

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.

Structure-activity relationships between sterols and their thermal stability in oil matrix.

Science.gov (United States)

Hu, Yinzhou; Xu, Junli; Huang, Weisu; Zhao, Yajing; Li, Maiquan; Wang, Mengmeng; Zheng, Lufei; Lu, Baiyi

2018-08-30

Structure-activity relationships between 20 sterols and their thermal stabilities were studied in a model oil system. All sterol degradations were found to be consistent with a first-order kinetic model with determination of coefficient (R 2 ) higher than 0.9444. The number of double bonds in the sterol structure was negatively correlated with the thermal stability of sterol, whereas the length of the branch chain was positively correlated with the thermal stability of sterol. A quantitative structure-activity relationship (QSAR) model to predict thermal stability of sterol was developed by using partial least squares regression (PLSR) combined with genetic algorithm (GA). A regression model was built with R 2 of 0.806. Almost all sterol degradation constants can be predicted accurately with R 2 of cross-validation equals to 0.680. Four important variables were selected in optimal QSAR model and the selected variables were observed to be related with information indices, RDF descriptors, and 3D-MoRSE descriptors. Copyright © 2018 Elsevier Ltd. All rights reserved.

Structural Stability and Hydraulic Conductivity Of Nkpologu Sandy ...

African Journals Online (AJOL)

Studies were conducted in the runoff plots at the University of Nigeria Nsukka Teaching and Resesarch Farm in 2010 and 2011 to monitor the changes in structural stability and saturated hydraulic conductivity (Ksat) of Nkpologu sandy loam soil under different cover management practices. The management practices were ...

Facile synthesis of carbon dots with superior sensing ability

Science.gov (United States)

Jin, Lin; Li, Jingguo; Liu, Liyun; Wang, Zhenling; Zhang, Xingcai

2018-04-01

Carbon dots (CDs) have various applications in biomedical and environmental field, such as bio-imaging, bio-sensing and heavy metal detection. In this study, a novel class of CDs were synthesized using a one-step hydrothermal method. The fabricated CDs displayed stable photoluminescence, good water solubility, and photo stability. Moreover, the functional groups (carboxylic acid moieties and hydroxyls) on the surface of the obtained CDs enable it with superior sensing ability (e.g., very low detectable concentration for Pb2+: 5 nmol/L). With superior detection sensitivity, excellent fluorescent properties and facile fabrication method, the as-obtained CDs can find practical applications as cost-effective and sensitive chemo-sensors in water and food safety field.

Network structure and thermal stability study of high temperature seal glass

Science.gov (United States)

Lu, K.; Mahapatra, M. K.

2008-10-01

High temperature seal glass has stringent requirement on glass thermal stability, which is dictated by glass network structures. In this study, a SrO-La2O3-Al2O3-B2O3-SiO2 based glass system was studied using nuclear magnetic resonance, Raman spectroscopy, and x-ray diffraction for solid oxide cell application purpose. Glass structural unit neighboring environment and local ordering were evaluated. Glass network connectivity as well as silicon and boron glass former coordination were calculated for different B2O3:SiO2 ratios. Thermal stability of the borosilicate glasses was studied after thermal treatment at 850 °C. The study shows that high B2O3 content induces BO4 and SiO4 structural unit ordering, increases glass localized inhomogeneity, decreases glass network connectivity, and causes devitrification. Glass modifiers interact with either silicon- or boron-containing structural units and form different devitrified phases at different B2O3:SiO2 ratios. B2O3-free glass shows the best thermal stability among the studied compositions, remaining stable after thermal treatment for 200 h at 850 °C.

Structural Stability of Tokamak Equilibrium: Transport Barriers

Energy Technology Data Exchange (ETDEWEB)

Solano, E. R.

2001-07-01

A generalised theory of structural stability of differential equations is introduced and applied to the Grad-Shafranov equation. It is discussed how the formation and loss of transport barrier could be associated with the appearance/disappearance of equilibria. The equilibrium conjecture is presented: transport barriers are associated with locally diamagnetic regions in the plasma, and affected by the paramagnetism of the bootstrap current. (Author) 18 refs.

Differentiable dynamical systems an introduction to structural stability and hyperbolicity

CERN Document Server

Wen, Lan

2016-01-01

This is a graduate text in differentiable dynamical systems. It focuses on structural stability and hyperbolicity, a topic that is central to the field. Starting with the basic concepts of dynamical systems, analyzing the historic systems of the Smale horseshoe, Anosov toral automorphisms, and the solenoid attractor, the book develops the hyperbolic theory first for hyperbolic fixed points and then for general hyperbolic sets. The problems of stable manifolds, structural stability, and shadowing property are investigated, which lead to a highlight of the book, the \\Omega-stability theorem of Smale. While the content is rather standard, a key objective of the book is to present a thorough treatment for some tough material that has remained an obstacle to teaching and learning the subject matter. The treatment is straightforward and hence could be particularly suitable for self-study. Selected solutions are available electronically for instructors only. Please send email to textbooks@ams.org for more informatio...

Structures and Stability of Metal Amidoboranes (MAB): Density Functional Calculations

International Nuclear Information System (INIS)

Li Cailin; Wu Chaoling; Chen Yungui; Zhou Jingjing; Zheng Xin; Pang Lijuan; Deng Gang

2010-01-01

Molecule geometry structures, frequencies, and energetic stabilities of ammonia borane (AB, NH 3 BH 3 ) and metal amidoboranes (MAB, MNH 2 BH 3 ), formed by substituting H atom in AB with one of main group metal atoms, have been investigated by density-functional theory and optimized at the B3LYP levels with 6-311G++ (3df, 3pd) basic set. Their structural parameters and infrared spectrum characteristic peaks have been predicted, which should be the criterion of a successfully synthesized material. Several parameters such as binding energies, vibrational frequencies, and the energy gaps between the HOMO and the LUMO have been adopted to characterize and evaluate their structure stabilities. It is also found that the binding energies and HOMO-LUMO energy gaps of the MAB obviously change with the substitution of the atoms. MgAB has the lowest binding energy and is easier to decompose than any other substitutional structures under same conditions, while CaAB has the highest chemical activity. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Core–shell structure carbon coated ferric oxide (Fe{sub 2}O{sub 3}@C) nanoparticles for supercapacitors with superior electrochemical performance

Energy Technology Data Exchange (ETDEWEB)

Ye, Yipeng [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Zhang, Haiyan [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, Guangzhou 510006 (China); Chen, Yiming, E-mail: chenym@gdut.edu.cn [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, Guangzhou 510006 (China); Deng, Peng; Huang, Zhikun [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Liu, Liying; Qian, Yannan; Li, Yunyong [School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006 (China); Guangdong Provincial Key Laboratory of Functional Soft Condensed Matter, Guangzhou 510006 (China); Li, Qingyu [School of Chemistry and Chemistry Engineering, Guangxi Normal University, Guilin 541004 (China)

2015-08-05

Highlights: • Fe{sub 2}O{sub 3}@C was prepared by using arc discharge method followed by heat treatment. • KOH activation made the core–shell structure Fe{sub 2}O{sub 3}@C porous. • The activated-Fe{sub 2}O{sub 3}@C supercapacitor exhibited superior electrochemical performance. - Abstract: Core–shell structure carbon coated ferric oxide nanoparticles (Fe{sub 2}O{sub 3}@C) were fabricated by the oxidation of carbon coated iron nanoparticles (Fe@C) prepared by a direct current carbon arc discharge method. Porous activated-Fe{sub 2}O{sub 3}@C was prepared by KOH activation of Fe{sub 2}O{sub 3}@C at the temperature of 750 °C. X-ray diffraction analysis (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were employed to characterize the structure and morphology of the Fe{sub 2}O{sub 3}@C and activated-Fe{sub 2}O{sub 3}@C. The specific surface area and pore size distribution of the samples were also tested. The activated-Fe{sub 2}O{sub 3}@C electrodes exhibited good electrochemical performance with a maximum specific capacitance of 612 F g{sup −1} at the charge/discharge current density of 0.5 A g{sup −1} with 5 M NaOH electrolyte. After 10,000 cycling DC tests at the charge/discharge current density of 4 A g{sup −1}, a high level specific capacitance of 518 F g{sup −1} was obtained (90.6% retention of the initial capacity), suggesting excellent long-term cycling stability.

The structure and stability of common mental disorders - The NEMESIS Study

NARCIS (Netherlands)

Vollebergh, W.A.M.; Iedema, J; Bijl, R.V.; de Graaf, R.; Smit, F.; Ormel, J.

Background: We analyzed the underlying latent structure of 12-month DSM-III-R diagnoses of 9 common disorders for the general population in the Netherlands. In addition, we sought to establish (1) the stability of the latent structure underlying mental disorders across a 1-year period (structural

Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability.

Science.gov (United States)

Školáková, Andrea; Novák, Pavel; Mejzlíková, Lucie; Průša, Filip; Salvetr, Pavel; Vojtěch, Dalibor

2017-11-05

In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these alloys and very good values of mechanical properties. Alloying by chromium ensured the highest thermal stability, while nickel addition refined the structure of the consolidated alloy. High thermal stability of all tested alloys was described in context with the transformation of the quasicrystalline phases to other types of intermetallics.

Rock stream stability structures in the vicinity of bridges.

Science.gov (United States)

2014-10-01

This report was sponsored by the Utah Department of Transportation (UDOT) to determine if rock stream stability structures could be used as : scour countermeasures and to protect streambanks. Traditional scour countermeasures, such as rock riprap, ar...

High-efficiency super capacitors based on hetero-structured α-MnO{sub 2} nanorods

Energy Technology Data Exchange (ETDEWEB)

Ghouri, Zafar Khan [Department of BIN Fusion Technology, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Department of Organic materials and Fiber Engineering, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Shaheer Akhtar, M. [New & Renewable Energy Material Development Center (NewREC), Chonbuk National University, Jeonbuk (Korea, Republic of); Zahoor, Awan [Department of Chemical Engineering, NED University of Engineering & Technology, University Road, Karachi 75270 (Pakistan); Barakat, Nasser A.M., E-mail: nasser@jbnu.ac.kr [Department of Organic materials and Fiber Engineering, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Department of Chemical Engineering, Faculty of Engineering, El-Minia University, El-Minia (Egypt); Han, Weidong [Department of BIN Fusion Technology, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Park, Mira [Department of Organic materials and Fiber Engineering, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Pant, Bishweshwar; Saud, Prem Singh; Lee, Cho Hye [Department of BIN Fusion Technology, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Kim, Hak Yong, E-mail: khy@jbnu.ac.kr [Department of BIN Fusion Technology, Chonbuk National University, Jeonju 561-756 (Korea, Republic of)

2015-09-05

Highlights: • Hetero-structured α-MnO{sub 2} nanorods are prepared by a facile hydrothermal route. • It is applied as active electrode materials for supercapacitor. • A high specific capacitance of 298 Fg{sup −1} with a superior long term cyclic stability is achieved. • Supercapacitor shows high specific capacitance retention 94% after 1000 cycles. - Abstract: Hetero-structured manganese dioxide nanorods with α phase (α-MnO{sub 2}) were prepared by a facile hydrothermal route at low temperature. X-ray diffraction, scanning electron microscopy, transmission electron microscopy and nitrogen adsorption–desorption measurements were used to characterize the prepared hetero-structured α-MnO{sub 2} nanorods. Supercapacitive performance of the hetero-structured α-MnO{sub 2} nanomaterials as active electrode material was evaluated by cyclic voltammetry (CV) in alkaline medium. The MnO{sub 2} hetero-structure with 2 × 2 tunnels constructed from double chains of octahedral [MnO{sub 6}] structure yield a significantly high specific capacitance of 298 Fg{sup −1} at 5 mV s{sup −1} and demonstrated a superior long term cyclic stability, with specific capacitance retention about 94% after 1000 cycles. The superior supercapacitive performance of the hetero-structured α-MnO{sub 2} electrode is due to its high specific surface area and unique hierarchy architecture which facilitate fast electron and ion transport.

Large Piezoelectric Strain with Superior Thermal Stability and Excellent Fatigue Resistance of Lead-Free Potassium Sodium Niobate-Based Grain Orientation-Controlled Ceramics.

Science.gov (United States)

Quan, Yi; Ren, Wei; Niu, Gang; Wang, Lingyan; Zhao, Jinyan; Zhang, Nan; Liu, Ming; Ye, Zuo-Guang; Liu, Liqiang; Karaki, Tomoaki

2018-03-19

Environment-friendly lead-free piezoelectric materials with high piezoelectric response and high stability in a wide temperature range are urgently needed for various applications. In this work, grain orientation-controlled (with a 90% ⟨001⟩ c -oriented texture) (K,Na)NbO 3 -based ceramics with a large piezoelectric response ( d 33 *) = 505 pm V -1 and a high Curie temperature ( T C ) of 247 °C have been developed. Such a high d 33 * value varies by less than 5% from 30 to 180 °C, showing a superior thermal stability. Furthermore, the high piezoelectricity exhibits an excellent fatigue resistance with the d 33 * value decreasing within only by 6% at a field of 20 kV cm -1 up to 10 7 cycles. These exceptional properties can be attributed to the vertical morphotropic phase boundary and the highly ⟨001⟩ c -oriented textured ceramic microstructure. These results open a pathway to promote lead-free piezoelectric ceramics as a viable alternative to lead-based piezoceramics for various practical applications, such as actuators, transducers, sensors, and acoustic devices, in a wide temperature range.

Towards a "Golden Standard" for computing globin stability: Stability and structure sensitivity of myoglobin mutants

DEFF Research Database (Denmark)

Kepp, Kasper Planeta

2015-01-01

Fast and accurate computation of protein stability is increasingly important for e.g. protein engineering and protein misfolding diseases, but no consensus methods exist for important proteins such as globins, and performance may depend on the type of structural input given. This paper reports be...

Effects of manganese doping on the structure evolution of small-sized boron clusters

Science.gov (United States)

Zhao, Lingquan; Qu, Xin; Wang, Yanchao; Lv, Jian; Zhang, Lijun; Hu, Ziyu; Gu, Guangrui; Ma, Yanming

2017-07-01

Atomic doping of clusters is known as an effective approach to stabilize or modify the structures and properties of resulting doped clusters. We herein report the effect of manganese (Mn) doping on the structure evolution of small-sized boron (B) clusters. The global minimum structures of both neutral and charged Mn doped B cluster \\text{MnB}nQ (n  =  10-20 and Q  =  0, ±1) have been proposed through extensive first-principles swarm-intelligence based structure searches. It is found that Mn doping has significantly modified the grow behaviors of B clusters, leading to two novel structural transitions from planar to tubular and then to cage-like B structures in both neutral and charged species. Half-sandwich-type structures are most favorable for small \\text{MnB}n-/0/+ (n  ⩽  13) clusters and gradually transform to Mn-centered double-ring tubular structures at \\text{MnB}16-/0/+ clusters with superior thermodynamic stabilities compared with their neighbors. Most strikingly, endohedral cages become the ground-state structures for larger \\text{MnB}n-/0/+ (n  ⩾  19) clusters, among which \\text{MnB}20+ adopts a highly symmetric structure with superior thermodynamic stability and a large HOMO-LUMO gap of 4.53 eV. The unique stability of the endohedral \\text{MnB}\\text{20}+ cage is attributed to the geometric fit and formation of 18-electron closed-shell configuration. The results significantly advance our understanding about the structure and bonding of B-based clusters and strongly suggest transition-metal doping as a viable route to synthesize intriguing B-based nanomaterials.

Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability

Directory of Open Access Journals (Sweden)

Andrea Školáková

2017-11-01

Full Text Available In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these alloys and very good values of mechanical properties. Alloying by chromium ensured the highest thermal stability, while nickel addition refined the structure of the consolidated alloy. High thermal stability of all tested alloys was described in context with the transformation of the quasicrystalline phases to other types of intermetallics.

Correlation between local structure and stability of supercooled liquid state in Zr-based metallic glasses

International Nuclear Information System (INIS)

Saida, Junji; Imafuku, Muneyuki; Sato, Shigeo; Sanada, Takashi; Matsubara, Eiichiro; Inoue, Akihisa

2007-01-01

The correlation between the local structure and stability of supercooled liquid state is investigated in the Zr 70 (Ni, Cu) 30 binary and Zr 70 Al 10 (Ni, Cu) 20 (numbers indicate at.%) ternary metallic glasses. The Zr 70 Ni 30 binary amorphous alloy with a low stability of supercooled liquid state has a tetragonal Zr 2 Ni-like local structure around Ni atom. Meanwhile, the Zr 70 Cu 30 binary metallic glass has a different local structure of tetragonal Zr 2 Cu, where we suggest the icosahedral local structure by the quasicrystallization behavior in addition of a very small amount of noble metals. The effect of Al addition on the local structure in the Zr-Ni alloy is also examined. We have investigated that the dominant local structure changes in the icosahedral-like structure from the tetragonal Zr 2 Ni-like local structure by the Al substitution with Ni accompanying with the significant stabilization of supercooled liquid state. It is concluded that the formation of icosahedral local structure contributes to the enhancement of stability of supercooled liquid state in the Zr-based alloys

Structure and stability of warm cores in neutron stars

Energy Technology Data Exchange (ETDEWEB)

Ibanez Cabanell, J M [Departamento de Mecanica y Astronomia, Facultad de Matematicas, Burjasot-Valencia (Spain)

1981-12-01

Relativistic equations of structure are solved using Lamb's equations of state for warm neutron degenerate matter. The stability of isothermal cores in neutron stars is discussed and also the possible compatibility of the results obtained with experimental evidence is shown.

The structure of nuclei far from beta stability

International Nuclear Information System (INIS)

Zganjar, E.F.

1992-01-01

This report discusses: shape coexistence and intruder states; the electric monopole transition in nuclei; gold isotopes; platinum isotopes; iridium isotopes; search for superdeformation in 192 Hg; search for population of superformed states in 194 Pb using 194 Bi β + -decay; detailed nuclear structure studies far from stability; prototype internal pair spectrometer; and picosecond lifetime spectrometer

Double elevator weakening for unilateral congenital superior oblique palsy with ipsilateral superior rectus contracture and lax superior oblique tendon.

Science.gov (United States)

Khan, Arif O

2012-06-01

In unilateral congenital superior oblique palsy, a large hypertropia is sometimes associated with ipsilateral contracture of the superior rectus muscle and apparent overaction of the contralateral superior oblique. Ipsilateral double elevator weakening is one surgical approach; however, this procedure could compromise supraduction. We report a series of three consecutive patients who underwent ipsilateral superior rectus and inferior oblique recessions for unilateral superior oblique palsy. Intraoperatively, all three patients were found to have a lax ipsilateral superior oblique tendon. Postoperatively, all three patients had satisfactory correction of the hypertropia and abnormal head position with minimal supraduction defect. This procedure seems to be an acceptable initial surgical option for treating congenital superior oblique muscle palsy with ipsilateral contracture of the superior rectus muscle, even when the ipsilateral superior oblique tendon is lax. Copyright © 2012 American Association for Pediatric Ophthalmology and Strabismus. Published by Mosby, Inc. All rights reserved.

Design Formulae for Hydraulic Stability and Structural Integrity of Dolos Breakwater Round-Heads

DEFF Research Database (Denmark)

Burcharth, H. F.; Jensen, Jacob Birk; Liu, Z.

1995-01-01

A rational design of Dolos armour unit should incorporate both the hydraulic stability and the structural integrity. The previous tests performed by Aalborg University (AU) resulted in design formulae for the trunk of a 1:1.5 slope Dolos breakwater without superstructure including both...... the hydraulic stability and the structural integrity. The objective of the round-head tests is to produce similar design formulae for Dolos armour in around-head. The tests will also include examinations of the hydraulic stability and run-up for a trunk section adjacent to the round-head. A run-up formula...

Adaptability and stability of soybean genotypes in off-season cultivation.

Science.gov (United States)

Batista, R O; Hamawaki, R L; Sousa, L B; Nogueira, A P O; Hamawaki, O T

2015-08-14

The oil and protein contents of soybean grains are important quantitative traits for use in breeding. However, few breeding programs perform selection based on these traits in different environments. This study assessed the adaptability and stability of 14 elite early soybean breeding lines in off-season cultivation with respect to yield, and oil and protein contents. A range of statistical methods was applied and these analyses indicated that for off-season cultivation, the lines UFUS 5 and UFUS 10 could be recommended due to their superior performance in grain yield, oil content, and specific adaptability to unfavorable environments along with high stability in these characteristics. Also recommended were UFUS 06, which demonstrated superior performance in all three tested characteristics and showed adaptation to favorable environments, and UFUS 13, which showed high adaptability and stability and a superior performance for protein content.

Spinel-structured surface layers for facile Li ion transport and improved chemical stability of lithium manganese oxide spinel

Energy Technology Data Exchange (ETDEWEB)

Lee, Hae Ri [Center for Energy Convergence Research, Korea Institute of Science Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Department of Chemical and Biological Engineering, Korea University, 145, Anam-ro, Seongbuk-gu, Seoul 136-701 (Korea, Republic of); Seo, Hyo Ree; Lee, Boeun; Cho, Byung Won [Center for Energy Convergence Research, Korea Institute of Science Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of); Lee, Kwan-Young [Department of Chemical and Biological Engineering, Korea University, 145, Anam-ro, Seongbuk-gu, Seoul 136-701 (Korea, Republic of); Oh, Si Hyoung, E-mail: sho74@kist.re.kr [Center for Energy Convergence Research, Korea Institute of Science Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 136-791 (Korea, Republic of)

2017-01-15

Graphical abstract: Strategically-designed spinel-structured nano-scale surface layer, LiM{sub x}Mn{sup IV}{sub 1−x}O{sub 4}, featuring a high Li{sup +} ion conductivity and a good chemical stability was applied on Al-doped LiMn{sub 2}O{sub 4} spinel for the drastic improvement of the electrochemical performance at the elevated temperature as a promising cathode material for lithium rechargeable batteries. - Highlights: • Spinel-structured surface layer with a high Li-ion conductivity and a good chemical stability was prepared. • Simple wet process was developed to apply nano-scale surface layer on aluminum doped lithium manganese oxide spinel. • The properties of nano-scale surface layer were characterized by analytical tools including GITT, HR-TEM and XAS. • Materials with surface coating layer exhibit an excellent electrochemical performance at the elevated temperature. - Abstract: Li-ion conducting spinel-structured oxide layer with a manganese oxidation state close to being tetravalent was prepared on aluminum-doped lithium manganese oxide spinel for improving the electrochemical performances at the elevated temperatures. This nanoscale surface layer provides a good ionic conduction path for lithium ion transport to the core and also serves as an excellent chemical barrier for protecting the high-capacity core material from manganese dissolution into the electrolyte. In this work, a simple wet process was employed to prepare thin LiAlMnO{sub 4} and LiMg{sub 0.5}Mn{sub 1.5}O{sub 4} layers on the surface of LiAl{sub 0.1}Mn{sub 1.9}O{sub 4}. X-ray absorption studies revealed an oxidation state close to tetravalent manganese on the surface layer of coated materials. Materials with these surface coating layers exhibited excellent capacity retentions superior to the bare material, without undermining the lithium ion transport characteristics and the high rate performances.

Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts.

Science.gov (United States)

Yin, Peiqun; Yao, Tao; Wu, Yuen; Zheng, Lirong; Lin, Yue; Liu, Wei; Ju, Huanxin; Zhu, Junfa; Hong, Xun; Deng, Zhaoxiang; Zhou, Gang; Wei, Shiqiang; Li, Yadong

2016-08-26

A new strategy for achieving stable Co single atoms (SAs) on nitrogen-doped porous carbon with high metal loading over 4 wt % is reported. The strategy is based on a pyrolysis process of predesigned bimetallic Zn/Co metal-organic frameworks, during which Co can be reduced by carbonization of the organic linker and Zn is selectively evaporated away at high temperatures above 800 °C. The spherical aberration correction electron microscopy and extended X-ray absorption fine structure measurements both confirm the atomic dispersion of Co atoms stabilized by as-generated N-doped porous carbon. Surprisingly, the obtained Co-Nx single sites exhibit superior ORR performance with a half-wave potential (0.881 V) that is more positive than commercial Pt/C (0.811 V) and most reported non-precious metal catalysts. Durability tests revealed that the Co single atoms exhibit outstanding chemical stability during electrocatalysis and thermal stability that resists sintering at 900 °C. Our findings open up a new routine for general and practical synthesis of a variety of materials bearing single atoms, which could facilitate new discoveries at the atomic scale in condensed materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structures, stabilities, and electronic properties for rare-earth lanthanum doped gold clusters

International Nuclear Information System (INIS)

Zhao, Ya-Ru

2015-01-01

The structures, stabilities, and electronic properties of rare-earth lanthanum doped gold La 2 Au n (n = 1-9) and pure gold Au n (n ≤ 11) clusters have been investigated by using density functional theory. The optimized geometries show that the lowest energy structures of La 2 Au n clusters favour the 3D structure at n ≥ 3. The lanthanum atoms can strongly enhance the stabilities of gold clusters and tend to occupy the most highly coordinated position. By analysing the gap, vertical ionization potential, and chemical hardness, it is found that the La 2 Au 6 isomer possesses higher stability for small-sized La 2 Au n clusters (n = 1-9). The charges in the La 2 Au n clusters transfer from La atoms to the Au n host. In addition, Wiberg bond indices analysis reveals that the intensity of different bonds of La 2 Au n clusters exhibits a sequence of La-La bond > La-Au bond > Au-Au bond.

Robust stability analysis of large power systems using the structured singular value theory

Energy Technology Data Exchange (ETDEWEB)

Castellanos, R.; Sarmiento, H. [Instituto de Investigaciones Electricas, Cuernavaca, Morelos (Mexico); Messina, A.R. [Cinvestav, Graduate Program in Electrical Engineering, Guadalajara, Jalisco (Mexico)

2005-07-01

This paper examines the application of structured singular value (SSV) theory to analyse robust stability of complex power systems with respect to a set of structured uncertainties. Based on SSV theory and the frequency sweep method, techniques for robust analysis of large-scale power systems are developed. The main interest is focused on determining robust stability for varying operating conditions and uncertainties in the structure of the power system. The applicability of the proposed techniques is verified through simulation studies on a large-scale power system. In particular, results for the system are considered for a wide range of uncertainties of operating conditions. Specifically, the developed technique is used to estimate the effect of variations in the parameters of a major system inter-tie on the nominal stability of a critical inter-area mode. (Author)

New insights into structural determinants of prion protein folding and stability.

Science.gov (United States)

Benetti, Federico; Legname, Giuseppe

2015-01-01

Prions are the etiological agent of fatal neurodegenerative diseases called prion diseases or transmissible spongiform encephalopathies. These maladies can be sporadic, genetic or infectious disorders. Prions are due to post-translational modifications of the cellular prion protein leading to the formation of a β-sheet enriched conformer with altered biochemical properties. The molecular events causing prion formation in sporadic prion diseases are still elusive. Recently, we published a research elucidating the contribution of major structural determinants and environmental factors in prion protein folding and stability. Our study highlighted the crucial role of octarepeats in stabilizing prion protein; the presence of a highly enthalpically stable intermediate state in prion-susceptible species; and the role of disulfide bridge in preserving native fold thus avoiding the misfolding to a β-sheet enriched isoform. Taking advantage from these findings, in this work we present new insights into structural determinants of prion protein folding and stability.

Frequency scanning-based stability analysis method for grid-connected inverter system

DEFF Research Database (Denmark)

Wang, Yanbo; Wang, Xiongfei; Blaabjerg, Frede

2017-01-01

This paper proposes a frequency scanning-based impedance analysis for stability assessment of grid-connected inverter system, which is able to perform stability assessment without using system mathematical models and inherit the superior feature of impedance-based stability criterion with conside......This paper proposes a frequency scanning-based impedance analysis for stability assessment of grid-connected inverter system, which is able to perform stability assessment without using system mathematical models and inherit the superior feature of impedance-based stability criterion...... with consideration of the inverter nonlinearities. Small current disturbance is injected into grid-connected inverter system in a particular frequency range, and the impedance is computed according to the harmonic-frequency response using Fourier analysis, and then the stability is predicted on the basis...... of the impedance stability criterion. The stability issues of grid-connected inverters with grid-current feedback and the converter-current feedback are addressed using the proposed method. The results obtained from simulation and experiments validate the effectiveness of the method. The frequency scanning...

Structural Stability of Light-harvesting Protein LH2 Adsorbed on Mesoporous Silica Supports.

Science.gov (United States)

Shibuya, Yuuta; Itoh, Tetsuji; Matsuura, Shun-ichi; Yamaguchi, Akira

2015-01-01

In the present study, we examined the reversible thermal deformation of the membrane protein light-harvesting complex LH2 adsorbed on mesoporous silica (MPS) supports. The LH2 complex from Thermochromatium tepidum cells was conjugated to MPS supports with a series of pore diameter (2.4 to 10.6 nm), and absorption spectra of the resulting LH2/MPS conjugates were observed over a temperature range of 273 - 313 K in order to examine the structure of the LH2 adsorbed on the MPS support. The experimental results confirmed that a slight ellipsoidal deformation of LH2 was induced by adsorption on the MPS supports. On the other hand, the structural stability of LH2 was not perturbed by the adsorption. Since the pore diameter of MPS support did not influence the structural stability of LH2, it could be considered that the spatial confinement of LH2 in size-matches pore did not improve the structural stability of LH2.

Selective amygdalohippocampectomy via trans-superior temporal gyrus keyhole approach.

Science.gov (United States)

Mathon, Bertrand; Clemenceau, Stéphane

2016-04-01

Hippocampal sclerosis is the most common cause of drug-resistant epilepsy amenable for surgical treatment and seizure control. The rationale of the selective amygdalohippocampectomy is to spare cerebral tissue not included in the seizure generator. Describe the selective amygdalohippocampectomy through the trans-superior temporal gyrus keyhole approach. Selective amygdalohippocampectomy for temporal lobe epilepsy is performed when the data (semiology, neuroimaging, electroencephalography) point to the mesial temporal structures. The trans-superior temporal gyrus keyhole approach is a minimally invasive and safe technique that allows disconnection of the temporal stem and resection of temporomesial structures.

The structure of nuclei far from beta stability

International Nuclear Information System (INIS)

Zganjar, E.F.

1991-01-01

This report discusses the structural of nuclei for from beta stability of the following isotopes: thallium isotopes; mercury isotopes; gold isotopes; platinum isotopes; iridium isotopes; the neutron deficient rare-earth, Z = 57-72 region, and the neutron deficient Z = 50-56 region; also discussed are in-beam spectroscopy in the A = 70 region and shape coexistence, intruder states, and EO transitions

The stability of gabion walls for earth retaining structures

OpenAIRE

Mahyuddin Ramli; T.J.r. Karasu; Eethar Thanon Dawood

2013-01-01

The stability of earth retaining structures in flood prone areas has become a serious problem in many countries. The two most basic causes of failure arising from flooding are scouring and erosion of the foundation of the superstructure. Hence, a number of structures like bridges employ scour-arresting devices, e.g., gabions to acting on the piers and abutments during flooding. Research was therefore undertaken to improve gabion resistance against lateral movement by means of an interlocking ...

Yield stability and relationships among stability parameters in faba bean (Vicia faba L. genotypes

Directory of Open Access Journals (Sweden)

Tamene Temesgen

2015-06-01

Full Text Available Sixteen faba bean genotypes were evaluated in 13 environments in Ethiopia during the main cropping season for three years (2009–2011. The objectives of the study were to evaluate the yield stability of the genotypes and the relative importance of different stability parameters for improving selection in faba bean. The study was conducted using a randomized complete block design with four replications. G × E interaction and yield stability were estimated using 17 different stability parameters. Pooled analysis of variance for grain yield showed that the main effects of both genotypes and environments, and the interaction effect, were highly significant (P ≤ 0.001 and (P ≤ 0.01, respectively. The environment main effect accounted for 89.27% of the total yield variation, whereas genotype and G × E interaction effects accounted for 2.12% and 3.31%, respectively. Genotypic superiority index (Pi and FT3 were found to be very informative for selecting both high-yielding and stable faba bean genotypes. Twelve of the 17 stability parameters, including CVi, RS, α, λ, S2di, bi, Si(2, Wi, σi2, EV, P59, and ASV, were influenced simultaneously by both yield and stability. They should accordingly be used as complementary criteria to select genotypes with high yield and stability. Although none of the varieties showed consistently superior performance across all environments, the genotype EK 01024-1-2 ranked in the top third of the test entries in 61.5% of the test environments and was identified as the most stable genotype, with type I stability. EK 01024-1-2 also showed a 17.0% seed size advantage over the standard varieties and was released as a new variety in 2013 for wide production and named “Gora”. Different stability parameters explained genotypic performance differently, irrespective of yield performance. It was accordingly concluded that assessment of G × E interaction and yield stability should not be based on a single or a few

Frame Stability of Tunnel‐Structured Cryptomelane Nanofibers: The Role of Tunnel Cations

DEFF Research Database (Denmark)

Gao, Tao; Norby, Poul

2013-01-01

precursor to the tunnel‐structured cryptomelane, in which the K+ ions play important roles in templating and stabilizing the tunneled framework. The presence of tunnel K+ ions also enhances the frame stability of the cryptomelane nanofibers at elevated temperatures. The formation of a layered KxMn2O4 (x ≈ 0...

Elastic stability of biaxially loaded longitudinally stiffened composite structures.

Science.gov (United States)

Viswanathan, A. V.; Tamekuni, M.; Tripp, L. L.

1973-01-01

A linear analysis method is presented for the elastic stability of structures of uniform cross section, that may be idealized as an assemblage of laminated plate-strips, flat and curved, and beams. Each plate-strip and beam covers the entire length of the structure and is simply supported on the edges normal to the longitudinal axis. Arbitrary boundary conditions may be specified on any external longitudinal side of plate-strips. The structure or selected plate-strips may be loaded in any desired combination of inplane biaxial loads. The analysis simultaneously considers all modes of instability and is applicable for the buckling of laminated composite structures. Some numerical results are presented to indicate possible applications.

Influences of the Structure of Lipids on Thermal Stability of Lipid Membranes

International Nuclear Information System (INIS)

Hai Nan-Nan; Zhou Xin; Li Ming

2015-01-01

The binding free energy (BFE) of lipid to lipid bilayer is a critical factor to determine the thermal or mechanical stability of the bilayer. Although the molecular structure of lipids has significant impacts on BFE of the lipid, there lacks a systematic study on this issue. In this paper we use coarse-grained molecular dynamics simulation to investigate this problem for several typical phospholipids. We find that both the tail length and tail unsaturation can significantly affect the BFE of lipids but in opposite way, namely, BFE decreases linearly with increasing length, but increases linearly with addition of unsaturated bonds. Inspired by the specific structure of cholesterol which is a crucial component of biomembrane, we also find that introduction of carbo-ring-like structures to the lipid tail or to the bilayer may greatly enhance the stability of the bilayer. Our simulation also shows that temperature can influence the bilayer stability and this effect can be significant when the bilayer undergoes phase transition. These results may be helpful to the design of liposome or other self-assembled lipid systems. (paper)

Improved ferroelectric/piezoelectric properties and bright green/UC red emission in (Li,Ho)-doped CaBi4Ti4O15 multifunctional ceramics with excellent temperature stability and superior water-resistance performance.

Science.gov (United States)

Xiao, Ping; Guo, Yongquan; Tian, Mijie; Zheng, Qiaoji; Jiang, Na; Wu, Xiaochun; Xia, Zhiguo; Lin, Dunmin

2015-10-21

Multifunctional materials based on rare earth ion doped ferro/piezoelectrics have attracted considerable attention in recent years. In this work, new lead-free multifunctional ceramics of Ca1-x(LiHo)x/2Bi4Ti4O15 were prepared by a conventional solid-state reaction method. The great multi-improvement in ferroelectricity/piezoelectricity, down/up-conversion luminescence and temperature stability of the multifunctional properties is induced by the partial substitution of (Li0.5Ho0.5)(2+) for Ca(2+) ions in CaBi4Ti4O15. All the ceramics possess a bismuth-layer structure, and the crystal structure of the ceramics is changed from a four layered bismuth-layer structure to a three-layered structure with the level of (Li0.5Ho0.5)(2+) increasing. The ceramic with x = 0.1 exhibits simultaneously, high resistivity (R = 4.51 × 10(11)Ω cm), good piezoelectricity (d33 = 10.2 pC N(-1)), high Curie temperature (TC = 814 °C), strong ferroelectricity (Pr = 9.03 μC cm(-2)) and enhanced luminescence. These behaviours are greatly associated with the contribution of (Li0.5Ho0.5)(2+) in the ceramics. Under the excitation of 451 nm light, the ceramic with x = 0.1 exhibits a strong green emission peak centered at 545 nm, corresponding to the transition of the (5)S2→(5)I8 level in Ho(3+) ions, while a strong red up-conversion emission band located at 660 nm is observed under the near-infrared excitation of 980 nm at room temperature, arising from the transition of (5)F5→(5)I8 levels in Ho(3+) ions. Surprisingly, the excellent temperature stability of ferroelectricity/piezoelectricity/luminescence and superior water-resistance behaviors of piezoelectricity/luminescence are also obtained in the ceramic with x = 0.1. Our study suggests that the present ceramics may have potential applications in advanced multifunctional devices at high temperature.

Double-Layer Structured CO2 Adsorbent Functionalized with Modified Polyethyleneimine for High Physical and Chemical Stability.

Science.gov (United States)

Jeon, Sunbin; Jung, Hyunchul; Kim, Sung Hyun; Lee, Ki Bong

2018-06-18

CO 2 capture using polyethyleneimine (PEI)-impregnated silica adsorbents has been receiving a lot of attention. However, the absence of physical stability (evaporation and leaching of amine) and chemical stability (urea formation) of the PEI-impregnated silica adsorbent has been generally established. Therefore, in this study, a double-layer impregnated structure, developed using modified PEI, is newly proposed to enhance the physical and chemical stabilities of the adsorbent. Epoxy-modified PEI and diepoxide-cross-linked PEI were impregnated via a dry impregnation method in the first and second layers, respectively. The physical stability of the double-layer structured adsorbent was noticeably enhanced when compared to the conventional adsorbents with a single layer. In addition to the enhanced physical stability, the result of simulated temperature swing adsorption cycles revealed that the double-layer structured adsorbent presented a high potential working capacity (3.5 mmol/g) and less urea formation under CO 2 -rich regeneration conditions. The enhanced physical and chemical stabilities as well as the high CO 2 working capacity of the double-layer structured adsorbent were mainly attributed to the second layer consisting of diepoxide-cross-linked PEI.

Decentralized linear quadratic power system stabilizers for multi ...

Indian Academy of Sciences (India)

Linear quadratic stabilizers are well-known for their superior control capabilities when compared to the conventional lead–lag power system stabilizers. However, they have not seen much of practical importance as the state variables are generally not measurable; especially the generator rotor angle measurement is not ...

Understanding structure-stability relationships of Candida antartica lipase B in ionic liquids.

Science.gov (United States)

De Diego, Teresa; Lozano, Pedro; Gmouh, Said; Vaultier, Michel; Iborra, José L

2005-01-01

Two different water-immiscible ionic liquids (ILs), 1-ethyl-3-methylimidizolium bis(trifluoromethylsulfonyl)imide and butyltrimethylammonium bis(trifluoromethylsulfonyl)imide, were used for butyl butyrate synthesis from vinyl butyrate catalyzed by Candida antarctica lipase B (CALB) at 2% (v/v) water content and 50 degrees C. Both the synthetic activity and stability of the enzyme in these ILs were enhanced as compared to those in hexane. Circular dichroism and intrinsic fluorescence spectroscopic techniques have been used over a period of 4 days to determine structural changes in the enzyme associated with differences in its stability for each assayed medium. CALB showed a loss in residual activity higher than 75% after 4 days of incubation in both water and hexane media at 50 degrees C, being related to great changes in both alpha-helix and beta-strand secondary structures. The stabilization of CALB, which was observed in the two ILs studied, was associated with both the maintenance of the 50% of initial alpha-helix content and the enhancement of beta-strands. Furthermore, intrinsic fluorescence studies clearly showed how a classical enzyme unfolding was occurring with time in both water and hexane media. However, the structural changes associated with the incubation of the enzyme in both ILs might be attributed to a compact and active enzyme conformation, resulting in an enhancement of the stability in these nonaqueous environments.

Preparation of nanodispersed titania using stabilized ammonium nitrate melts

KAUST Repository

Raciulete, Monica; Kachina, Anna; Puzenat, Eric; Afanasiev, Pavel

2010-01-01

in photocatalytic oxidation of formic acid also depends on the nature of the stabilizer. The catalysts as-prepared showed high photocatalytic performance, superior to that of the Degussa P25 reference. Nitrogen containing stabilizers play a double role of increasing

Stability analysis and structural rules of titanium dioxide clusters (TiO2)n with n = 1-9

International Nuclear Information System (INIS)

Zhang Weiwei; Han Ye; Yao Shuyu; Sun Haiqing

2011-01-01

Highlights: · We investigated the structure and stability of (TiO 2 ) n clusters with n = 1-9. · Some initial structures are introduced and proved to be the real global minimum. · We summarized the structural rules for small (TiO 2 ) n clusters. · The bonding features for the energy increment or decrement of the clusters are investigated. · A general shift of stability and reactivity with size for (TiO 2 ) n clusters. - Abstract: Atomic clusters have been considered as models for fundamental mechanistic insight into complex surfaces and catalysts. The structure and stability of (TiO 2 ) n clusters with n = 1-9 are investigated using the b3lyp hybrid density functional method in this paper. Some of the clusters are proposed initially and proved to be the real global minima. The stability and band gap of the clusters as a function of size are also investigated. The structural rules of the clusters are first summarized. The lowest-lying (TiO 2 ) n isomers tend to form some compact rather than quasi-linear or circular structures. The oxygen atom in 4-fold coordination and the titanium atom in 4-fold coordination favor the cluster stability. The 5-fold coordinated Ti-atom, the Ti-Ti bond and the terminal Ti-O bond lead to stability penalty for the clusters. No evidence for a regular variation in stability or reactivity with size of the clusters has shown. The structural rules can serve as guiding factors for formation research and structure design of (TiO 2 ) n and other transition metal oxide clusters.

Structural Stability and Vibration

DEFF Research Database (Denmark)

Wiggers, Sine Leergaard; Pedersen, Pauli

This book offers an integrated introduction to the topic of stability and vibration. Strikingly, it describes stability as a function of boundary conditions and eigenfrequency as a function of both boundary conditions and column force. Based on a post graduate course held by the author at the Uni...... and their derivation, thus stimulating them to write interactive and dynamic programs to analyze instability and vibrational modes....

The effect of relativity on stability of Copernicium phases, their electronic structure and mechanical properties

Science.gov (United States)

Čenčariková, Hana; Legut, Dominik

2018-05-01

The phase stability of the various crystalline structures of the super-heavy element Copernicium was determined based on the first-principles calculations with different levels of the relativistic effects. We utilized the Darwin term, mass-velocity, and spin-orbit interaction with the single electron framework of the density functional theory while treating the exchange and correlation effects using local density approximations. It is found that the spin-orbit coupling is the key component to stabilize the body-centered cubic (bcc) structure over the hexagonal closed packed (hcp) structure, which is in accord with Sol. Stat. Comm. 152 (2012) 530, but in contrast to Atta-Fynn and Ray (2015) [11], Gaston et al. (2007) [10], Papaconstantopoulos (2015) [9]. It seems that the main role here is the correct description of the semi-core relativistic 6p1/2 orbitals. The all other investigated structures, i.e. face-centered cubic (fcc) , simple cubic (sc) as well as rhombohedral (rh) structures are higher in energy. The criteria of mechanical stability were investigated based on the calculated elastic constants, identifying the phase instability of fcc and rh structures, but surprisingly confirm the stability of the energetically higher sc structure. In addition, the pressure-induced structural transition between two stable sc and bcc phases has been detected. The ground-state bcc structure exhibits the highest elastic anisotropy from single elements of the Periodic table. At last, we support the experimental findings that Copernicium is a metal.

Encapsulating Silica/Antimony into Porous Electrospun Carbon Nanofibers with Robust Structure Stability for High-Efficiency Lithium Storage.

Science.gov (United States)

Wang, Hongkang; Yang, Xuming; Wu, Qizhen; Zhang, Qiaobao; Chen, Huixin; Jing, Hongmei; Wang, Jinkai; Mi, Shao-Bo; Rogach, Andrey L; Niu, Chunming

2018-04-24

To address the volume-change-induced pulverization problems of electrode materials, we propose a "silica reinforcement" concept, following which silica-reinforced carbon nanofibers with encapsulated Sb nanoparticles (denoted as SiO 2 /Sb@CNFs) are fabricated via an electrospinning method. In this composite structure, insulating silica fillers not only reinforce the overall structure but also contribute to additional lithium storage capacity; encapsulation of Sb nanoparticles into the carbon-silica matrices efficiently buffers the volume changes during Li-Sb alloying-dealloying processes upon cycling and alleviates the mechanical stress; the porous carbon nanofiber framework allows for fast charge transfer and electrolyte diffusion. These advantageous characteristics synergistically contribute to the superior lithium storage performance of SiO 2 /Sb@CNF electrodes, which demonstrate excellent cycling stability and rate capability, delivering reversible discharge capacities of 700 mA h/g at 200 mA/g, 572 mA h/g at 500 mA/g, and 468 mA h/g at 1000 mA/g each after 400 cycles. Ex situ as well as in situ TEM measurements confirm that the structural integrity of silica-reinforced Sb@CNF electrodes can efficiently withstand the mechanical stress induced by the volume changes. Notably, the SiO 2 /Sb@CNF//LiCoO 2 full cell delivers high reversible capacities of ∼400 mA h/g after 800 cycles at 500 mA/g and ∼336 mA h/g after 500 cycles at 1000 mA/g.

Ceramic stabilization of hazardous wastes: a high performance room temperature process

International Nuclear Information System (INIS)

Maloney, M.D.

1996-01-01

ANL has developed a room-temperature process for converting hazardous materials to a ceramic structure. It is similar to vitrification but is achieved at low cost, similar to conventional cement stabilization. The waste constituents are both chemically stabilized and physically encapsulated, producing very low leaching levels and the potential for delisting. The process, which is pH-insensitive, is ideal for inorganic sludges and liquids, as well as mixed chemical-radioactive wastes, but can also handle significant percentages of salts and even halogenated organics. High waste loadings are possible and densification occurs,so that volumes are only slightly increased and in some cases (eg, incinerator ash) are reduced. The ceramic product has strength and weathering properties far superior to cement products

Monte Carlo analysis of critical phenomenon of the Ising model on memory stabilizer structures

International Nuclear Information System (INIS)

Viteri, C. Ricardo; Tomita, Yu; Brown, Kenneth R.

2009-01-01

We calculate the critical temperature of the Ising model on a set of graphs representing a concatenated three-bit error-correction code. The graphs are derived from the stabilizer formalism used in quantum error correction. The stabilizer for a subspace is defined as the group of Pauli operators whose eigenvalues are +1 on the subspace. The group can be generated by a subset of operators in the stabilizer, and the choice of generators determines the structure of the graph. The Wolff algorithm, together with the histogram method and finite-size scaling, is used to calculate both the critical temperature and the critical exponents of each structure. The simulations show that the choice of stabilizer generators, both the number and the geometry, has a large effect on the critical temperature.

Structural properties and out-of-plane stability of roller bent steel arches

NARCIS (Netherlands)

Spoorenberg, R.C.

2011-01-01

In contemporary architecture the use of steel arches has seen a significant increase. They are applied in buildings and large span bridges, combining structural design with architectural merits. For arches lacking lateral support (or freestanding arches) the out-of-plane structural stability

Structural homeostasis in the nervous system: A balancing act for wiring plasticity and stability

Directory of Open Access Journals (Sweden)

Jun eYin

2015-01-01

Full Text Available Experience-dependent modifications of neural circuits provide the cellular basis for functional adaptation and learning, while presenting significant challenges to the stability of neural networks. The nervous system copes with these perturbations through a variety of compensatory mechanisms with distinct spatial and temporal profiles. Mounting evidence suggests that structural plasticity, through modifications of the number and structure of synapses, or changes in local and long-range connectivity, might contribute to the stabilization of network activity and serve as an important component of the homeostatic regulation of the nervous system. Conceptually similar to the homeostatic regulation of synaptic strength and efficacy, homeostatic structural plasticity has a profound and lasting impact on the intrinsic excitability of the neuron and circuit properties, yet remains largely unexplored. In this review, we examine recent reports describing structural modifications associated with functional compensation in both developing and adult nervous systems, and discuss the potential role for structural homeostasis in maintaining network stability and its implications in physiological and pathological conditions of the nervous systems.

Superior refining performance beyond 2000 -- Breaking traditional paradigms

International Nuclear Information System (INIS)

Tassel, B. van

1995-01-01

Over the last 5 years, refining companies have not performed well financially, generating returns below the cost of capital. Environmental regulations have caused the industry to invest significant amounts of capital, and while new regulations will cause the shutdown of between 500 thousand and 1.2 million barrels per day of capacity, the industry structure will remain poor and financial returns for the average player will likely be volatile, cyclical, and below the cost of capital. Based on this industry outlook, refining companies seeking superior performance will have to break the traditional paradigms and adopt world-class practices used in other industries. Changes required to significantly improve financial returns will include shifts in business strategy to accommodate growth, and development of nontraditional services, as well as initiates to dramatically reshape cost structure and improve profitability. Making the changes to become a superior performer in the refining business will require a clear vision and strong leadership at multiple levels in the organization. The transformation will also require changes in company culture and incentive plans that encourage managers to act as owners. In addition, superior performers will push accountability for results to low levels in the organization. Given the herd mentality of the oil industry, superior performers must take decisive, preemptive action to generate a substantial, competitive advantage

Superior refining performance beyond 2000 -- Breaking traditional paradigms

Energy Technology Data Exchange (ETDEWEB)

Tassel, B. van [McKinsey and Co., Inc., Houston, TX (United States)

1995-09-01

Over the last 5 years, refining companies have not performed well financially, generating returns below the cost of capital. Environmental regulations have caused the industry to invest significant amounts of capital, and while new regulations will cause the shutdown of between 500 thousand and 1.2 million barrels per day of capacity, the industry structure will remain poor and financial returns for the average player will likely be volatile, cyclical, and below the cost of capital. Based on this industry outlook, refining companies seeking superior performance will have to break the traditional paradigms and adopt world-class practices used in other industries. Changes required to significantly improve financial returns will include shifts in business strategy to accommodate growth, and development of nontraditional services, as well as initiates to dramatically reshape cost structure and improve profitability. Making the changes to become a superior performer in the refining business will require a clear vision and strong leadership at multiple levels in the organization. The transformation will also require changes in company culture and incentive plans that encourage managers to act as owners. In addition, superior performers will push accountability for results to low levels in the organization. Given the herd mentality of the oil industry, superior performers must take decisive, preemptive action to generate a substantial, competitive advantage.

Oxidative stability during storage of structured lipids produced from fish oil and caprylic acid

DEFF Research Database (Denmark)

Nielsen, Nina Skall; Xu, Xuebing; Timm Heinrich, Maike

2004-01-01

Structured lipids produced by enzymatic or chemical methods for different applications have been receiving considerable attention. The oxidative stability of a randomized structured lipid (RFO), produced by chemical interesterification from fish oil (FO) and tricaprylin, and a specific structured...... lipid (SFO), produced by enzymatic interesterification from the same oil and caprylic acid, was compared with the stability of FO. Oils were stored at 2degreesC for 11 wk followed by storage at 20degreesC for 6 wk. In addition, the antioxidative effect of adding the metal chelators EDTA or citric acid...

Microflora and structural stability of soils

International Nuclear Information System (INIS)

Guckert, A.; Chone, Therese; Jacquin, F.; Institut National Polytechnique, 54 - Nancy; Centre National de la Recherche Scientifique, 54 - Vandoeuvre-les-Nancy

1975-01-01

Water stable aggregates produced during the incubation of a loamy soil amended with glucose 14 C show a quite differing evolution of their physical properties and their organic matter according to the time of incubation after which they have been isolated from the soil by water sieving. The aggregates, built up during the first week of incubation, therefore during the maximal activity stage of the microflora of the soil, present the highest stability against biodegradation induced by a second incubation process, even if this one has reached six weeks. This evolution of the physical properties of the aggregates, is essentially in relationship with the microbially synthetized organic matter and especially the polysaccharides preferentially incorporated into the humine fraction. This relatively labile microbial humine has a high aggregating effect, the polysaccharide chains forming several bonds between the neighbouring clay surfaces and building up stable structural units. The mechanical strength of these aggregates is related to the stabilization of the humine produced previously and whose evolution towards a relatively stable form seems to be the result of two mechanisms: a secundary biodegradation parallel to a higher humification process of the organic matter and a increase of the bonds between polysaccharides and clay surfaces favoured by the alternation of wetting and drying [fr

Electronic structure and phase stability during martensitic transformation in Al-doped ZrCu intermetallics

International Nuclear Information System (INIS)

Qiu Feng; Shen Ping; Liu Tao; Lin Qiaoli; Jiang Qichuan

2010-01-01

Martensitic transformation, phase stability and electronic structure of Al-doped ZrCu intermetallics were investigated by experiments and first-principles calculations using the pseudopotentials plane wave method. The formation energy calculations indicate that the stability of the ZrCu phase increases with the increasing Al content. Al plays a decisive role in controlling the formation and microstructures of the martensite phases in Zr-Cu-Al alloys. The total energy difference between ZrCu (B2) austenite and ZrCu martensite plays an important role in the martensitic transformation. The phase stability is dependent on its electronic structure. The densities of states (DOS) of the intermetallics were discussed in detail.

Effects of PEG size on structure, function and stability of PEGylated BSA

DEFF Research Database (Denmark)

Plesner, Bitten; Fee, Conan J.; Westh, Peter

2011-01-01

The effects of PEGylation on the structural, thermal and functional stability of bovine serum albumin (BSA) were investigated using BSA and 6 linear mono-PEGylated BSA compounds. The secondary and tertiary structure of BSA measured by circular dichroism (CD) was independent of PEGylation. In cont...

Structure and stability of accretion-disk around a black-hole

Energy Technology Data Exchange (ETDEWEB)

Shibazaki, N; Hoshi, R [Rikkyo Univ., Tokyo (Japan). Dept. of Physics

1975-09-01

Structure and stability of a stationary thin-disk formed around a black-hole are studied using the conventional formula for the viscous stress. The disk is classified into an optically thick case, an optically thin case and an intermediate case in which the comptonization plays an important role. Thermal and secular stabilities are examined in each of the above three cases. High temperatures in excess of 10sup(9 0)K are expected in the optically thin case and in the comptonization dominant case. However, it is shown that in these cases the disk is unstable for the thermal perturbation.

Local chromatin structure of heterochromatin regulates repeated DNA stability, nucleolus structure, and genome integrity

Energy Technology Data Exchange (ETDEWEB)

Peng, Jamy C. [Univ. of California, Berkeley, CA (United States)

2007-01-01

Heterochromatin constitutes a significant portion of the genome in higher eukaryotes; approximately 30% in Drosophila and human. Heterochromatin contains a high repeat DNA content and a low density of protein-encoding genes. In contrast, euchromatin is composed mostly of unique sequences and contains the majority of single-copy genes. Genetic and cytological studies demonstrated that heterochromatin exhibits regulatory roles in chromosome organization, centromere function and telomere protection. As an epigenetically regulated structure, heterochromatin formation is not defined by any DNA sequence consensus. Heterochromatin is characterized by its association with nucleosomes containing methylated-lysine 9 of histone H3 (H3K9me), heterochromatin protein 1 (HP1) that binds H3K9me, and Su(var)3-9, which methylates H3K9 and binds HP1. Heterochromatin formation and functions are influenced by HP1, Su(var)3-9, and the RNA interference (RNAi) pathway. My thesis project investigates how heterochromatin formation and function impact nuclear architecture, repeated DNA organization, and genome stability in Drosophila melanogaster. H3K9me-based chromatin reduces extrachromosomal DNA formation; most likely by restricting the access of repair machineries to repeated DNAs. Reducing extrachromosomal ribosomal DNA stabilizes rDNA repeats and the nucleolus structure. H3K9me-based chromatin also inhibits DNA damage in heterochromatin. Cells with compromised heterochromatin structure, due to Su(var)3-9 or dcr-2 (a component of the RNAi pathway) mutations, display severe DNA damage in heterochromatin compared to wild type. In these mutant cells, accumulated DNA damage leads to chromosomal defects such as translocations, defective DNA repair response, and activation of the G2-M DNA repair and mitotic checkpoints that ensure cellular and animal viability. My thesis research suggests that DNA replication, repair, and recombination mechanisms in heterochromatin differ from those in

Decentralized stabilization of semi-active vibrating structures

Science.gov (United States)

Pisarski, Dominik

2018-02-01

A novel method of decentralized structural vibration control is presented. The control is assumed to be realized by a semi-active device. The objective is to stabilize a vibrating system with the optimal rates of decrease of the energy. The controller relies on an easily implemented decentralized switched state-feedback control law. It uses a set of communication channels to exchange the state information between the neighboring subcontrollers. The performance of the designed method is validated by means of numerical experiments performed for a double cantilever system equipped with a set of elastomers with controlled viscoelastic properties. In terms of the assumed objectives, the proposed control strategy significantly outperforms the passive damping cases and is competitive with a standard centralized control. The presented methodology can be applied to a class of bilinear control systems concerned with smart structural elements.

Strength Analysis of Coconut Fiber Stabilized Earth for Farm Structures

Science.gov (United States)

Enokela, O. S.; P. O, Alada

2012-07-01

Investigation of the strength characteristic of soil from alluvial deposit of River Benue in makurdi stabilized with coconut fiber as a stabilizer was carried as local building material for farm structure. Processed coconut fibers were mixed with the soil at four different mix ratios of 1% fiber, 2% fiber, 3% fiber and 4% fiber by percentage weight with 0% fiber as control. Compaction test and compressive strength were carried out on the various stabilizing ratio. From the compaction test, the correlation between the maximum dry density and optimum moisture content is a second order polynomial with a coefficient of 63% obtained at1.91kg/m3and 20.0% respectively while the compressive strength test shows an optimum failure load of 8.62N/mm2 at 2%fibre:100% soil mix ratio at 2.16 maximum dry density.

Stabilization of structure in near-infrared fluorescent proteins by binding of biliverdin chromophore

Science.gov (United States)

Stepanenko, Olesya V.; Stepanenko, Olga V.; Bublikov, G. S.; Kuznetsova, I. M.; Verkhusha, V. V.; Turoverov, K. K.

2017-07-01

Near-infrared fluorescent proteins (NIR FPs) engineered from bacterial phytochromes and their mutants with different location of Cys residues, which able to bind a biliverdin chromophore, or without these Cys residues were studied using intrinsic tryptophan fluorescence, NIR fluorescence and circular dichroism. It was shown that a covalent binding of the biliverdin chromophore to a Cys residue via thioether group substantially stabilizes the spatial structure of NIR FPs. The stability of the protein structure and the chromophore association strength strongly depends on the location of Cys residues and decreases in the following order: a protein with Cys residues in both domains, a protein with Cys in PAS domains, and a protein with Cys in GAF domains. NIR FPs without Cys residues capable to covalently attach biliverdin have the lowest stability, comparable to NIR FP apoforms.

MnO-carbon hybrid nanofiber composites as superior anode materials for lithium-ion batteries

International Nuclear Information System (INIS)

Wang, Jian-Gan; Yang, Ying; Huang, Zheng-Hong; Kang, Feiyu

2015-01-01

MnO-carbon hybrid nanofiber composites are fabricated by electrospinning polyimide/manganese acetylacetonate precursor and a subsequent carbonization process. The composition, phase structure and morphology of the composites are characterized by scanning and transmission electron microscopy, X-ray diffraction and thermogravimetric analysis. The results indicate that the composites exhibit good nanofibrous morphology with MnO nanoparticles uniformly encapsulated by carbon nanofibers. The hybrid nanofiber composites are used directly as freestanding anodes for lithium-ion batteries to evaluate their electrochemical properties. It is found that the optimized MnO-carbon nanofiber composite can deliver a high reversible capacity of 663 mAh g −1 , along with excellent cycling stability and good rate capability. The superior performance enables the composites to be promising candidates as an anode alternative for high-performance lithium-ion batteries

Marketing at Superior: Theory meets application in the field

International Nuclear Information System (INIS)

Jeffrey, S.

1992-01-01

The field marketing practices of Superior Propane in rural Ontario are illustrated. In the Smithville area, Superior's customer base consists of agricultural, industrial, commercial, and residential customers, plus a large market for auto propane. A 6,900 ft 2 showroom presents a representative selection of the wide range of appliances using propane. Superior's Smithville branch is one of the top five in Canada, in terms of volume. To expand business beyond its traditional branch structures, Superior has an Independent Partners Program which is aimed at all phases of business including independent sales agents, conversions, propane fuel stops, appliance installations, and building contractors. In Keswick, located in the summer resort region on the south shore of Lake Simcoe, Superior's base load is 40% commercial and 20% each agricultural, residential, and automotive. A new 4,100 ft 2 showroom was recently constructed with separate display units for each appliance. The new building has brought increases in auto propane and appliance sales. The different branches of Superior Propane are able to tailor their marketing programs according to local needs by choosing the appropriate programs from those available at head office. 5 figs

Importance of structural stability to success of mourning dove nests

Science.gov (United States)

Coon, R.A.; Nichols, J.D.; Percival, H.F.

1981-01-01

Studies of nest-site selection and nesting habitats often involve a "characterization" of nests and of habitats in which nests are found. Our objective in the present work is to identify nest-site characteristics that are associated with variation in components of Mourning Dove (Zenaida macroura) fitness (e.g. the probability of a nest succeeding), as opposed to simply "characterizing" dove nest sites. If certain nest- site characteristics affect the probability that a nest will succeed, then we suspect that these characteristics will be associated with either concealment (the probability of detection by certain predators) or structural stability (the probability of eggs or entire nests falling to the ground as a result of wind, rain storms, parental activity, etc.). Although other workers agree that structural stability is an important determinant of Mourning Dove nesting success (e.g. McClure 1944: 384; Woolfenden and Rohwer 1969: 59), we are aware of no actual tests of this hypothesis.

Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability

OpenAIRE

Školáková, Andrea; Novák, Pavel; Mejzlíková, Lucie; Průša, Filip; Salvetr, Pavel; Vojtěch, Dalibor

2017-01-01

In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these allo...

Influence of structured sidewalls on the wetting states and superhydrophobic stability of surfaces with dual-scale roughness

Energy Technology Data Exchange (ETDEWEB)

Wu, Huaping, E-mail: wuhuaping@gmail.com [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024 (China); Zhu, Kai; Wu, Bingbing [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Lou, Jia [Piezoelectric Device Laboratory, Department of Mechanics and Engineering Science, Ningbo University, Ningbo, Zhejiang 315211 (China); Zhang, Zheng [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Chai, Guozhong, E-mail: chaigz@zjut.edu.cn [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China)

2016-09-30

Highlights: • Apparent contact angle equation of all wetting states on dual-scale rough surfaces is derived. • Structured sidewalls can improve superhydrophobicity than smooth sidewalls. • Structured sidewalls can enlarge ACA than smooth sidewalls. • Structured sidewalls present an advantage over smooth sidewalls in terms of enhancing superhydrophobic stability. - Abstract: The superhydrophobicity of biological surfaces with dual-scale roughness has recently received considerable attention because of the unique wettability of such surfaces. Based on this, artificial micro/nano hierarchical structures with structured sidewalls and smooth sidewalls were designed and the influences of sidewall configurations (i.e., structured and smooth) on the wetting state of micro/nano hierarchical structures were systematically investigated based on thermodynamics and the principle of minimum free energy. Wetting transition and superhydrophobic stability were then analyzed for a droplet on dual-scale rough surfaces with structured and smooth sidewalls. Theoretical analysis results show that dual-scale rough surfaces with structured sidewalls have a larger “stable superhydrophobic region” than those with smooth sidewalls. The dual-scale rough surfaces with smooth sidewalls can enlarge the apparent contact angle (ACA) without improvement in the superhydrophobic stability. By contrast, dual-scale rough surfaces with structured sidewalls present an advantage over those with smooth sidewalls in terms of enlarging ACA and enhancing superhydrophobic stability. The proposed thermodynamic model is valid when compared with previous experimental data and numerical analysis results, which is helpful for designing and understanding the wetting states and superhydrophobic stability of surfaces with dual-scale roughness.

The Effects of Molecular Crowding on the Structure and Stability of G-Quadruplexes with an Abasic Site

Science.gov (United States)

Fujimoto, Takeshi; Nakano, Shu-ichi; Miyoshi, Daisuke; Sugimoto, Naoki

2011-01-01

Both cellular environmental factors and chemical modifications critically affect the properties of nucleic acids. However, the structure and stability of DNA containing abasic sites under cell-mimicking molecular crowding conditions remain unclear. Here, we investigated the molecular crowding effects on the structure and stability of the G-quadruplexes including a single abasic site. Structural analysis by circular dichroism showed that molecular crowding by PEG200 did not affect the topology of the G-quadruplex structure with or without an abasic site. Thermodynamic analysis further demonstrated that the degree of stabilization of the G-quadruplex by molecular crowding decreased with substitution of an abasic site for a single guanine. Notably, we found that the molecular crowding effects on the enthalpy change for G-quadruplex formation had a linear relationship with the abasic site effects depending on its position. These results are useful for predicting the structure and stability of G-quadruplexes with abasic sites in the cell-mimicking conditions. PMID:21949901

Apinhamento ântero-superior: revisão e análise crítica da literatura Maxillary crowding and long-term stability: a review of literature

Directory of Open Access Journals (Sweden)

Patrícia Paschoal Martins

2007-04-01

Full Text Available INTRODUÇÃO: o tratamento do apinhamento dentário da região anterior superior e inferior é comumente acometido pela recidiva, entretanto a maior parte dos estudos aborda apenas a estabilidade do tratamento do arco dentário inferior. OBJETIVO: este artigo propõe uma revisão e análise crítica da literatura, enfatizando os fatores etiológicos do apinhamento dentário, as diversas formas de tratamento e a recidiva no arco superior, considerando o plano de tratamento, os fatores periodontais e a expansão rápida da maxila. CONCLUSÕES: a severidade inicial da má oclusão, as alterações dimensionais dos arcos dentários e as alterações na fisiologia do ligamento periodontal são os principais fatores etiológicos de recidiva. O estudo da etiologia da recidiva permite ao ortodontista o correto planejamento dos casos clínicos e a previsibilidade da estabilidade pós-contenção.INTRODUCTION: The treatment of crowding of maxillary and mandibular anterior teeth commonly suffers relapse. Therefore, major studies focus only on stability of mandibular anterior segment. OBJECTIVE: This article propose a review and critical analysis of the literature, emphasizing the etiologic factors of incisors crowding, the various treatment plans and the relapse of the maxillary anterior segment, considering the treatment protocols, the periodontal factors and the rapid maxillary expansion. CONCLUSIONS: The main factors influencing the relapse are the severity of the initial malocclusion, the changes in arch dimensions and the changes in physiology of periodontal tissue. The study of the causes of relapse is important to help in achieving a correct treatment planning and to predict the postretention stability.

Precipitation Effect on Mechanical Properties and Phase Stability of High Manganese Steel

Science.gov (United States)

Bae, Cheoljun; Kim, Rosa; Lee, Un-Hae; Kim, Jongryoul

2017-09-01

High manganese (Mn) steels are attractive for automotive applications due to their excellent tensile strength and superior elongation. However, the relatively low yield strength of Mn steels compared to other advanced high-strength steels is a critical problem limiting their use in structural parts. In order to increase the yield strength, the precipitation hardening effect of Mn steels was investigated by the addition of carbide-forming elements. Changes in the austenite phase stability were also evaluated in terms of stacking fault energy (SFE). As a result, fine V(C,N) precipitates were found to increase the yield strength effectively but to lower the SFE by the consumption of matrix carbons. For achieving precipitation hardening without sacrificing austenite stability, the soluble carbon content was discussed.

Critical Role of Crystalline Anisotropy in the Stability of Cellular Array Structures in Directional Solidification

International Nuclear Information System (INIS)

Kopczynski, P.; Rappel, W.; Karma, A.

1996-01-01

We calculate numerically the full Floquet-Bloch stability spectrum of cellular array structures in a symmetric model of directional solidification. Our results demonstrate that crystalline anisotropy critically influences the stability of these structures. Without anisotropy, the stability balloon of cells in the plane of wave number and velocity closes near the onset of morphological instability. With a finite, but even small, amount of anisotropy this balloon remains open and a band of stable solutions persists for higher velocities into a deep cell regime. The width of the balloon depends critically on the anisotropy strength. copyright 1996 The American Physical Society

Linking craton stability and deep earth processes using thermochronology; a case study in the Superior Province of the Canadian Shield.

Science.gov (United States)

Sturrock, C. P.; Flowers, R. M.; Zhong, S.; Metcalf, J. R.; Kohn, B. P.

2017-12-01

Ancient, cratonic continental interiors are often presumed to be stable in the long term, neither accumulating nor shedding significant amounts of overlying sediment. However, recent low-temperature thermochronologic work suggests that such long term stability is an overly simplistic view and that forces besides plate tectonics, such as dynamic topography, may play a significant role. New apatite (U-Th)/He (AHe) and apatite fission track (AFT) data from Archean-Proterozoic basement rocks along a 1400km NW-SE transect in the Superior Province of the Canadian Shield record a spatially variable thermal history for the craton in Paleozoic through the end of Mesozoic time. Dates range from 600­­­­­­±60 Ma (AHe) and 529­±48 Ma (AFT) in the west to 184±14 Ma (AHe) and 174±9 Ma (AFT) in the east. Tectonic activity within the Superior Province ceased by 1.8 Ga, with the latest activity at the margins ending at 1 Ga. Widespread resetting of both AHe and AFT systems post 1 Ga is most likely due to regional scale burial at one or more times since the Cambrian. The temperature sensitivity of the AHe and AFT systems (30-90°C and 60-120°C, respectively) require at least a few km of burial across the craton that has since been stripped away. Preliminary inverse thermal history models, utilizing geologic constraints and radiation damage effects on He diffusion in apatite, indicate significant reheating in the Paleozoic-early Mesozoic (37 to >120°C) and a possible lesser reheating event since the mid Mesozoic (geothermal gradient and 0°C surface temperature, burial in some areas must have been at least 2-5km in the Paleozoic and was <4km in the Mesozoic. These burial and denudation patterns do not correlate with global sea level changes, making dynamic topography a good candidate for a driving mechanism. New AHe data from kimberlites emplaced in the early to mid-Jurassic will provide an important new constraint on the post-Jurassic thermal history of the Superior

Structure and Stability of Pt-Y Alloy Particles for Oxygen Reduction Studied by Electron Microscopy

DEFF Research Database (Denmark)

Deiana, Davide; Wagner, Jakob Birkedal; Hansen, Thomas Willum

2015-01-01

Platinum-yttrium alloy nanoparticles show both a high activity and stability for the oxygen reduction reaction. The catalysts were prepared by magnetron sputter aggregation and mass filtration providing a model catalyst system with a narrow size distribution. The structure and stability of nanost...... the catalyst after reaction and after aging tests shows the development of a core-shell type structure after being exposed to reaction conditions....

Polyhedral Lyapunov functions structurally ensure global asymptotic stability of dynamical networks iff the Jacobian is non-singular

NARCIS (Netherlands)

Blanchini, Franco; Giordano, G.

2017-01-01

For a vast class of dynamical networks, including chemical reaction networks (CRNs) with monotonic reaction rates, the existence of a polyhedral Lyapunov function (PLF) implies structural (i.e., parameter-free) local stability. Global structural stability is ensured under the additional

Nonlinear Stability and Structure of Compressible Reacting Mixing Layers

Science.gov (United States)

Day, M. J.; Mansour, N. N.; Reynolds, W. C.

2000-01-01

The parabolized stability equations (PSE) are used to investigate issues of nonlinear flow development and mixing in compressible reacting shear layers. Particular interest is placed on investigating the change in flow structure that occurs when compressibility and heat release are added to the flow. These conditions allow the 'outer' instability modes- one associated with each of the fast and slow streams-to dominate over the 'central', Kelvin-Helmholtz mode that unaccompanied in incompressible nonreacting mixing layers. Analysis of scalar probability density functions in flows with dominant outer modes demonstrates the ineffective, one-sided nature of mixing that accompany these flow structures. Colayer conditions, where two modes have equal growth rate and the mixing layer is formed by two sets of vortices, offer some opportunity for mixing enhancement. Their extent, however, is found to be limited in the mixing layer's parameter space. Extensive validation of the PSE technique also provides a unique perspective on central- mode vortex pairing, further supporting the view that pairing is primarily governed perspective sheds insight on how linear stability theory is able to provide such an accurate prediction of experimentally-observed, fully nonlinear flow phenomenon.

Two-phase flow stability structure in a natural circulation system

Energy Technology Data Exchange (ETDEWEB)

Zhou, Zhiwei [Nuclear Engineering Laboratory Zurich (Switzerland)

1995-09-01

The present study reports a numerical analysis of two-phase flow stability structures in a natural circulation system with two parallel, heated channels. The numerical model is derived, based on the Galerkin moving nodal method. This analysis is related to some design options applicable to integral heating reactors with a slightly-boiling operation mode, and is also of general interest to similar facilities. The options include: (1) Symmetric heating and throttling; (2) Asymmetric heating and symmetric throttling; (3) Asymmetric heating and throttling. The oscillation modes for these variants are discussed. Comparisons with the data from the INET two-phase flow stability experiment have qualitatively validated the present analysis.

Interactive effects of body-size structure and adaptive foraging on food-web stability.

Science.gov (United States)

Heckmann, Lotta; Drossel, Barbara; Brose, Ulrich; Guill, Christian

2012-03-01

Body-size structure of food webs and adaptive foraging of consumers are two of the dominant concepts of our understanding how natural ecosystems maintain their stability and diversity. The interplay of these two processes, however, is a critically important yet unresolved issue. To fill this gap in our knowledge of ecosystem stability, we investigate dynamic random and niche model food webs to evaluate the proportion of persistent species. We show that stronger body-size structures and faster adaptation stabilise these food webs. Body-size structures yield stabilising configurations of interaction strength distributions across food webs, and adaptive foraging emphasises links to resources closer to the base. Moreover, both mechanisms combined have a cumulative effect. Most importantly, unstructured random webs evolve via adaptive foraging into stable size-structured food webs. This offers a mechanistic explanation of how size structure adaptively emerges in complex food webs, thus building a novel bridge between these two important stabilising mechanisms. © 2012 Blackwell Publishing Ltd/CNRS.

Fabrication of Porous ZnO/Co₃O₄ Composites for Improving Cycling Stability of Supercapacitors.

Science.gov (United States)

Su, Dongqing; Zhang, Longmei; Tang, Zehua; Yu, Tingting; Liu, Huili; Zhang, Junhao; Liu, Yuanjun; Yuan, Aihua; Kong, Qinghong

2018-07-01

To tackle the issue of poor cycling stability for metal oxide nanoparticles as supercapacitor electrode, porous ZnO/Co3O4 composites were fabricated via solid-state thermolysis of [CoZn(BTC)(NO3)](2H2O)(0.5DMF) under air atmosphere. The results demonstrate that the products are mesoporous polyhedron structure with the diameter of about 10 μm, which are constructed by many interconnected nanocrystals with the sizes of around 20 nm. ZnO/Co3O4 composites as supercapacitor electrode exhibited excellent cyclic stability capacity, showing a maximum specific capacitance of 106.7 F g-1 and a capacity retention of 102.7 F · g-1 after 1000 cycles at 0.5 A · g-1. The superior electrochemical performance was contributed to ZnO/Co3O4 composites with porous structures and small size, which shortened the route of electronic transmission as well as ions insertion and desertion processes. Additionally, the synergetic effect of bimetallic oxides improved the electrochemical stability.

Phase stabilities at a glance: Stability diagrams of nickel dipnictides

International Nuclear Information System (INIS)

Bachhuber, F.; Rothballer, J.; Weihrich, R.; Söhnel, T.

2013-01-01

In the course of the recent advances in chemical structure prediction, a straightforward type of diagram to evaluate phase stabilities is presented based on an expedient example. Crystal structures and energetic stabilities of dipnictides NiPn 2 (Pn = N, P, As, Sb, Bi) are systematically investigated by first principles calculations within the framework of density functional theory using the generalized gradient approximation to treat exchange and correlation. These dipnictides show remarkable polymorphism that is not yet understood systematically and offers room for the discovery of new phases. Relationships between the concerned structures including the marcasite, the pyrite, the arsenopyrite/CoSb 2 , and the NiAs 2 types are highlighted by means of common structural fragments. Electronic stabilities of experimentally known and related AB 2 structure types are presented graphically in so-called stability diagrams. Additionally, competing binary phases are taken into consideration in the diagrams to evaluate the stabilities of the title compounds with respect to decomposition. The main purpose of the stability diagrams is the introduction of an image that enables the estimation of phase stabilities at a single glance. Beyond that, some of the energetically favored structure types can be identified as potential new phases

Vane coupling rings: a simple technique for stabilizing a four-vane radiofrequency quadrupole structure

International Nuclear Information System (INIS)

Howard, D.; Lancaster, H.

1982-11-01

The benefits of stabilized accelerating structures, with regard to the manufacture and operation, have been well documented. The four-vane radiofrequency quadrupoles (RFQ) presently being designed and constructed in many laboratories are not stabilized because of the weak electromagnetic coupling between the quadrant resonators. This paper presents a simple technique developed at the Lawrence Berkeley Laboratory using vane coupling rings (VCR's) which azimuthally stabilize the RFQ structure and greatly enhance its use as a practical accelerator. In particular, the VCR's: completely eliminate the dipole modes in the frequency range of interest; provide adequate quadrant balance with an initial precision mechanical alignment of the vanes; and enhance axial balance and simplify end tuners. Experimental verification tests on a scale model are discussed

Vane coupling rings: a simple technique for stabilizing a four-vane radiofrequency quadrupole structure

International Nuclear Information System (INIS)

Howard, D.; Lancaster, H.

1983-01-01

The benefits of stabilized accelerating structures, with regard to the manufacture and operation, have been well documented. The four-vane radiofrequency quadrupoles (RFQ) presently being designed and constructed in many laboratories are not stabilized because of the weak electromagnetic coupling between the quadrant resonators. This paper presents a simple technique developed at the Lawrence Berkeley Laboratory using vane coupling rings (VCR's) which azimuthally stabilize the RFQ structure and greatly enhance its use as a practical accelerator. In particular, the VCR's: Completely eliminate the dipole modes in the frequency range of interest; Provide adequate quadrant balance with an initial precision mechanical alignment of the vanes; Enhance axial balance and simplify end tuners. Experimental verification tests on a scale model will be discussed

Theoretical study of stability geometrical and electronic structure of (BeHsub(2))sub(n) oligomers

Energy Technology Data Exchange (ETDEWEB)

Sukhanov, L P; Boldyrev, A I; Charkin, O P [AN SSSR, Moscow. Inst. Novykh Khimicheskikh Problem

1983-01-01

The Hartree-Fock-Ruthane method with the Roos-Siegbahn two-exponent basis is used to calculate stability, geometrical and electronic structures of (BeHsub(2))sub(n) oligomers, where n=1, 2, 3, 4 and 6. It is shown that with the growth of oligomerization degree n stability of linear band structure is increased as compared with other configurations including high-coordination volumetric ones. Tendencies in formation with n growth of geometrical, energetic characteristics, electronic structure of (BeHsub(2))sub(n) oligomers of band type are analysed.

Persistent left superior vena cava with absent right superior vena cava: image findings

International Nuclear Information System (INIS)

Araujo Junior, Cyrillo Rodrigues de; Carvalho, Tarcisio Nunes; Fraguas Filho, Sergio Roberto; Costa, Marlos Augusto Bitencourt; Jacob, Beatriz Mahmud; Machado, Marcio Martins; Teixeira, Kim-Ir-Sen Santos; Ximenes, Carlos Alberto

2003-01-01

Persistent left superior vena cava absent right superior vena cava is a rare anomaly, with less than 150 cases reported in the literature. Congenitally persistent left superior vena cava is the most common variant of systemic venous return to the heart, resulting embryologically from failure of the left anterior cardinal vein to become obliterated. Its incidence varies from 0.3% in patients with otherwise normal heart to 4.3% in patients with congenital heart disease. In the majority of the patients, a right superior vena cava is present as well, but rarely the right anterior cardinal vein degenerates resulting in the absence of the normal right superior vena cava. The blood from the right side is carried by the persistent left superior vena cava to the right atrium through the coronary sinus. We report the case of a patient with a persistent left superior vena cava and absence of right superior vena cava identified by chance during a chest radiograph and computed tomography examination for investigation of chronic pulmonary obstructive disease. The patient had no congenital heart disease and the blood from the right side was drained by the persistent left superior vena cava into the right atrium through the coronary sinus. (author)

Structure of water and the thermodynamics of aqueous solutions

Energy Technology Data Exchange (ETDEWEB)

Nemethy, G.

1970-10-26

This report represents the summary of a series of lectures held at the Istituto Superiore di Sanita, Laboratori di Fisica, from 18 September to 26 October 1970. The topics discussed were: Intermolecular forces, the individual water molecule and the hydrogen bond, the structures of the solid phases of water, experimental information on the strucuture of liquid water, theoretical models of water structure, experimental properties and theoretical models of aqueous solutions of nonpolar solutes, polar solutes, and electrolytes, the conformational stability of biological macromolecules.

New insights into transcription fidelity: thermal stability of non-canonical structures in template DNA regulates transcriptional arrest, pause, and slippage.

Science.gov (United States)

Tateishi-Karimata, Hisae; Isono, Noburu; Sugimoto, Naoki

2014-01-01

The thermal stability and topology of non-canonical structures of G-quadruplexes and hairpins in template DNA were investigated, and the effect of non-canonical structures on transcription fidelity was evaluated quantitatively. We designed ten template DNAs: A linear sequence that does not have significant higher-order structure, three sequences that form hairpin structures, and six sequences that form G-quadruplex structures with different stabilities. Templates with non-canonical structures induced the production of an arrested, a slipped, and a full-length transcript, whereas the linear sequence produced only a full-length transcript. The efficiency of production for run-off transcripts (full-length and slipped transcripts) from templates that formed the non-canonical structures was lower than that from the linear. G-quadruplex structures were more effective inhibitors of full-length product formation than were hairpin structure even when the stability of the G-quadruplex in an aqueous solution was the same as that of the hairpin. We considered that intra-polymerase conditions may differentially affect the stability of non-canonical structures. The values of transcription efficiencies of run-off or arrest transcripts were correlated with stabilities of non-canonical structures in the intra-polymerase condition mimicked by 20 wt% polyethylene glycol (PEG). Transcriptional arrest was induced when the stability of the G-quadruplex structure (-ΔG°37) in the presence of 20 wt% PEG was more than 8.2 kcal mol(-1). Thus, values of stability in the presence of 20 wt% PEG are an important indicator of transcription perturbation. Our results further our understanding of the impact of template structure on the transcription process and may guide logical design of transcription-regulating drugs.

Bounds of thermal stability of infinite cylindrical structures with non-uniform internal heat generation

International Nuclear Information System (INIS)

Gadalla, M.A.

1992-01-01

This paper presents an overview analyses of the thermal instability or thermal viability of infinite cylindrical structures with non-linear and non-uniform internal heat generation. The structure may be subjected to different and combined boundary conditions. An analytical solution is obtained for the generalized problem in spite of the non-linearity and the non-homogeneity of the source term. Four case studies with different boundary conditions are presented. The analyses show that the critical parameter for thermal stability may be though of as an altitude of surface below which the cylindrical structure will be thermally stable and performance worthy. The results also show that the bounds of thermal stability of a cylindrical structure system (solid or hollow) is eminently determined by the boundary conditions to which the system is subjected and can significantly alter the life-span of the structure

Stability of the octameric structure affects plasminogen-binding capacity of streptococcal enolase.

Directory of Open Access Journals (Sweden)

Amanda J Cork

Full Text Available Group A Streptococcus (GAS is a human pathogen that has the potential to cause invasive disease by binding and activating human plasmin(ogen. Streptococcal surface enolase (SEN is an octameric α-enolase that is localized at the GAS cell surface. In addition to its glycolytic role inside the cell, SEN functions as a receptor for plasmin(ogen on the bacterial surface, but the understanding of the molecular basis of plasmin(ogen binding is limited. In this study, we determined the crystal and solution structures of GAS SEN and characterized the increased plasminogen binding by two SEN mutants. The plasminogen binding ability of SENK312A and SENK362A is ~2- and ~3.4-fold greater than for the wild-type protein. A combination of thermal stability assays, native mass spectrometry and X-ray crystallography approaches shows that increased plasminogen binding ability correlates with decreased stability of the octamer. We propose that decreased stability of the octameric structure facilitates the access of plasmin(ogen to its binding sites, leading to more efficient plasmin(ogen binding and activation.

Structure and stability insights into tumour suppressor p53 evolutionary related proteins.

Directory of Open Access Journals (Sweden)

Bruno Pagano

Full Text Available The p53 family of genes and their protein products, namely, p53, p63 and p73, have over one billion years of evolutionary history. Advances in computational biology and genomics are enabling studies of the complexities of the molecular evolution of p53 protein family to decipher the underpinnings of key biological conditions spanning from cancer through to various metabolic and developmental disorders and facilitate the design of personalised medicines. However, a complete understanding of the inherent nature of the thermodynamic and structural stability of the p53 protein family is still lacking. This is due, to a degree, to the lack of comprehensive structural information for a large number of homologous proteins and to an incomplete knowledge of the intrinsic factors responsible for their stability and how these might influence function. Here we investigate the thermal stability, secondary structure and folding properties of the DNA-binding domains (DBDs of a range of proteins from the p53 family using biophysical methods. While the N- and the C-terminal domains of the p53 family show sequence diversity and are normally targets for post-translational modifications and alternative splicing, the central DBD is highly conserved. Together with data obtained from Molecular Dynamics simulations in solution and with structure based homology modelling, our results provide further insights into the molecular properties of evolutionary related p53 proteins. We identify some marked structural differences within the p53 family, which could account for the divergence in biological functions as well as the subtleties manifested in the oligomerization properties of this family.

The stability of gabion walls for earth retaining structures

Directory of Open Access Journals (Sweden)

Mahyuddin Ramli

2013-12-01

Full Text Available The stability of earth retaining structures in flood prone areas has become a serious problem in many countries. The two most basic causes of failure arising from flooding are scouring and erosion of the foundation of the superstructure. Hence, a number of structures like bridges employ scour-arresting devices, e.g., gabions to acting on the piers and abutments during flooding. Research was therefore undertaken to improve gabion resistance against lateral movement by means of an interlocking configuration instead of the conventional stack-and-pair system. This involved simulating lateral thrusts against two dimensionally identical retaining wall systems configured according to the rectangular and hexagonal gabion type. The evolution of deformation observed suggested that the interlocking design exhibits better structural integrity than the conventional box gabion-based wall in resisting lateral movement and therefore warrants consideration for use as an appropriate scour-arresting device for earth retaining structures.

High order quaternary arrangement confers increased structural stability to Brucella Spp. lumazine synthase

Energy Technology Data Exchange (ETDEWEB)

Zylberman, V.; Craig, P.O.; Klinke, S.; Cauerhff, A.; Goldbaum, F.A. [Instituto Leloir, Buenos Aires (Argentina); Braden, B.C. [Bowie State Univ., Maryland (United States)

2004-07-01

The penultimate step in the pathway of riboflavin biosynthesis is catalyzed by the enzyme lumazine synthase (LS). One of the most distinctive characteristics of this enzyme is the structural quaternary divergence found in different species. The protein exists as pentameric and icosahedral forms, built from practically the same structural monomeric unit. The pentameric structure is formed by five 18 kDa monomers, each extensively contacting neighboring monomers. The icosahedral structure consists of 60 LS monomers arranged as twelve pentamers giving rise to a capsid exhibiting icosahedral 532 symmetry. In all lumazine synthases studied, the topologically equivalent active sites are located at the interfaces between adjacent subunits in the pentameric modules. The Brucella spp. lumazine synthase (BLS) sequence clearly diverges from pentameric and icosahedral enzymes. This unusual divergence prompted to further investigate on its quaternary arrangement. In the present work, we demonstrate by means of solution Light Scattering and X-ray structural analyses that BLS assembles as a very stable dimer of pentamers representing a third category of quaternary assembly for lumazine synthases. We also describe by spectroscopic studies the thermodynamic stability of this oligomeric protein, and postulate a mechanism for dissociation/unfolding of this macromolecular assembly. The higher molecular order of BLS increases its stability 20 deg C compared to pentameric lumazine synthases. The decameric arrangement described in this work highlights the importance of quaternary interactions in the stabilization of proteins. (author)

High order quaternary arrangement confers increased structural stability to Brucella Spp. lumazine synthase

International Nuclear Information System (INIS)

Zylberman, V.; Craig, P.O.; Klinke, S.; Cauerhff, A.; Goldbaum, F.A.; Braden, B.C.

2004-01-01

The penultimate step in the pathway of riboflavin biosynthesis is catalyzed by the enzyme lumazine synthase (LS). One of the most distinctive characteristics of this enzyme is the structural quaternary divergence found in different species. The protein exists as pentameric and icosahedral forms, built from practically the same structural monomeric unit. The pentameric structure is formed by five 18 kDa monomers, each extensively contacting neighboring monomers. The icosahedral structure consists of 60 LS monomers arranged as twelve pentamers giving rise to a capsid exhibiting icosahedral 532 symmetry. In all lumazine synthases studied, the topologically equivalent active sites are located at the interfaces between adjacent subunits in the pentameric modules. The Brucella spp. lumazine synthase (BLS) sequence clearly diverges from pentameric and icosahedral enzymes. This unusual divergence prompted to further investigate on its quaternary arrangement. In the present work, we demonstrate by means of solution Light Scattering and X-ray structural analyses that BLS assembles as a very stable dimer of pentamers representing a third category of quaternary assembly for lumazine synthases. We also describe by spectroscopic studies the thermodynamic stability of this oligomeric protein, and postulate a mechanism for dissociation/unfolding of this macromolecular assembly. The higher molecular order of BLS increases its stability 20 deg C compared to pentameric lumazine synthases. The decameric arrangement described in this work highlights the importance of quaternary interactions in the stabilization of proteins. (author)

Physical modeling of river spanning rock structures: Evaluating interstitial flow, local hydraulics, downstream scour development, and structure stability

Science.gov (United States)

Collins, K.L.; Thornton, C.I.; Mefford, B.; Holmquist-Johnson, C. L.

2009-01-01

Rock weir and ramp structures uniquely serve a necessary role in river management: to meet water deliveries in an ecologically sound manner. Uses include functioning as low head diversion dams, permitting fish passage, creating habitat diversity, and stabilizing stream banks and profiles. Existing information on design and performance of in-stream rock structures does not provide the guidance necessary to implement repeatable and sustainable construction and retrofit techniques. As widespread use of rock structures increases, the need for reliable design methods with a broad range of applicability at individual sites grows as well. Rigorous laboratory testing programs were implemented at the U.S. Bureau of Reclamation (Reclamation) and at Colorado State University (CSU) as part of a multifaceted research project focused on expanding the current knowledge base and developing design methods to improve the success rate of river spanning rock structures in meeting project goals. Physical modeling at Reclamation is being used to measure, predict, and reduce interstitial flow through rock ramps. CSU is using physical testing to quantify and predict scour development downstream of rock weirs and its impact on the stability of rock structures. ?? 2009 ASCE.

A new reconfiguration scheme for voltage stability enhancement of radial distribution systems

International Nuclear Information System (INIS)

Arun, M.; Aravindhababu, P.

2009-01-01

Network reconfiguration is an operation problem, which entails altering the topological structure of the distribution feeders by rearranging the status of switches in order to obtain an optimal configuration in order to minimise the system losses. This paper presents a new reconfiguration algorithm that enhances voltage stability and improves the voltage profile besides minimising losses without incurring any additional cost for installation of capacitors, tap changing transformers and related switching equipment in the distribution system. Test results on a 69 node distribution system reveal the superiority of this algorithm.

Structure and stability of triglyceride monolayers on water and mica surfaces

NARCIS (Netherlands)

Zdravkova, A.N.; van der Eerden, J.P.J.M.

2007-01-01

The structure and the stability of tripalmitin (PPP), tristearin (SSS), and triarachidin (AAA) monolayers at the air-water interface are investigated with the Langmuir method. The Langmuir-Blodgett (LB) layers obtained by deposition on mica were investigated with atomic force microscopy (AFM). Our

Relative Stabilities of Conserved and Non-Conserved Structures in the OB-Fold Superfamily

Directory of Open Access Journals (Sweden)

Andrei T. Alexandrescu

2009-05-01

Full Text Available The OB-fold is a diverse structure superfamily based on a β-barrel motif that is often supplemented with additional non-conserved secondary structures. Previous deletion mutagenesis and NMR hydrogen exchange studies of three OB-fold proteins showed that the structural stabilities of sites within the conserved β-barrels were larger than sites in non-conserved segments. In this work we examined a database of 80 representative domain structures currently classified as OB-folds, to establish the basis of this effect. Residue-specific values were obtained for the number of Cα-Cα distance contacts, sequence hydrophobicities, crystallographic B-factors, and theoretical B-factors calculated from a Gaussian Network Model. All four parameters point to a larger average flexibility for the non-conserved structures compared to the conserved β-barrels. The theoretical B-factors and contact densities show the highest sensitivity.Our results suggest a model of protein structure evolution in which novel structural features develop at the periphery of conserved motifs. Core residues are more resistant to structural changes during evolution since their substitution would disrupt a larger number of interactions. Similar factors are likely to account for the differences in stability to unfolding between conserved and non-conserved structures.

Oriented clay nanopaper from biobased components--mechanisms for superior fire protection properties.

Science.gov (United States)

Carosio, F; Kochumalayil, J; Cuttica, F; Camino, G; Berglund, L

2015-03-18

The toxicity of the most efficient fire retardant additives is a major problem for polymeric materials. Cellulose nanofiber (CNF)/clay nanocomposites, with unique brick-and-mortar structure and prepared by simple filtration, are characterized from the morphological point of view by scanning electron microscopy and X-ray diffraction. These nanocomposites have superior fire protection properties to other clay nanocomposites and fiber composites. The corresponding mechanisms are evaluated in terms of flammability (reaction to a flame) and cone calorimetry (exposure to heat flux). These two tests provide a wide spectrum characterization of fire protection properties in CNF/montmorrilonite (MTM) materials. The morphology of the collected residues after flammability testing is investigated. In addition, thermal and thermo-oxidative stability are evaluated by thermogravimetric analyses performed in inert (nitrogen) and oxidative (air) atmospheres. Physical and chemical mechanisms are identified and related to the unique nanostructure and its low thermal conductivity, high gas barrier properties and CNF/MTM interactions for char formation.

The impact of framework organic functional groups on the hydrophobicity and overall stability of mesoporous silica materials

International Nuclear Information System (INIS)

Smeulders, Geert; Meynen, Vera; Silvestre-Albero, Ana; Houthoofd, Kristof; Mertens, Myrjam; Silvestre-Albero, Joaquin; Martens, Johan A.; Cool, Pegie

2012-01-01

Graphical abstract: The stability (hydrothermal, mechanical and chemical) of PMOs is studied in a systematic way and ranks them between classic and other hybrid mesoporous silica materials. Highlights: ► The stability (hydrothermal, mechanical and chemical) of PMOs is studied. ► Compared stability of PMOs with classic and other hybrid mesoporous silica materials. ► Immersion calorimetry to study the effect of hydrophobicity. ► PMOs show superior stability. - Abstract: The hydrothermal, mechanical and chemical stability of various mesoporous materials have been studied in detail, using X-ray diffraction and nitrogen sorption. Pure siliceous nanoporous powders (MCM-41 and SBA-15) are evaluated against their hybrid counterparts; namely 2 types of periodic mesoporous organosilicas (benzene and ethane bridged PMOs) and an organosilane grafted MCM-41 material. In primary tests, the stability of the hybrid materials is found to be superior compared to that of the pure siliceous ones. The stability of the materials was correlated to their hydrophobicity via immersion calorimetry, applied for the first time in this context. Based on these results, a clear correlation between the hydrophobicity of a material and its stability has been revealed. In addition, with 29 Si-MAS-NMR and vacuum experiments, the mechanism of the structural deterioration in the three different stability treatments could be unambiguously identified as the hydrolyzation of the siloxane bonds. The homogeneity of the hydrophobic groups throughout the entire network was found to be of great importance, irrespective of the hydrophobic nature at the surface as determined by calorimetric measurements. The results reveal that the most stable material can withstand (a) a pressure of 740 MPa during 5 min, (b) a 2 h stirring in a 2 M NaOH solution and (c) a 3 day steaming treatment at 393 K.

The impact of framework organic functional groups on the hydrophobicity and overall stability of mesoporous silica materials

Energy Technology Data Exchange (ETDEWEB)

Smeulders, Geert, E-mail: geert.smeulders@ua.ac.be [University of Antwerpen (Ukraine), Laboratory of Adsorption and Catalysis, Universiteitsplein 1, 2610 Wilrijk (Belgium); Meynen, Vera [University of Antwerpen (Ukraine), Laboratory of Adsorption and Catalysis, Universiteitsplein 1, 2610 Wilrijk (Belgium); Silvestre-Albero, Ana [Universidad de Alicante, Laboratorio de Materiales Avanzados, Apartado 99, 03080 Alicante (Spain); Houthoofd, Kristof [KULeuven, Centre for Surface Chemistry and Catalysis, Kasteelpark Arenberg 23, 3001 Heverlee (Belgium); Mertens, Myrjam [Flemish Institute for Technological Research (VITO N.V.), Boeretang 200, 2400 Mol (Belgium); Silvestre-Albero, Joaquin [Universidad de Alicante, Laboratorio de Materiales Avanzados, Apartado 99, 03080 Alicante (Spain); Martens, Johan A. [KULeuven, Centre for Surface Chemistry and Catalysis, Kasteelpark Arenberg 23, 3001 Heverlee (Belgium); Cool, Pegie [University of Antwerpen (Ukraine), Laboratory of Adsorption and Catalysis, Universiteitsplein 1, 2610 Wilrijk (Belgium)

2012-02-15

Graphical abstract: The stability (hydrothermal, mechanical and chemical) of PMOs is studied in a systematic way and ranks them between classic and other hybrid mesoporous silica materials. Highlights: Black-Right-Pointing-Pointer The stability (hydrothermal, mechanical and chemical) of PMOs is studied. Black-Right-Pointing-Pointer Compared stability of PMOs with classic and other hybrid mesoporous silica materials. Black-Right-Pointing-Pointer Immersion calorimetry to study the effect of hydrophobicity. Black-Right-Pointing-Pointer PMOs show superior stability. - Abstract: The hydrothermal, mechanical and chemical stability of various mesoporous materials have been studied in detail, using X-ray diffraction and nitrogen sorption. Pure siliceous nanoporous powders (MCM-41 and SBA-15) are evaluated against their hybrid counterparts; namely 2 types of periodic mesoporous organosilicas (benzene and ethane bridged PMOs) and an organosilane grafted MCM-41 material. In primary tests, the stability of the hybrid materials is found to be superior compared to that of the pure siliceous ones. The stability of the materials was correlated to their hydrophobicity via immersion calorimetry, applied for the first time in this context. Based on these results, a clear correlation between the hydrophobicity of a material and its stability has been revealed. In addition, with {sup 29}Si-MAS-NMR and vacuum experiments, the mechanism of the structural deterioration in the three different stability treatments could be unambiguously identified as the hydrolyzation of the siloxane bonds. The homogeneity of the hydrophobic groups throughout the entire network was found to be of great importance, irrespective of the hydrophobic nature at the surface as determined by calorimetric measurements. The results reveal that the most stable material can withstand (a) a pressure of 740 MPa during 5 min, (b) a 2 h stirring in a 2 M NaOH solution and (c) a 3 day steaming treatment at 393 K.

Cu-Ag core–shell nanoparticles with enhanced oxidation stability for printed electronics

International Nuclear Information System (INIS)

Lee, Changsoo; Kim, Na Rae; Koo, Jahyun; Lee, Yung Jong; Lee, Hyuck Mo

2015-01-01

In this work, we synthesized uniform Cu–Ag core–shell nanoparticles using a facile two-step process that consists of thermal decomposition and galvanic displacement methods. The core–shell structure of these nanoparticles was confirmed through characterization using transmission electron microscopy, energy-dispersive spectroscopy, and x-ray diffraction. Furthermore, we investigated the oxidation stability of the Cu–Ag core–shell nanoparticles in detail. Both qualitative and quantitative x-ray photoelectron spectroscopy analyses confirm that the Cu–Ag core–shell nanoparticles have considerably higher oxidation stability than Cu nanoparticles. Finally, we formulated a conductive ink using the synthesized nanoparticles and coated it onto glass substrates. Following the sintering process, we compared the resistivity of the Cu–Ag core–shell nanoparticles with that of the Cu nanoparticles. The results of this study clearly show that the Cu–Ag core–shell nanoparticles can potentially be used as an alternative to Ag nanoparticles because of their superior oxidation stability and electrical properties. (paper)

Veia cava superior esquerda anômala com ausência de veia cava superior direita: achados de imagem Persistent left superior vena cava with absent right superior vena cava: image findings

Directory of Open Access Journals (Sweden)

Cyrillo Rodrigues de Araújo Júnior

2003-10-01

Full Text Available A persistência da veia cava superior esquerda com ausência da veia cava superior direita é uma anomalia rara, com menos de 150 casos descritos na literatura. A não-obliteração e regressão da veia cardinal anterior esquerda durante o desenvolvimento embriológico promove uma variação sistêmica de retorno venoso ao coração, com persistência da veia cava superior esquerda. Sua incidência varia de 0,3% em pacientes sem alterações cardíacas congênitas concomitantes a 4,3% naqueles com cardiopatias. Na maioria das vezes coexiste a veia cava superior direita, porém se houver regressão e degeneração da veia cardinal anterior direita, implicará a sua ausência e a drenagem venosa para o coração será feita pela veia cava superior esquerda ao átrio direito, através do seio coronariano. Mostramos um caso de um paciente submetido a radiografia de tórax e tomografia computadorizada para avaliação de doença pulmonar obstrutiva crônica, tendo como achado a persistência da veia cava superior esquerda com ausência da direita, sem qualquer cardiopatia associada e com a drenagem cardíaca sendo feita, através do seio coronariano, para o átrio direito.Persistent left superior vena cava with absent right superior vena cava is a rare anomaly, with less than 150 cases reported in the literature. Congenitally persistent left superior vena cava is the most common variant of systemic venous return to the heart, resulting embryologically from failure of the left anterior cardinal vein to become obliterated. Its incidence varies from 0.3% in patients with otherwise normal heart to 4.3% in patients with congenital heart disease. In the majority of the patients, a right superior vena cava is present as well, but rarely the right anterior cardinal vein degenerates resulting in the absence of the normal right superior vena cava. The blood from the right side is carried by the persistent left superior vena cava to the right atrium through the

A Subset of Autism-Associated Genes Regulate the Structural Stability of Neurons

Science.gov (United States)

Lin, Yu-Chih; Frei, Jeannine A.; Kilander, Michaela B. C.; Shen, Wenjuan; Blatt, Gene J.

2016-01-01

Autism spectrum disorder (ASD) comprises a range of neurological conditions that affect individuals’ ability to communicate and interact with others. People with ASD often exhibit marked qualitative difficulties in social interaction, communication, and behavior. Alterations in neurite arborization and dendritic spine morphology, including size, shape, and number, are hallmarks of almost all neurological conditions, including ASD. As experimental evidence emerges in recent years, it becomes clear that although there is broad heterogeneity of identified autism risk genes, many of them converge into similar cellular pathways, including those regulating neurite outgrowth, synapse formation and spine stability, and synaptic plasticity. These mechanisms together regulate the structural stability of neurons and are vulnerable targets in ASD. In this review, we discuss the current understanding of those autism risk genes that affect the structural connectivity of neurons. We sub-categorize them into (1) cytoskeletal regulators, e.g., motors and small RhoGTPase regulators; (2) adhesion molecules, e.g., cadherins, NCAM, and neurexin superfamily; (3) cell surface receptors, e.g., glutamatergic receptors and receptor tyrosine kinases; (4) signaling molecules, e.g., protein kinases and phosphatases; and (5) synaptic proteins, e.g., vesicle and scaffolding proteins. Although the roles of some of these genes in maintaining neuronal structural stability are well studied, how mutations contribute to the autism phenotype is still largely unknown. Investigating whether and how the neuronal structure and function are affected when these genes are mutated will provide insights toward developing effective interventions aimed at improving the lives of people with autism and their families. PMID:27909399

Colloidal stability of suspended and agglomerate structures of settled carbon nanotubes in different aqueous matrices.

Science.gov (United States)

Schwyzer, Irène; Kaegi, Ralf; Sigg, Laura; Nowack, Bernd

2013-08-01

Carbon nanotubes (CNTs) are often processed in suspended form and therefore a release of CNT-suspensions into the aquatic environment is plausible. In this study, the behaviour of two physico-chemically very different CNT types in the presence of varying, environmentally relevant calcium-containing media was investigated, including the long-term colloidal stability and the sedimentary structures of settled CNTs. Calcium induced CNT flocculation, however, the stability of the CNTs in the medium did not monotonously decrease with increasing calcium concentration. At intermediate calcium concentrations (0.5-1.5 mM Ca) pre-dispersed CNTs were stabilized in humic acid medium to similar, temporarily even to higher degree than in the absence of calcium. Between pH 5 and 8 only at the highest pH an influence on CNT stability was observed by either promoting flocculation or stabilisation depending on the CNT type. Humic acid stabilized CNTs much better than fulvic acid. Generally, the colloidal stability of the long, thick CNTs with higher surface oxygen content was less affected by the media composition. An investigation of the settled CNT material using analytical electron microscopy revealed the presence of spheroidal, bundle-like and net like CNT-agglomerate structures. Calcium possibly acted as bridging agent linking CNTs in a network like manner, temporarily increasing the CNT concentrations stabilized in the supernatants due to the low density of these structures. With increasing settling time the CNTs formed a fluffy sediment layer at the bottom of the reaction vessels. Bundle-like CNT agglomerates were also observed within that layer of settled CNTs, possibly caused by calcium neutralizing the surface charges. Furthermore, the CNT suspensions contained spheroidal CNT agglomerates, most likely residues from the original dry powder that were not disaggregated. The analysis of settled CNT material is a novelty and illustrates CNT agglomerate structures possibly

Structural stability and elastic properties of L12 Co3(Ga,W) precipitate from first-principle calculations

International Nuclear Information System (INIS)

Yao Qiang; Zhu Yuhong; Wang Yan

2011-01-01

Ultrasoft pseudopotential within a generalized gradient approximation was employed to study the structural stability, electronic structure, and elastic properties of ternary Co 3 (Ga,W) precipitate. The Young's and shear moduli of the polycrystals containing the Co 3 (Ga,W) precipitate were calculated using the Voigt-Reuss-Hill averaging scheme. Results show that the stable ternary Co 3 (Ga,W) compound has the L1 2 structure, and is ductile in nature. The structural stability of the Co 3 (Ga,W) compound is discussed together with the calculated electronic structure.

Pictorial Superiority Effect

Science.gov (United States)

Nelson, Douglas L.; And Others

1976-01-01

Pictures generally show superior recognition relative to their verbal labels. This experiment was designed to link this pictorial superiority effect to sensory or meaning codes associated with the two types of symbols. (Editor)

Effect of preparation methods on dispersion stability and electrochemical performance of graphene sheets

International Nuclear Information System (INIS)

Chen, Li; Li, Na; Zhang, Mingxia; Li, Pinnan; Lin, Zhengping

2017-01-01

Chemical exfoliation is one of the most important strategies for preparing graphene. The aggregation of graphene sheets severely prevents graphene from exhibiting excellent properties. However, there are no attempts to investigate the effect of preparation methods on the dispersity of graphene sheets. In this study, three chemical exfoliation methods, including Hummers method, modified Hummers method, and improved method, were used to prepare graphene sheets. The influence of preparation methods on the structure, dispersion stability in organic solvents, and electrochemical properties of graphene sheets were investigated. Fourier transform infrared microscopy, Raman spectra, transmission electron microscopy, and UV–vis spectrophotometry were employed to analyze the structure of the as-prepared graphene sheets. The results showed that graphene prepared by improved method exhibits excellent dispersity and stability in organic solvents without any additional stabilizer or modifier, which is attributed to the completely exfoliation and regular structure. Moreover, cyclic voltammetric and electrochemical impedance spectroscopy measurements showed that graphene prepared by improved method exhibits superior electrochemical properties than that prepared by the other two methods. - Graphical abstract: Graphene oxides with different oxidation degree were obtained via three methods, and then graphene with different crystal structures were created by chemical reduction of exfoliated graphene oxides. - Highlights: • Graphene oxides with different oxidation degree were obtained via three oxidation methods. • The influence of oxidation methods on microstructure of graphene was investigated. • The effect of oxidation methods on dispersion stability of graphene was investigated. • The effect of oxidation methods on electrochemical properties of graphene was discussed.

Effect of preparation methods on dispersion stability and electrochemical performance of graphene sheets

Energy Technology Data Exchange (ETDEWEB)

Chen, Li, E-mail: chenli1981@lut.cn; Li, Na; Zhang, Mingxia; Li, Pinnan; Lin, Zhengping

2017-05-15

Chemical exfoliation is one of the most important strategies for preparing graphene. The aggregation of graphene sheets severely prevents graphene from exhibiting excellent properties. However, there are no attempts to investigate the effect of preparation methods on the dispersity of graphene sheets. In this study, three chemical exfoliation methods, including Hummers method, modified Hummers method, and improved method, were used to prepare graphene sheets. The influence of preparation methods on the structure, dispersion stability in organic solvents, and electrochemical properties of graphene sheets were investigated. Fourier transform infrared microscopy, Raman spectra, transmission electron microscopy, and UV–vis spectrophotometry were employed to analyze the structure of the as-prepared graphene sheets. The results showed that graphene prepared by improved method exhibits excellent dispersity and stability in organic solvents without any additional stabilizer or modifier, which is attributed to the completely exfoliation and regular structure. Moreover, cyclic voltammetric and electrochemical impedance spectroscopy measurements showed that graphene prepared by improved method exhibits superior electrochemical properties than that prepared by the other two methods. - Graphical abstract: Graphene oxides with different oxidation degree were obtained via three methods, and then graphene with different crystal structures were created by chemical reduction of exfoliated graphene oxides. - Highlights: • Graphene oxides with different oxidation degree were obtained via three oxidation methods. • The influence of oxidation methods on microstructure of graphene was investigated. • The effect of oxidation methods on dispersion stability of graphene was investigated. • The effect of oxidation methods on electrochemical properties of graphene was discussed.

A new experimental approach to study the stability of logistic map

International Nuclear Information System (INIS)

Rani, Mamta; Agarwal, Rashi

2009-01-01

Remarkably benign looking logistic transformations x n+1 = rx n (1 - x n ) for choosing x 0 between 0 and 1 and 0 < r ≤ 4 have found a celebrated place in chaos, fractals and discrete dynamics. The purpose of this paper is to enhance the capabilities of logistic map via superior iterations. Stability of logistic map has been studied by running computer programs. Logistic map is stable for 0 < r ≤ 3.2 in Picard orbit. In superior orbit, we see that the range of stability of logistic map increases drastically. Also, chaotic behavior of logistic map disappears in certain cases.

The role of a topologically conserved isoleucine in glutathione transferase structure, stability and function

International Nuclear Information System (INIS)

Achilonu, Ikechukwu; Gildenhuys, Samantha; Fisher, Loren; Burke, Jonathan; Fanucchi, Sylvia; Sewell, B. Trevor; Fernandes, Manuel; Dirr, Heini W.

2010-01-01

The role of a topologically conserved isoleucine in the structure of glutathione transferase was investigated by replacing the Ile71 residue in human GSTA1-1 by alanine or valine. The common fold shared by members of the glutathione-transferase (GST) family has a topologically conserved isoleucine residue at the N-terminus of helix 3 which is involved in the packing of helix 3 against two β-strands in domain 1. The role of the isoleucine residue in the structure, function and stability of GST was investigated by replacing the Ile71 residue in human GSTA1-1 by alanine or valine. The X-ray structures of the I71A and I71V mutants resolved at 1.75 and 2.51 Å, respectively, revealed that the mutations do not alter the overall structure of the protein compared with the wild type. Urea-induced equilibrium unfolding studies using circular dichroism and tryptophan fluorescence suggest that the mutation of Ile71 to alanine or valine reduces the stability of the protein. A functional assay with 1-chloro-2,4-dinitrobenzene shows that the mutation does not significantly alter the function of the protein relative to the wild type. Overall, the results suggest that conservation of the topologically conserved Ile71 maintains the structural stability of the protein but does not play a significant role in catalysis and substrate binding

Stabilization of Si_60 Cage Structure: The Agony and the Ecstasy

Science.gov (United States)

Kawazoe, Y.; Sun, Q.; Wang, Q.; Rao, B. K.; Jena, P.

2003-03-01

The unique role of silicon in the micro-electronics industry has motivated many researchers to find ways to stabilize Si_60 with fullerene structure. In spite of numerous experimental attempts, synthesis of a theoretically predicted C_60-supported Si_60 cluster (C_60@Si_60) has not been possible. Using a state-of-the-art theoretical method, we provide the first answer for this long-standing contradiction between the experimental observation and the theoretical prediction. The flaws in earlier theoretical works are pointed out, and Si_60 is shown to be unstable in the fullerene structure either on its own or when supported on a C_60 fullerene (C_60@Si_60). On the other hand, we show that Si_60 cage can be stabilized by using magic clusters such as Al_12X (X = Si, Ge, Sn, Pb) as endohedral units, which have been identified in recent experiment as stable clusters and as suitable building blocks for cluster-assembled materials.

Preparation, structure and thermal stability of Cu/LDPE nanocomposites

International Nuclear Information System (INIS)

Xia Xianping; Cai Shuizhou; Xie Changsheng

2006-01-01

Copper/low-density-polyethylene (Cu/LDPE) nanocomposites have been prepared using a melt-blending technique in a single-screw extruder. Their structure and thermal characteristics are characterized by using X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDS), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The results of XRD, SEM and SEM-EDS Cu-mapping show that the nanocomposites are a hybrid of the polymer and the copper nanoparticles, and the copper nanoparticles aggregates were distributed uniformly in general. The results also show that the nanocomposites and the base resin, the pure LDPE, have a different crystalline structure and the same oriented characteristics owing to the presence of copper nanoparticles and the same cooling condition. The results of DSC show that the incorporation of copper nanoparticles can decrease the melting temperatures but increase the crystallization temperatures, and can lower the crystallinity degree of the matrix of the composites. The results of TGA show that the presence of copper nanoparticles can improve the thermal stability of the nanocomposites, a maximum increment of 18 deg. C is obtained comparing with the pure LDPE in this experiment. The results of TGA also show that the influence of the incorporation of the copper nanoparticles on the thermal stability of the Cu/LDPE nanocomposites is different from that of the non-metal nanoparticles on the polymer/non-metal nanocomposites and the copper microparticles on the Cu/LDPE microcomposites. The increase of the thermal stability of the Cu/LDPE nanocomposites will decrease when the content of the copper nanoparticles is more than 2 wt.%. The difference might be caused by the fact that the activity of the metal nanoparticles is much more higher than that of the non-metal nanoparticles, and the different size effect the different copper particles has

Superior flexibility of a wrinkled carbon shell under electrochemical cycling

KAUST Repository

Li, Qianqian; Wang, Peng; Feng, Qiong; Mao, Minmin; Liu, Jiabin; Wang, Hongtao; Mao, Scott; Zhang, Xixiang

2014-01-01

Nanocarbon composites have been extensively employed in engineering alloy-type anodes in order to improve the poor cyclability caused by the enormous volume changes during lithium (Li+) insertion/extraction. The chemical vapor deposited wrinkled carbon shell (WCS) shows high electrical conductivity, excellent thermal stability and remarkable mechanical robustness, which help in retaining the structural integrity around the tin (Sn) anode core despite ∼250% variation in volume during repetitive lithiation and delithiation. In situ transmission electron microscopy reveals no embrittlement in the lithiated WCS, which fully recovers its original shape after severe mechanical deformation with no obvious structural change. Further analysis indicates that the capacity to accommodate large strains is closely related to the construction of the carbon shell, that is, the stacking of wrinkled few-layer graphenes. Both the pre-existing wrinkles and the few-layer thickness render the carbon shell superior flexibility and good elasticity under bending or expansion of the interior volume. Moreover, the WCS possesses fast lithium ion diffusion channels, which have lower activation barriers (∼0.1 eV) than that on a smooth graphene (∼0.3 eV). The results provide an insight into the improvement in cycle performance that can be achieved through carbon coating of anodes of lithium ion batteries. © 2014 The Royal Society of Chemistry.

Stability enhancement and electronic tunability of two-dimensional SbIV compounds via surface functionalization

Science.gov (United States)

Zhou, Wenhan; Guo, Shiying; Liu, Xuhai; Cai, Bo; Song, Xiufeng; Zhu, Zhen; Zhang, Shengli

2018-01-01

We propose a family of hydrogenated- and halogenated-SbIV (SbIVX-2) materials that simultaneously have two-dimensional (2D) structures, high stability and appealing electronic properties. Based on first-principles total-energy and vibrational-spectra calculations, SbIVX-2 monolayers are found both thermally and dynamically stable. Varying IV and X elements can rationally tune the electronic properties of SbIVX-2 monolayers, effectively modulating the band gap from 0 to 3.42 eV. Regarding such superior stability and broad band-gap range, SbIVX-2 monolayers are expected to be synthesized in experiments and taken as promising candidates for low-dimensional electronic and optoelectronic devices, such as blue-to-ultraviolet light-emitting diodes (LED) and photodetectors.

Axial ratio dependence of the stability of self-interstitials in HCP structures

International Nuclear Information System (INIS)

Peng, Qing; Ji, Wei; Huang, Hanchen; De, Suvranu

2013-01-01

We investigate the effect of the axial ratio (c/a) on the stability of self-interstitial atoms (SIAs) in hexagonal close-packed crystal structures, using hcp-zirconium as a prototype, through density functional theory based ab initio calculations. The axial ratio is found to dominate the relative stability of SIAs over volumetric strains. We observe that below the ideal value of 1.633, the basal octahedral configuration is the most stable. Above the ideal value, the off-plane SIAs are more stable than in-plane ones

Superior Intraparietal Sulcus Controls the Variability of Visual Working Memory Precision.

Science.gov (United States)

Galeano Weber, Elena M; Peters, Benjamin; Hahn, Tim; Bledowski, Christoph; Fiebach, Christian J

2016-05-18

Limitations of working memory (WM) capacity depend strongly on the cognitive resources that are available for maintaining WM contents in an activated state. Increasing the number of items to be maintained in WM was shown to reduce the precision of WM and to increase the variability of WM precision over time. Although WM precision was recently associated with neural codes particularly in early sensory cortex, we have so far no understanding of the neural bases underlying the variability of WM precision, and how WM precision is preserved under high load. To fill this gap, we combined human fMRI with computational modeling of behavioral performance in a delayed color-estimation WM task. Behavioral results replicate a reduction of WM precision and an increase of precision variability under high loads (5 > 3 > 1 colors). Load-dependent BOLD signals in primary visual cortex (V1) and superior intraparietal sulcus (IPS), measured during the WM task at 2-4 s after sample onset, were modulated by individual differences in load-related changes in the variability of WM precision. Although stronger load-related BOLD increase in superior IPS was related to lower increases in precision variability, thus stabilizing WM performance, the reverse was observed for V1. Finally, the detrimental effect of load on behavioral precision and precision variability was accompanied by a load-related decline in the accuracy of decoding the memory stimuli (colors) from left superior IPS. We suggest that the superior IPS may contribute to stabilizing visual WM performance by reducing the variability of memory precision in the face of higher load. This study investigates the neural bases of capacity limitations in visual working memory by combining fMRI with cognitive modeling of behavioral performance, in human participants. It provides evidence that the superior intraparietal sulcus (IPS) is a critical brain region that influences the variability of visual working memory precision between and

Yttrium-86-labelled human serum albumin microspheres: relation of surface structure with in vivo stability

International Nuclear Information System (INIS)

Schiller, Eik; Bergmann, Ralf; Pietzsch, Jens; Noll, Bernhard; Sterger, Antje; Johannsen, Bernd; Wunderlich, Gerd; Pietzsch, Hans-Juergen

2008-01-01

Introduction: Radiolabelled particles are an attractive tool in the therapy of malignancies of the liver. We consider particles manufactured from denatured human serum albumin (HSA) as useful carriers of therapeutic radionuclides. Covalent attachment of suitable chelators onto the surface of the spheres promises an easy access to radiolabelled HSA microspheres. Methods: We synthesized 1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid (DOTA) bearing smooth, medium-rough and rough surfaced HSA microspheres (mean diameter: 25 μm). In vitro stability of 86 Y-labelled particles was determined after incubation in human plasma and in a DTPA challenge experiment. In vivo stability of 86 Y DOTA-HSA microspheres was determined after single intravenous application in rats. Subsequently, the particles were completely trapped in the lung microvasculature. Thus, the lung serves in our experiments as target organ. Results: DOTA-HSA microspheres were 86 Y labelled in reproducible high yields (>95%). No differences between smooth and rough surfaced spheres were found for both DOTA coupling and 86 Y labelling. Labelled microspheres showed high in vitro stability in human plasma and in DTPA solution with only 8±1% and 2±0% loss of radioactivity from the surface, respectively, 48 h postinjection (pi). The three batches (smooth, medium-rough and rough surfaced microspheres) differed considerably in their radioactivity recovery in the lungs of rats 48 h pi. Smooth particles showed the highest in vivo stability of the radiolabel on the surface of the spheres, presumably because of slower proteolytic degradation. Conclusion: We found that for the preparation of HSA-derived microspheres for radiotherapeutic application, smooth surfaced spheres are superior to rough spheres due to their higher in vivo stability of the radionuclide fixation

Structure and phase stability of a Pu-0.32 wt% Ga alloy

Energy Technology Data Exchange (ETDEWEB)

Wheeler, D.W., E-mail: David.Wheeler@awe.co.uk; Ennaceur, S.M.; Matthews, M.B.; Roussel, P.; Bayer, P.D.

2016-08-01

In plutonium-gallium (Pu-Ga) alloys that have a Ga content of 0.3–0.4 wt%, their readiness to transform to α′ renders them of particular interest in efforts to understand the tenuous nature of δ phase stability. The present study is a comprehensive examination of the structure and phase stability of a cast Pu-0.32 wt% Ga alloy, the Ga content being close to the minimum amount needed to retain the δ phase to ambient temperature. The alloy was characterised in both the as-cast condition as well as following a homogenising heat treatment. The 250-h heat treatment at 450 °C was shown to achieve an apparently stable δ-Pu phase. However, the stability of the δ-Pu phase was shown to be marginal: partial transformation to α′-Pu was observed when the alloy was subjected to hydrostatic compression. Similar transformation was also apparent during metallographic preparation as well as during hardness indentation. The results provide new understanding of the nature of δ phase stability. - Highlights: • New insights into the delta phase stability of a Pu-0.32 wt% Ga alloy. • Density and DSC of as-cast alloy both show α-Pu contents of approximately 30%. • The heat-treated alloy has a largely δ-Pu structure at ambient temperature. • Heat-treated alloy susceptible to δ → α transformation during hardness indentation.

Evaluation of the Structure Stability of a Plate Girder Bridge Using MIDAS Structure Analysis

Energy Technology Data Exchange (ETDEWEB)

Kim, Eui Soo; Kim, Jong Hyuk [National Forensic Service, Wonju (Korea, Republic of)

2014-04-15

Recently, as a means of resolving the issue of legal liability in the event of an accident or a disaster, a wide variety of simulation techniques, such as structural and structure-fluid interaction analysis, have been used in the field of forensic engineering. The plate girder bridge discussed in this paper was being constructed between a pier and an abutment to expand an existing bridge, but an accident whereby the bridge overturned occurred at the end of the concrete laying process for a protective wall. This accident was caused by additional loads not being considered at the time of the design as well as the actual construction being different from the design. The additional loads ultimately generated a negative support force. In this study, we determined the cause of the accident by comparing the structural stability of the original design with that of the additional, non-conforming construction using MIDAS structural analysis.

Evaluation of the Structure Stability of a Plate Girder Bridge Using MIDAS Structure Analysis

International Nuclear Information System (INIS)

Kim, Eui Soo; Kim, Jong Hyuk

2014-01-01

Recently, as a means of resolving the issue of legal liability in the event of an accident or a disaster, a wide variety of simulation techniques, such as structural and structure-fluid interaction analysis, have been used in the field of forensic engineering. The plate girder bridge discussed in this paper was being constructed between a pier and an abutment to expand an existing bridge, but an accident whereby the bridge overturned occurred at the end of the concrete laying process for a protective wall. This accident was caused by additional loads not being considered at the time of the design as well as the actual construction being different from the design. The additional loads ultimately generated a negative support force. In this study, we determined the cause of the accident by comparing the structural stability of the original design with that of the additional, non-conforming construction using MIDAS structural analysis

Lattice stability of metastable AlN and wurtzite-to-rock-salt structural transformation by CALPHAD modeling

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yanhui, E-mail: yanhui.z@hotmail.com [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials-Applied Materials Physics (IAM-AWP), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); High-performance Ceramics Division, Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 110016, Shenyang (China); Franke, Peter; Li, Dajian; Seifert, Hans Jürgen [Karlsruhe Institute of Technology (KIT), Institute for Applied Materials-Applied Materials Physics (IAM-AWP), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

2016-12-01

Reliable lattice stability of cubic AlN with rock-salt structure (rs-AlN) is the prerequisite of accurate thermodynamic modeling of cubic (M, Al)N solid solutions (M = Ti, Zr, Cr etc.). In order to derive the Gibbs energy of metastable rs-AlN, and then its lattice stability, we did the pressure-temperature (P-T) assessment of AlN phases by equations-of-state modeling. Meanwhile, the molar volumes and the heat capacities of wurtzite and rock-salt AlN, as well as the wurtzite-to-rock-salt structural transition at high P&T were successfully incorporated in CALPHAD-type database by integrating thermodynamic data from experiments and ab-initio calculations. These results promise subsequent investigations on phase stabilities and transitions of solid solutions with AlN component and the development of novel multicomponent coatings. - Highlights: • Phase stability investigation for novel multi-component metastable coatings. • Structural transition at high temperature and high pressure. • Integrating thermodynamic data from ab-initio calculations and experiments. • Thermal expansion, isothermal compressibility and heat capacity of w-AlN and rs-AlN.

The relationship between dental implant stability and trabecular bone structure using cone-beam computed tomography

Science.gov (United States)

2016-01-01

Purpose The objective of this study was to investigate the relationships between primary implant stability as measured by impact response frequency and the structural parameters of trabecular bone using cone-beam computed tomography(CBCT), excluding the effect of cortical bone thickness. Methods We measured the impact response of a dental implant placed into swine bone specimens composed of only trabecular bone without the cortical bone layer using an inductive sensor. The peak frequency of the impact response spectrum was determined as an implant stability criterion (SPF). The 3D microstructural parameters were calculated from CT images of the bone specimens obtained using both micro-CT and CBCT. Results SPF had significant positive correlations with trabecular bone structural parameters (BV/TV, BV, BS, BSD, Tb.Th, Tb.N, FD, and BS/BV) (Pmicro-CT and CBCT (Pimplant stability prediction by combining BV/TV and SMI in the stepwise forward regression analysis. Bone with high volume density and low surface density shows high implant stability. Well-connected thick bone with small marrow spaces also shows high implant stability. The combination of bone density and architectural parameters measured using CBCT can predict the implant stability more accurately than the density alone in clinical diagnoses. PMID:27127692

Hydrodynamic stability theory of double ablation front structures in inertial confinement fusion

International Nuclear Information System (INIS)

Yanez Vico, C.

2012-11-01

For moderate-Z materials, the hydrodynamic structure of the ablation region formed by the irradiation of high intensity laser beams differs from that of low-Z materials (hydrogenic ablators). In particular, the role played by the radiative energy flux becomes non-negligible for increasing atomic number material and ended up forming a second ablation front. This structure of two separated ablation fronts, called double ablation (DA) front, was confirmed in the simulations carried out by Fujioka et al. In this work a linear stability theory of DA fronts is developed for direct-drive inertial confinement fusion targets. Two models are proposed. First, a sharp boundary model where the thin front approximation is assumed for both ablation fronts. The information about the corona region that permits to close the sharp boundary model is obtained from a prior self-consistent analysis of the electronic-radiative ablation (ERA) front. Numerical results are presented as well as an analytical approach for the radiation dominated regime of very steep double ablation front structure. Second, a self-consistent numerical method where the finite length of the ablation fronts is considered. Accurate hydrodynamic profiles are taken into account in the theoretical model by means of a fitting parameters method using one-dimensional simulation results. Numerical dispersion relation is compared to the analytical sharp boundary model showing an excellent agreement for the radiation dominated regime, and the stabilization due to smooth profiles. 2D simulations are presented to validate the linear stability theory

The pygmy whitefish, Coregonus coulteri, in Lake Superior

Science.gov (United States)

Eschmeyer, Paul H.; Bailey, Reeve M.

1955-01-01

Bottom trawling by the U. S. Fish and Wildlife Service motor vessel Cisco in Lake Superior in 1952–1953 revealed a large population of a tiny whitefish, Coregonus (Prosopium) coulteri, which has been reported previously only from northwestern North America. The hiatus in range, from Lake Superior to the Columbia River basin, is the greatest known for a North American freshwater fish. Although minor structural differences characterize the disjunct populations of the pygmy whitefish, these are not deemed worthy of nomenclatorial recognition. Comparisons with related species indicate that the pygmy whitefish is distinctive in the small size, large scales, few vertebrae, few pyloric caeca, and in other characters.

Epothilones as lead structures for the synthesis-based discovery of new chemotypes for microtubule stabilization.

Science.gov (United States)

Feyen, Fabian; Cachoux, Frédéric; Gertsch, Jürg; Wartmann, Markus; Altmann, Karl-Heinz

2008-01-01

Epothilones are macrocyclic bacterial natural products with potent microtubule-stabilizing and antiproliferative activity. They have served as successful lead structures for the development of several clinical candidates for anticancer therapy. However, the structural diversity of this group of clinical compounds is rather limited, as their structures show little divergence from the original natural product leads. Our own research has explored the question of whether epothilones can serve as a basis for the development of new structural scaffolds, or chemotypes, for microtubule stabilization that might serve as a basis for the discovery of new generations of anticancer drugs. We have elaborated a series of epothilone-derived macrolactones whose overall structural features significantly deviate from those of the natural epothilone scaffold and thus define new structural families of microtubule-stabilizing agents. Key elements of our hypermodification strategy are the change of the natural epoxide geometry from cis to trans, the incorporation of a conformationally constrained side chain, the removal of the C3-hydroxyl group, and the replacement of C12 with nitrogen. So far, this approach has yielded analogs 30 and 40 that are the most advanced, the most rigorously modified, structures, both of which are potent antiproliferative agents with low nanomolar activity against several human cancer cell lines in vitro. The synthesis was achieved through a macrolactone-based strategy or a high-yielding RCM reaction. The 12-aza-epothilone ("azathilone" 40) may be considered a "non-natural" natural product that still retains most of the overall structural characteristics of a true natural product but is structurally unique, because it lies outside of the general scope of Nature's biosynthetic machinery for polyketide synthesis. Like natural epothilones, both 30 and 40 promote tubulin polymerization in vitro and at the cellular level induce cell cycle arrest in mitosis. These

On dependence of stability of lanthanum complexes with aminopolycarboxylic acids on the complex structure

International Nuclear Information System (INIS)

Poluehktov, N.S.; Meshkova, S.B.; Danilkovich, M.M.; Topilova, Z.M.

1985-01-01

Regularities in changes of stability constants of lanthanum complexes with aminopolycarboxylic acids (APA) versus their structure are studied, The stability of lathanum-APA complexes depends mainly on the number of carboxyl groups in a ligand molecule. At that, the highest stability constant is characteristic of a complex with a ligand, containing 3 nitrogen atoms and 5 carboxyl groups, in the presenoe of which the lanthanum ion coordination sphere gets satupated. The oxyethy group introduction into a ligand molecule also improves the lanthanum complex stability but to a lesser degree than during the introduction of a carboxyl group. The number of nitrogen atoms in a ligand polecule affects insignificantly the complex stability constant value, and the elongation of a chain of CH 2 groups, separating nitrogen atoms, reduces the constant to a -0.6 power

Dynamics and stability of radiation-driven double ablation front structures

International Nuclear Information System (INIS)

Drean, V.; Olazabal-Loume, M.; Tikhonchuk, V. T.; Sanz, J.

2010-01-01

The dynamics of double ablation front (DAF) structures is studied for planar targets with moderate atomic number ablators. These structures are obtained in hydrodynamic simulations for various materials and laser intensities and are qualitatively characterized during the acceleration stage of the target. The importance of the radiative transport for the DAF dynamics is then demonstrated. Simulated hydrodynamic profiles are compared with a theoretical model, showing the consistency of the model and the relevant parameters for the dynamics description. The stability of DAF structures with respect to two-dimensional perturbations is studied using two different approaches: one considers the assumptions of the theoretical model and the other one a more complete physics. The numerical simulations performed with both approaches demonstrate good agreement of dispersion curves.

Assessment of structural stability of a degraded sandy clay loam soil ...

African Journals Online (AJOL)

The effects of bare, two legumes and four grasses cover treatments on the structural stability of a sandy clay loam Ultisol were studied within a two year period. The experiment was of a randomised complete block design with seven treatments. The legume treatments were Centrosema pubescens (Ce) and Pueraria ...

The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons

Science.gov (United States)

Yang, Huihui; Chen, Hongshan

2017-07-01

The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspond to the magic numbers and will show specific stabilities. We explore in detail the geometric structures, stabilities and electronic structures of Al-Mg clusters containing 18 and 20 valence electrons by using genetic algorithm combined with density functional theories. The stabilities of the clusters are governed by the electronic configurations and Mg/Al ratios. The clusters with lower Mg/Al ratios are more stable. The molecular orbitals accord with the shell structures predicted by the jellium model but the 2S level interweaves with the 1D levels and the 2S and 1D orbitals form a subgroup. The clusters having 20 valence electrons form closed 1S21P61D102S2 shells and show enhanced stability. The Al-Mg clusters with a valence electron count of 18 do not form closed shells because one 1D orbital is unoccupied. The ionization potential and electron affinity are closely related to the electronic configurations; their values are determined by the subgroups the HOMO or LUMO belong to. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80042-9

Enhancing the crumb rubber modified asphalt’s storage stability through the control of its internal network structure

Directory of Open Access Journals (Sweden)

Mohyeldin Ragab

2018-01-01

Full Text Available The current research investigated the effect of the internal network structure developed in the crumb rubber modified asphalt (CRMA on its storage stability. The authors investigated the influence of asphalt-crumb rubber modifier (CRM interaction parameters (interaction time, interaction speed, and interaction temperature on the development of the internal network structure in CRMA. The authors found that the existence of three dimensional (3D network structures in the CRMA enhanced its storage stability. Fourier Transform Infrared (FTIR Spectroscopy was utilized to determine the nature of CRM components responsible for the development of 3D network structure in the liquid phase of CRMA. This was achieved by monitoring the changes of the IR distinctive peaks in the CRMA liquid phase. Dissolution tests and thermo gravimetric analysis (TGA were carried out on the extracted CRM after interaction with asphalt to determine the role of CRM dissolved amounts and released components on the development of 3D network structure in CRMA. The asphalt-CRM interaction parameters were found to be essential to induce the formation of the 3D network structure within the liquid phase of the CRMA through controlling the swelling, dissolution and release of CRM components into the asphalt liquid phase. The existence of 3D network structure in the CRMA had determinant impact on the enhancement of its storage stability. Keywords: Storage stability, Three dimensional (3D network, Crumb rubber modified asphalt

Structural Design Optimization of a Tiltrotor Aircraft Composite Wing to Enhance Whirl Flutter Stability

DEFF Research Database (Denmark)

Kim, Taeseong; Kim, Jaehoon; Shin, Sang Joon

2013-01-01

In order to enhance the aeroelastic stability of a tiltrotor aircraft, a structural optimization framework is developed by applying a multi-level optimization approach. Each optimization level is designed to achieve a different purpose; therefore, relevant optimization schemes are selected for each...... level. Enhancement of the aeroelastic stability is selected as an objective in the upper-level optimization. This is achieved by seeking the optimal structural properties of a composite wing, including its mass, vertical, chordwise, and torsional stiffness. In the upper-level optimization, the response...... surface method (RSM), is selected. On the other hand, lower-level optimization seeks to determine the local detailed cross-sectional parameters, such as the ply orientation angles and ply thickness, which are relevant to the wing structural properties obtained at the upper-level. To avoid manufacturing...

Magnetic resonance imaging evaluation of meniscoid superior labrum: normal variant or superior labral tear

Directory of Open Access Journals (Sweden)

Marcelo Novelino Simão

Full Text Available Abstract Objective: The objective of this study was to determine the incidence of a "meniscoid" superior labrum. Materials and Methods: This was a retrospective analysis of 582 magnetic resonance imaging examinations of shoulders. Of those 582 examinations, 110 were excluded, for a variety of reasons, and the final analysis therefore included 472 cases. Consensus readings were performed by three musculoskeletal radiologists using specific criteria to diagnose meniscoid labra. Results: A meniscoid superior labrum was identified in 48 (10.2% of the 472 cases evaluated. Arthroscopic proof was available in 21 cases (43.8%. In 10 (47.6% of those 21 cases, the operative report did not include the mention a superior labral tear, thus suggesting the presence of a meniscoid labrum. In only one of those cases were there specific comments about a mobile superior labrum (i.e., meniscoid labrum. In the remaining 11 (52.4%, surgical correlation demonstrated superior labral tears. Conclusion: A meniscoid superior labrum is not an infrequent finding. Depending upon assumptions and the requirement of surgical proof, the prevalence of a meniscoid superior labrum in this study was between 2.1% (surgically proven and 4.8% (projected. However, superior labral tears are just as common and are often confused with meniscoid labra.

Accuracy Enhanced Stability and Structure Preserving Model Reduction Technique for Dynamical Systems with Second Order Structure

DEFF Research Database (Denmark)

Tahavori, Maryamsadat; Shaker, Hamid Reza

A method for model reduction of dynamical systems with the second order structure is proposed in this paper. The proposed technique preserves the second order structure of the system, and also preserves the stability of the original systems. The method uses the controllability and observability...... gramians within the time interval to build the appropriate Petrov-Galerkin projection for dynamical systems within the time interval of interest. The bound on approximation error is also derived. The numerical results are compared with the counterparts from other techniques. The results confirm...

An MRI Study of Superior Temporal Gyrus Volume in Women With Schizotypal Personality Disorder

OpenAIRE

Dickey, Chandlee C.; McCarley, Robert William; Voglmaier, Martina M.; Niznikiewicz, Margaret A.; Seidman, Larry Joel; Demeo, Susan; Frumin, Melissa; Shenton, Martha Elizabeth

2003-01-01

Objective: An abnormal superior temporal gyrus has figured prominently in schizophrenia research, and left superior temporal gyrus volume has been shown to be smaller in male subjects with schizotypal personality disorder. This is the first structural magnetic resonance imaging study to examine a group of female subjects with schizotypal personality disorder. Method: The superior temporal gyrus was drawn on coronal images acquired from female subjects recruited from the community (schizotypal...

Effects of sorbitol and glycerol on the structure, dynamics, and stability of Mycobacterium tuberculosis pyrazinamidase

Directory of Open Access Journals (Sweden)

Mehrnoosh Khajehzadeh

2016-01-01

Conclusion: It can be concluded that the native conformation of the enzyme was stabilized in the sorbitol and glycerol and tend to exclude from the PZase surface, forcing the enzyme to keep it in the compactly folded conformation. The glycerol molecules stabilized PZase by decreasing the loops flexibility and then compacting the enzyme structure. It appears that more stability of PZase in glycerol solution correlates with its amphiphilic orientation, which decreases the unfavorable interactions of hydrophobic regions.

Structure and stability of the spinach aquaporin SoPIP2;1 in detergent micelles and lipid membranes.

Directory of Open Access Journals (Sweden)

Inés Plasencia

Full Text Available BACKGROUND: SoPIP2;1 constitutes one of the major integral proteins in spinach leaf plasma membranes and belongs to the aquaporin family. SoPIP2;1 is a highly permeable and selective water channel that has been successfully overexpressed and purified with high yields. In order to optimize reconstitution of the purified protein into biomimetic systems, we have here for the first time characterized the structural stability of SoPIP2;1. METHODOLOGY/PRINCIPAL FINDING: We have characterized the protein structural stability after purification and after reconstitution into detergent micelles and proteoliposomes using circular dichroism and fluorescence spectroscopy techniques. The structure of SoPIP2;1 was analyzed either with the protein solubilized with octyl-β-D-glucopyranoside (OG or reconstituted into lipid membranes formed by E. coli lipids, diphytanoylphosphatidylcholine (DPhPC, or reconstituted into lipid membranes formed from mixtures of 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPE, 1-palmitoyl-2oleoyl-phosphatidylethanolamine (POPE, 1-palmitoyl-2-oleoyl-phosphatidylserine (POPS, and ergosterol. Generally, SoPIP2;1 secondary structure was found to be predominantly α-helical in accordance with crystallographic data. The protein has a high thermal structural stability in detergent solutions, with an irreversible thermal unfolding occurring at a melting temperature of 58°C. Incorporation of the protein into lipid membranes increases the structural stability as evidenced by an increased melting temperature of up to 70°C. CONCLUSION/SIGNIFICANCE: The results of this study provide insights into SoPIP2;1 stability in various host membranes and suggest suitable choices of detergent and lipid composition for reconstitution of SoPIP2;1 into biomimetic membranes for biotechnological applications.

TPGS-Stabilized Curcumin Nanoparticles Exhibit Superior Effect on Carrageenan-Induced Inflammation in Wistar Rat

Directory of Open Access Journals (Sweden)

Heni Rachmawati

2016-08-01

Full Text Available Curcumin, a hydrophobic polyphenol compound derived from the rhizome of the Curcuma genus, has a wide spectrum of biological and pharmacological applications. Previously, curcumin nanoparticles with different stabilizers had been produced successfully in order to enhance solubility and per oral absorption. In the present study, we tested the anti-inflammatory effect of d-α-Tocopheryl polyethylene glycol 1000 succinate (TPGS-stabilized curcumin nanoparticles in vivo. Lambda-carrageenan (λ-carrageenan was used to induce inflammation in rats; it was given by an intraplantar route and intrapelurally through surgery in the pleurisy test. In the λ-carrageenan-induced edema model, TPGS-stabilized curcumin nanoparticles were given orally one hour before induction and at 0.5, 4.5, and 8.5 h after induction with two different doses (1.8 and 0.9 mg/kg body weight (BW. Sodium diclofenac with a dose of 4.5 mg/kg BW was used as a standard drug. A physical mixture of curcumin-TPGS was also used as a comparison with a higher dose of 60 mg/kg BW. The anti-inflammatory effect was assessed on the edema in the carrageenan-induced paw edema model and by the volume of exudate as well as the number of leukocytes reduced in the pleurisy test. TPGS-stabilized curcumin nanoparticles with lower doses showed better anti-inflammatory effects, indicating the greater absorption capability through the gastrointestinal tract.

The effect of structured triglycerides on the kinetic stability of total nutrient admixtures.

Science.gov (United States)

Balogh, Judit; Bubenik, Júlia; Dredán, Judit; Csempesz, Ferenc; Kiss, Dorottya; Zelkó, Romána

2005-10-05

The physical stability of two types of total parenteral nutrient (TPN) admixtures was studied as a function of storage time and temperature. One of them contained only structured triglycerides and the other exclusively long-chain triglycerides as lipid components. Droplet size of the mixtures was followed by photon correlation spectroscopy for 10 days. Zeta potential and dynamic surface tension measurements were carried out to evaluate the possible changes in the charge and interfacial surface tension of the emulsion droplets during the storage. pH values were monitored in order to follow the possible decomposition processes in the course of storage. Droplet size of emulsions prepared with lipids containing exclusively long-chain triglycerides showed remarkable increase after 4 days of storage in contrast with that of the mixtures containing structured lipids. The obtained results indicate that besides the advantageous metabolic effects of structured triglycerides, their application is recommended to improve the physical stability of TPN admixtures.

The effect of exchange-correlation on change and stability of crystal structure

International Nuclear Information System (INIS)

Yazdani, A.; Niazi, M.; Alimardan, V.

2007-01-01

Since exchange interaction energy has effect on band structure via polarization of spin of free electron, then can directly effects formation crystal structure. Therefore exchange-correlation is able to have an effect on determination of crystal structure or its change and stability. This energy is subject to fluctuation range of electrons between conduction band and valance band or density of electrons which due to increase the entropy of system, via Gibss Energy .We investigated these factors: 1) Size of ions 2) Density of States 3) Range of inter atomic and pair-potential.

Does gender activism aggravate the superiority of one gender over ...

African Journals Online (AJOL)

Does gender activism aggravate the superiority of one gender over the other? ... findings reveal that firstly, failure to value and embrace diversity by males, perpetuate gender discrimination. ... Keywords: Context, Culture, Structures, Systems ...

Valence electron structure and properties of stabilized ZrO2

Institute of Scientific and Technical Information of China (English)

LI JinPing; HAN JieOai; MENG SongHe; ZHANG XingHong

2008-01-01

To reveal the properties of stabilizers in ZrO2 on nanoscopic levels,the valence elec-tron structures of four stable ZrO2 phases and c-ZrO2 were analyzed on the basis of the empirical electron theory of solids and molecules.The results showed that the hybridization levels of Zr atoms in c-ZrO2 doped with Ca and Mg dropped from B17 to B13,the hybridization levels of Zr atoms in c-ZrO2 doped with Y and Ce dropped from B17 to B15,and that the four stabilizing atoms all made the hybridization levels of O atoms drop from level 4 to level 2.The numbers of covalent electrons in the strongest covalent bond in the descending order are c-ZrO2>ZrCeO2>ZrYOZrMgO>ZrCaO.The bond energies of the strongest covalent bond and the melting points of the solid solutions in the descending order are ZrCeO2>c-ZrO2>ZrYO>ZrMgO>ZrCaO.The percent-ages of the total number of covalent electrons in the descending order arec-ZrO2>ZrYO> ZrCeO2>ZrMgO> ZrCaO.From the above analysis,it can be concluded that the stabilizing degrees of the four stabilizers in the descending order are CaO> MgO>Y2O3>CeO2.

Flexible Structure Control Scheme of a UAVs Formation to Improve the Formation Stability During Maneuvers

Directory of Open Access Journals (Sweden)

Kownacki Cezary

2017-09-01

Full Text Available One of the issues related to formation flights, which requires to be still discussed, is the stability of formation flight in turns, where the aerodynamic conditions can be substantially different for outer vehicles due to varying bank angles. Therefore, this paper proposes a decentralized control algorithm based on a leader as the reference point for followers, i.e. other UAVs and two flocking behaviors responsible for local position control, i.e. cohesion and repulsion. But opposite to other research in this area, the structure of the formation becomes flexible (structure is being reshaped and bent according to actual turn radius of the leader. During turns the structure is bent basing on concentred circles with different radiuses corresponding to relative locations of vehicles in the structure. Simultaneously, UAVs' air-speeds must be modified according to the length of turn radius to achieve the stability of the structure. The effectiveness of the algorithm is verified by the results of simulated flights of five UAVs.

Phase structures of the black Dp-D(p+4)-brane system in various ensembles II: electrical and thermodynamic stability

International Nuclear Information System (INIS)

Xiao, Zhiguang; Zhou, Da

2015-01-01

By incorporating the electrical stability condition into the discussion, we continue the study on the thermodynamic phase structures of the Dp-D(p+4) black brane in GG, GC, CG, CC ensembles defined in our previous paper http://dx.doi.org/10.1007/JHEP07(2015)134. We find that including the electrical stability conditions in addition to the thermal stability conditions does not modify the phase structure of the GG ensemble but puts more constraints on the parameter space where black branes can stably exist in GC, CG, CC ensembles. In particular, the van der Waals-like phase structure which was supposed to be present in these ensembles when only thermal stability condition is considered would no longer be visible, since the phase of the small black brane is unstable under electrical fluctuations. However, the symmetry of the phase structure by interchanging the two kinds of brane charges and potentials is still preserved, which is argued to be the result of T-duality.

Relationship between the structural stability with the types and land uses in southeastern Spain

International Nuclear Information System (INIS)

Marin Sanleandro, P.; Sanchez Navarro, A.; Delgado Iniesta, M. J.; Fernandez-Delgado Juarez, M.

2009-01-01

Structural stability is one of the most important physical properties and is proposed as an indicator of quality. The aim of this study is to see the possible relationship between this property with soil types and uses of them. In this paper we have selected the Mazarron area based on their environmental characteristics and has taken forty-one topsoil samples, after analysis and study of the relationship between its structural stability with soil types and uses of same, we find a closer relationship in the case of uses that type, so that the natural soil as the percentage of stable aggregates close to 75%, while in soils anthropized this value reaches 44 %. (Author) 6 refs

Cu–Ni core–shell nanoparticles: structure, stability, electronic, and magnetic properties: a spin-polarized density functional study

Energy Technology Data Exchange (ETDEWEB)

Wang, Qiang, E-mail: wangqiang@njtech.edu.cn; Wang, Xinyan; Liu, Jianlan; Yang, Yanhui [Nanjing Tech University, School of Chemistry and Molecular Engineering, Institute of Advanced Synthesis (IAS) (China)

2017-02-15

Bimetallic core–shell nanoparticles (CSNPs) have attracted great interest not only because of their superior stability, selectivity, and catalytic activity but also due to their tunable properties achieved by changing the morphology, sequence, and sizes of both core and shell. In this study, the structure, stability, charge transfer, electronic, and magnetic properties of 13-atom and 55-atom Cu and Cu–Ni CSNPs were investigated using the density functional theory (DFT) calculations. The results show that Ni@Cu CSNPs with a Cu surface shell are more energetically favorable than Cu@Ni CSNPs with a Ni surface shell. Interestingly, three-shell Ni@Cu{sub 12}@Ni{sub 42} is more stable than two-shell Cu{sub 13}@Ni{sub 42}, while two-shell Ni{sub 13}@Cu{sub 42} is more stable than three-shell Cu@Ni{sub 12}@Cu{sub 42}. Analysis of Bader charge illustrates that the charge transfer increases from Cu core to Ni shell in Cu@Ni NPs, while it decreases from Ni core to Cu shell in Ni@Cu NPs. Furthermore, the charge transfer results that d-band states have larger shift toward the Fermi level for the Ni@Cu CSNPs with Cu surface shell, while the Cu@Ni CSNPs with Ni surface shell have similar d-band state curves and d-band centers with the monometallic Ni NPs. In addition, the Cu–Ni CSNPs possess higher magnetic moment when the Ni atoms aggregated at core region of CSNPs, while having lower magnetic moment when the Ni atoms segregate on surface region. The change of the Cu atom location in CSNPs has a weak effect on the total magnetic moment. Our findings provide useful insights for the design of bimetallic core–shell catalysts.

Extended X-ray absorption fine structure investigation of nitrogen stabilized expanded austenite

DEFF Research Database (Denmark)

Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny

2010-01-01

As-delivered austenitic stainless steel and nitrogen stabilized expanded austenite, both fully nitrided and denitrided (in H2), were investigated with Cr, Fe and Ni extended X-ray absorption fine structure. The data shows pronounced short-range ordering of Cr and N. For the denitrided specimen...

The flow field structure of highly stabilized partially premixed flames in a concentric flow conical nozzle burner with coflow

KAUST Repository

Elbaz, Ayman M.; Zayed, M.F.; Samy, M.; Roberts, William L.; Mansour, Mohy S.

2015-01-01

The stability limits, the stabilization mechanism, and the flow field structure of highly stabilized partially premixed methane flames in a concentric flow conical nozzle burner with air co-flow have been investigated and presented in this work

First-principle study of structure and stability of nickel carbides

Energy Technology Data Exchange (ETDEWEB)

Gibson, Josh S; Uddin, Jamal; Cundari, Thomas R; Bodiford, Nelli K; Wilson, Angela K [Center for Advanced Scientific Computing and Modeling, University of North Texas, Denton, TX 76203 (United States); Department of Chemistry, University of North Texas, 1155 Union Circle 305070, Denton, TX 76203 (United States)

2010-10-10

Computational studies of nickel carbides, particularly Ni{sub 2}C, are scarce. A systematic density functional theory study is reported for Ni{sub 2}C, along with NiC and Ni{sub 3}C, to understand the stability and electronic structure of nickel carbides of varying stoichiometry. A comprehensive study was executed that involved 28 trial structures of varying space group symmetry for Ni{sub 2}C. An analysis of the electronic structure, geometry and thermodynamics of Ni{sub 2}C is performed, and compared with that for Ni{sub 3}C and NiC as well as several defect structures of varying composition. It is found that the most stable ground state arrangement of Ni{sub 2}C exists within a simple orthorhombic lattice and that it has metallic character. The calculated formation energies (kcal mol{sup -1}) of NiC, Ni{sub 2}C, and Ni{sub 3}C are 48.6, 7.9 and 6.4, respectively.

Contribution of simple saccharides to the stabilization of amyloid structure

International Nuclear Information System (INIS)

Fung, Justin; Darabie, Audrey A.; McLaurin, JoAnne

2005-01-01

The use of osmolytes or chaperones to stabilize proteins/peptides that misfold in neurodegenerative diseases is an attractive concept for drug development. We have investigated the role of a series of small carbohydrates for protection of the natively structured Alzheimer's amyloid-β peptides (Aβ). Using circular dichroism spectroscopy to follow the β-structural transitions and electron microscopy to examine tertiary structural characteristics, we demonstrate that the hydrogen bonding capacity of the carbohydrate determines the inhibition or promotion of fibrillogenesis. Three sugar molecules that vary only in their distribution of potential H-bonding partners promote various structural changes in Aβ. Two of these sugar molecules are excluded from Aβ during aggregation and promote mature fibre growth, while the other binds Aβ promoting nucleation and the accumulation of protofibrils. Our studies suggest that utilization of a combinatorial strategy to alter H-bonding capacity across a simple carbohydrate molecule may represent a novel drug design strategy

Seismic stability of a standalone glove box structure

Energy Technology Data Exchange (ETDEWEB)

Saraswat, A., E-mail: anupams@barc.gov.in [Bhabha Atomic Research Centre, Mumbai (India); Reddy, G.R. [Bhabha Atomic Research Centre, Mumbai (India); Ghosh, S. [Indian Institute of Technology Bombay, Mumbai (India); Ghosh, A.K.; Kumar, Arun [Bhabha Atomic Research Centre, Mumbai (India)

2014-09-15

Highlights: • Glove box is a leak tight, safety related structure used for handling radiotoxic materials. • To study the seismic performance of a freestanding glove box, extensive shake table testing has been carried out. • Glove box maintained structural integrity and leak tightness up to design basis earthquake loading. • Detailed three-dimensional finite element model of the structure is developed and analyzed by using direct time integration methods. • Simplified numerical method is proposed and successfully applied, to quickly estimate sliding displacement and determine upper bounds for it. - Abstract: In a nuclear fuel cycle facility, radiotoxic materials are being handled in freestanding leak tight enclosures called glove boxes (GBs). These glove boxes act as a primary confinement for the radiotoxic materials. Glove boxes are designed as per codal requirements for class I component. They are designed to withstand extreme level of earthquake loading with a return period of 10,000 years. To evaluate seismic performance of the glove box, there is a need to check the stability (sliding and overturning), structural integrity (stresses and strains) and leak tightness under earthquake loading. Extensive shake table experiments were conducted on a single standalone glove box. Actual laboratory conditions were simulated during testing to check the response. After extensive shake table testing, glove box structure was also analyzed using finite element (FE) software. Detailed three-dimensional model of glove box structure was developed and analyzed using nonlinear time history method. It was observed that finite element methods could be utilized to accurately predict dynamic response of glove box structure. This paper discusses the details and results of shake table testing and methodology used for modelling and analysing freestanding glove box structure under seismic loading. In addition, simplified numerical procedure, developed using energy conservation

Seismic stability of a standalone glove box structure

International Nuclear Information System (INIS)

Saraswat, A.; Reddy, G.R.; Ghosh, S.; Ghosh, A.K.; Kumar, Arun

2014-01-01

Highlights: • Glove box is a leak tight, safety related structure used for handling radiotoxic materials. • To study the seismic performance of a freestanding glove box, extensive shake table testing has been carried out. • Glove box maintained structural integrity and leak tightness up to design basis earthquake loading. • Detailed three-dimensional finite element model of the structure is developed and analyzed by using direct time integration methods. • Simplified numerical method is proposed and successfully applied, to quickly estimate sliding displacement and determine upper bounds for it. - Abstract: In a nuclear fuel cycle facility, radiotoxic materials are being handled in freestanding leak tight enclosures called glove boxes (GBs). These glove boxes act as a primary confinement for the radiotoxic materials. Glove boxes are designed as per codal requirements for class I component. They are designed to withstand extreme level of earthquake loading with a return period of 10,000 years. To evaluate seismic performance of the glove box, there is a need to check the stability (sliding and overturning), structural integrity (stresses and strains) and leak tightness under earthquake loading. Extensive shake table experiments were conducted on a single standalone glove box. Actual laboratory conditions were simulated during testing to check the response. After extensive shake table testing, glove box structure was also analyzed using finite element (FE) software. Detailed three-dimensional model of glove box structure was developed and analyzed using nonlinear time history method. It was observed that finite element methods could be utilized to accurately predict dynamic response of glove box structure. This paper discusses the details and results of shake table testing and methodology used for modelling and analysing freestanding glove box structure under seismic loading. In addition, simplified numerical procedure, developed using energy conservation

Designing of new structure PID controller of boost converter for solar photovoltaic stability

Science.gov (United States)

Shabrina, Hanifati Nur; Setiawan, Eko Adhi; Sabirin, Chip Rinaldi

2017-03-01

Nowadays, the utilization of renewable energy as the source on distributed generation system is increasing. It aims to reduce reliance and power losses from utility grid and improve power stability in near loads. One example of renewable energy technology that have been highly proven on the market is solar photovoltaic (PV). This technology converts photon from sunlight into electricity. However, the fluctuation of solar radiation that often occurs become the main problem for this system. Due to this condition, the power conversion is needed to convert the change frequently in photovoltaic panel into a stable voltage to the system. Developing control of boost converter has important role to keep ability of system stabilization. A conventional PID (Proportional, Integral, Derivative) control is mostly used to achieve this goal. In this research, a design of new structure PID controller of boost converter is offered to better optimize system stability comparing to the conventional PID. Parameters obtained from this PID structure have been successfully yield a stable boost converter output at 200 V with 10% overshoot, 1.5 seconds of settling time, and 1.5% of steady-state error.

Preparation of Sandy Soil Stabilizer for Roads Based on Radiation Modified Polymer Composite

International Nuclear Information System (INIS)

Elnahas, H.H.

2016-01-01

Radiation modified polymer composite (RMPC) was studied to build an extremely durable sandy road, construct a trail or bath, or control dust and erosion. A dilute solution of composite binds sandy soil fines through a coagulation bonding process. The result is a dense soil structure that has superior resistance to cracks and water penetration and can also solve erosion control problems. In erosion control applications, diluted composite is merely sprayed into sandy soil without compaction, effectively sealing the surface to prevent air-born dust or deterioration from erosion. The prepared composite has an elastic and melt-able film formation that imparts thermal compacting to the stabilized sandy soil after full dryness for sandy road leveling, repairing and restoration processes. The prepared composite is environmentally economical when compared with traditional sandy soil stabilizing (SSS) or sealing methods.

Prediction and analysis of structure, stability and unfolding of thermolysin-like proteases

Science.gov (United States)

Vriend, Gert; Eijsink, Vincent

1993-08-01

Bacillus neutral proteases (NPs) form a group of well-characterized homologous enzymes, that exhibit large differences in thermostability. The three-dimensional (3D) structures of several of these enzymes have been modelled on the basis of the crystal structures of the NPs of B. thermoproteolyticus (thermolysin) and B. cercus. Several new techniques have been developed to improve the model-building procedures. Also a model-building by mutagenesis' strategy was used, in which mutants were designed just to shed light on parts of the structures that were particularly hard to model. The NP models have been used for the prediction of site-directed mutations aimed at improving the thermostability of the enzymes. Predictions were made using several novel computational techniques, such as position-specific rotamer searching, packing quality analysis and property-profile database searches. Many stabilizing mutations were predicted and produced: improvement of hydrogen bonding, exclusion of buried water molecules, capping helices, improvement of hydrophobic interactions and entropic stabilization have been applied successfully. At elevated temperatures NPs are irreversibly inactivated as a result of autolysis. It has been shown that this denaturation process is independent of the protease activity and concentration and that the inactivation follows first-order kinetics. From this it has been conjectured that local unfolding of (surface) loops, which renders the protein susceptible to autolysis, is the rate-limiting step. Despite the particular nature of the thermal denaturation process, normal rules for protein stability can be applied to NPs. However, rather than stabilizing the whole protein against global unfolding, only a small region has to be protected against local unfolding. In contrast to proteins in general, mutational effects in proteases are not additive and their magnitude is strongly dependent on the location of the mutation. Mutations that alter the stability

Oxidative stability of milk drinks containing structured lipids produced from sunflower oil and caprylic acid

DEFF Research Database (Denmark)

Timm Heinrich, Maike; Xu, Xuebing; Nielsen, Nina Skall

2003-01-01

Milk drinks containing 5% traditional sunflower oil (SO), randomized lipid (RL) or specific structured lipid (SL) (both produced from SO and tricaprylin/caprylic acid) were compared with respect to their particle size, viscosity and oxidative stability during storage. Furthermore, the effect...... drink could not be ascribed was most likely influenced by the structure of the lipid and to a single factor, differences in the process applied to produce and purify the lipids. EDTA was a strong antioxidant, while gallic acid did not exert a distinct antioxidative effect in the milk drink based on SL....... of adding potential antioxidants EDTA or gallic acid to the milk drink based on SL was investigated. The lipid type significantly affected the oxidative stability of the milk drinks: Milk drink based on SL oxidized faster than milk drink based on RL or SO. The reduced oxidative stability in the SL milk...

Straightforward and accurate technique for post-coupler stabilization in drift tube linac structures

Directory of Open Access Journals (Sweden)

Mohammad Reza Khalvati

2016-04-01

Full Text Available The axial electric field of Alvarez drift tube linacs (DTLs is known to be susceptible to variations due to static and dynamic effects like manufacturing tolerances and beam loading. Post-couplers are used to stabilize the accelerating fields of DTLs against tuning errors. Tilt sensitivity and its slope have been introduced as measures for the stability right from the invention of post-couplers but since then the actual stabilization has mostly been done by tedious iteration. In the present article, the local tilt-sensitivity slope TS_{n}^{′} is established as the principal measure for stabilization instead of tilt sensitivity or some visual slope, and its significance is developed on the basis of an equivalent-circuit diagram of the DTL. Experimental and 3D simulation results are used to analyze its behavior and to define a technique for stabilization that allows finding the best post-coupler settings with just four tilt-sensitivity measurements. CERN’s Linac4 DTL Tank 2 and Tank 3 have been stabilized successfully using this technique. The final tilt-sensitivity error has been reduced from ±100%/MHz down to ±3%/MHz for Tank 2 and down to ±1%/MHz for Tank 3. Finally, an accurate procedure for tuning the structure using slug tuners is discussed.

Straightforward and accurate technique for post-coupler stabilization in drift tube linac structures

Science.gov (United States)

Khalvati, Mohammad Reza; Ramberger, Suitbert

2016-04-01

The axial electric field of Alvarez drift tube linacs (DTLs) is known to be susceptible to variations due to static and dynamic effects like manufacturing tolerances and beam loading. Post-couplers are used to stabilize the accelerating fields of DTLs against tuning errors. Tilt sensitivity and its slope have been introduced as measures for the stability right from the invention of post-couplers but since then the actual stabilization has mostly been done by tedious iteration. In the present article, the local tilt-sensitivity slope TSn' is established as the principal measure for stabilization instead of tilt sensitivity or some visual slope, and its significance is developed on the basis of an equivalent-circuit diagram of the DTL. Experimental and 3D simulation results are used to analyze its behavior and to define a technique for stabilization that allows finding the best post-coupler settings with just four tilt-sensitivity measurements. CERN's Linac4 DTL Tank 2 and Tank 3 have been stabilized successfully using this technique. The final tilt-sensitivity error has been reduced from ±100 %/MHz down to ±3 %/MHz for Tank 2 and down to ±1 %/MHz for Tank 3. Finally, an accurate procedure for tuning the structure using slug tuners is discussed.

Lipoestructura y relleno del polo superior de la mama frente a implantes Structural fat graft and lipofilling of mammary upper pole versus mammary implants

Directory of Open Access Journals (Sweden)

J.M. Cervilla Lozano

2012-09-01

Full Text Available La lipoestructura mamaria ofrece nuevas alternativas de tratamiento en la cirugía estética de aumento mamario, cumpliendo en algunos casos las expectativas esperadas y en otros no. Analizamos este hecho en 4 tipos de aplicación de lipoestructura mamaria que hemos venido realizando en los últimos años, centrándonos en un aspecto importante de esta cirugía que es el relleno del polo superior de la mama. Los tipos de aplicación empleados son: aumento mamario simple mediante lipoestructura en comparación con implantes; pexia más lipoestructura frente a pexia más implantes mamarios; reconstrucción de mama tuberosa mediante lipoestructura o implantes y finalmente, relleno periprotésico mediante lipoestructura en mamas sometidas a cirugía de aumento mamario con implantes. En definitiva, podríamos resumir este trabajo en una frase diciendo que la lipoestructura mamaria, a nuestro juicio, no sirve si lo que prima es conseguir el relleno del polo superior de la mama, siendo en este caso de elección la colocación de implantes mamarios. No obstante, en alguno de los casos señalados no solo es una alternativa, sino que obtiene resultados superiores a los logrados sólamente con implantes.The mammary structural fat graft offers news treatment options in breast augmentation cosmetic surgery, but it sometimes meets expectations and sometimes doesn´t. We analyze 4 different types of lipostructure mammary applications that we have been using in the last years, focused in an important aspect of this surgery as it´s the filling of the upper mammary pole. These applications are: mammary augmentation by simple structural fat compared with the use of mammary implants; structural fat graft and mastopexy versus implants and mastopexy; tuberous breast reconstruction using structural fat graft or implants and finally, periprosthetic filling in breast augmentation with mammary implants using structural fat graft. In short, we could summarize this paper

Effect of ionic liquid on activity, stability, and structure of enzymes: a review.

Science.gov (United States)

Naushad, Mu; Alothman, Zied Abdullah; Khan, Abbul Bashar; Ali, Maroof

2012-11-01

Ionic liquids have shown their potential as a solvent media for many enzymatic reactions as well as protein preservation, because of their unusual characteristics. It is also observed that change in cation or anion alters the physiochemical properties of the ionic liquids, which in turn influence the enzymatic reactions by altering the structure, activity, enatioselectivity, and stability of the enzymes. Thus, it is utmost need of the researchers to have full understanding of these influences created by ionic liquids before choosing or developing an ionic liquid to serve as solvent media for enzymatic reaction or protein preservation. So, in the present review, we try to shed light on effects of ionic liquids chemistry on structure, stability, and activity of enzymes, which will be helpful for the researchers in various biocatalytic applications. Copyright © 2012. Published by Elsevier B.V.

Structure, elastic properties and phase stability of Cr1-xAlxN

International Nuclear Information System (INIS)

Mayrhofer, P.H.; Music, D.; Reeswinkel, Th.; Fuss, H.-G.; Schneider, J.M.

2008-01-01

The effect of composition and metal sublattice population on the phase stability, structure and elastic properties of cubic (c), hexagonal (h) and orthorhombic spin-polarized Cr 1-x Al x N was studied using ab initio calculations. Excellent correlation between ab initio and experimentally obtained lattice parameters and elastic constants was obtained. The energy of formation suggests that the cubic phase can be stabilized for x in the range 0.48-0.75, depending on the metal sublattice population. The broad range of x, which is also observed in experiments, can be understood by considering the Al distribution induced changes in the configurational contribution to the total energy

Breaking Dense Structures: Proving Stability of Densely Structured Hybrid Systems

Directory of Open Access Journals (Sweden)

Eike Möhlmann

2015-06-01

Full Text Available Abstraction and refinement is widely used in software development. Such techniques are valuable since they allow to handle even more complex systems. One key point is the ability to decompose a large system into subsystems, analyze those subsystems and deduce properties of the larger system. As cyber-physical systems tend to become more and more complex, such techniques become more appealing. In 2009, Oehlerking and Theel presented a (de-composition technique for hybrid systems. This technique is graph-based and constructs a Lyapunov function for hybrid systems having a complex discrete state space. The technique consists of (1 decomposing the underlying graph of the hybrid system into subgraphs, (2 computing multiple local Lyapunov functions for the subgraphs, and finally (3 composing the local Lyapunov functions into a piecewise Lyapunov function. A Lyapunov function can serve multiple purposes, e.g., it certifies stability or termination of a system or allows to construct invariant sets, which in turn may be used to certify safety and security. In this paper, we propose an improvement to the decomposing technique, which relaxes the graph structure before applying the decomposition technique. Our relaxation significantly reduces the connectivity of the graph by exploiting super-dense switching. The relaxation makes the decomposition technique more efficient on one hand and on the other allows to decompose a wider range of graph structures.

First Principles Prediction of Structure, Structure Selectivity, and Thermodynamic Stability under Realistic Conditions

Energy Technology Data Exchange (ETDEWEB)

Ceder, Gerbrand [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials and Engineering

2018-01-28

Novel materials are often the enabler for new energy technologies. In ab-initio computational materials science, method are developed to predict the behavior of materials starting from the laws of physics, so that properties can be predicted before compounds have to be synthesized and tested. As such, a virtual materials laboratory can be constructed, saving time and money. The objectives of this program were to develop first-principles theory to predict the structure and thermodynamic stability of materials. Since its inception the program focused on the development of the cluster expansion to deal with the increased complexity of complex oxides. This research led to the incorporation of vibrational degrees of freedom in ab-initio thermodynamics, developed methods for multi-component cluster expansions, included the explicit configurational degrees of freedom of localized electrons, developed the formalism for stability in aqueous environments, and culminated in the first ever approach to produce exact ground state predictions of the cluster expansion. Many of these methods have been disseminated to the larger theory community through the Materials Project, pymatgen software, or individual codes. We summarize three of the main accomplishments.

Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands.

Science.gov (United States)

Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei

2017-10-04

A borylene cation stabilized by bis(silylene) and carbon monoxide was prepared and structurally characterized via the reaction of bis(silylene)-stabilized bromoborylene with W(CO) 6 . This is the first example of a borylene cation coordinated by three neutral ligands, which can be viewed as a cationic form of a long-sought Lewis base-stabilized zerovalent boron compound. This cation can cleave dihydrogen.

PWL approximation of nonlinear dynamical systems, part I: structural stability

International Nuclear Information System (INIS)

Storace, M; De Feo, O

2005-01-01

This paper and its companion address the problem of the approximation/identification of nonlinear dynamical systems depending on parameters, with a view to their circuit implementation. The proposed method is based on a piecewise-linear approximation technique. In particular, this paper describes the approximation method and applies it to some particularly significant dynamical systems (topological normal forms). The structural stability of the PWL approximations of such systems is investigated through a bifurcation analysis (via continuation methods)

Stability study of MMC tubes and advanced assemblies for telescope structures

Science.gov (United States)

Nivet-Lutz, Martine; Pommatau, Gilles

2017-11-01

This paper presents new advances concerning the development of an Aluminum Matrix Composite for dimensionally stable satellite structures. Feasibility of thermally stable thin-walled tubes have been acquired through microstructure observation and Coefficient of Thermal Expansion measurement. In order to fit the thermo-mechanical stability domain of tubes on specifications, 3 thermal cycles have been tested, regarding to relaxation of internal stress and changes in macroscopic thermo-mechanical properties. Experimental expansion curves and microstructure observation show that thermal treatments permitts such a good fitting. For a better understanding of physical internal phenomena, internal stress has been measured by neutron diffraction on tube samples after each thermal treatment. Results show a significant decrease of stress due to cycling in cold temperature. In order to decrease the absolute value of CTE of assemblies, a new concept of thermo-mechanical stable linkage has been developped, which consists in a common alumlinum infiltration of superposed carbon preforms. Structural bonding, which usually affects stability properties and impose surface treatments and polymerization, can so be avoided. The study has been achieved through CNES (Centre National d'Etudes Spatiales) and French Ministry of Defense (DGA) supports.

STRUCTURAL STABILITY OF HIGH NITROGEN AUSTENITIC STAINLESS STEELS

Directory of Open Access Journals (Sweden)

Jana Bakajová

2011-05-01

Full Text Available This paper deals with the structural stability of an austenitic stainless steel with high nitrogen content. The investigated steel was heat treated at 800°C using different annealing times. Investigation was carried out using light microscopy, transmission electron microscopy and thermodynamic calculations. Three phases were identified by electron diffraction: Cr2N, sigma – phase and M23C6. The thermodynamic prediction is in good agreement with the experimental result. The only is the M23C6 carbide phase which is not thermodynamically predicted. Cr2N is the majority secondary phase and occurs in the form of discrete particles or cells (lamellas of Cr2N and austenite.

Hydrolytic catalysis and structural stabilization in a designed metalloprotein

Science.gov (United States)

Zastrow, Melissa L.; Peacock, Anna F. A.; Stuckey, Jeanne A.; Pecoraro, Vincent L.

2011-01-01

Metal ions are an important part of many natural proteins, providing structural, catalytic and electron transfer functions. Reproducing these functions in a designed protein is the ultimate challenge to our understanding of them. Here, we present an artificial metallohydrolase, which has been shown by X-ray crystallography to contain two different metal ions – a Zn(II) ion which is important for catalytic activity and a Hg(II) ion which provides structural stability. This metallohydrolase displays catalytic activity that compares well with several characteristic reactions of natural enzymes. It catalyses p-nitrophenyl acetate hydrolysis (pNPA) to within ~100-fold of the efficiency of human carbonic anhydrase (CA)II and is at least 550-fold better than comparable synthetic complexes. Similarly, CO2 hydration occurs with an efficiency within ~500-fold of CAII. While histidine residues in the absence of Zn(II) exhibit pNPA hydrolysis, miniscule apopeptide activity is observed for CO2 hydration. The kinetic and structural analysis of this first de novo designed hydrolytic metalloenzyme uncovers necessary design features for future metalloenzymes containing one or more metals. PMID:22270627

Leaching of concrete : the leaching process : extrapolation of deterioration : effect on the structural stability

OpenAIRE

Fagerlund, Göran

2000-01-01

The leaching process when water attacks concrete, and the effect of leaching on the strength and durability of a concrete structure, is analysed theoretically. Technique for prediction of the future leaching and structural stability is outlined. The analysis is to a certain extent supported by data from literature. The leaching process is divided in five different types: 1: Pure surface leaching 2: Surface leaching involving erosion 3: Homogeneous leaching over the entire structure 4...

Enlarged right superior temporal gyrus in children and adolescents with autism.

Science.gov (United States)

Jou, Roger J; Minshew, Nancy J; Keshavan, Matcheri S; Vitale, Matthew P; Hardan, Antonio Y

2010-11-11

The superior temporal gyrus has been implicated in language processing and social perception. Therefore, anatomical abnormalities of this structure may underlie some of the deficits observed in autism, a severe neurodevelopmental disorder characterized by impairments in social interaction and communication. In this study, volumes of the left and right superior temporal gyri were measured using magnetic resonance imaging obtained from 18 boys with high-functioning autism (mean age=13.5±3.4years; full-scale IQ=103.6±13.4) and 19 healthy controls (mean age=13.7±3.0years; full-scale IQ=103.9±10.5), group-matched on age, gender, and handedness. When compared to the control group, right superior temporal gyral volumes was significantly increased in the autism group after controlling for age and total brain volume. There was no significant difference in the volume of the left superior temporal gyrus. Post-hoc analysis revealed a significant increase of the right posterior superior temporal gyral volume in the autism group, before and after controlling for age and total brain volume. Examination of the symmetry index for the superior temporal gyral volumes did not yield statistically significant between-group differences. Findings from this preliminary investigation suggest the existence of volumetric alterations in the right superior temporal gyrus in children and adolescents with autism, providing support for a neuroanatomical basis of the social perceptual deficits characterizing this severe neurodevelopmental disorder. Copyright © 2010 Elsevier B.V. All rights reserved.

A first principles study of structural stability, electronic structure and mechanical properties of beryllium alanate BeAlH{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Santhosh, M.; Rajeswarapalanichamy, R., E-mail: rajeswarapalanichamy@gmail.com; Priyanga, G. Sudha; Cinthia, A. Jemmy [Department of physics, N.M.S.S.V.N college, Madurai, Tamilnadu-625019 (India); Kanagaprabha, S. [Department of Physics, Kamaraj College, Tuticorin, Tamil Nadu 628003 (India); Iyakutti, K. [Department of Physics and Nanotechnology, SRM University, Chennai, Tamilnadu-603203 (India)

2015-06-24

Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of BeAlH{sub 5} for monoclinic crystal structures with two different types of space group namely P2{sub 1} and C{sub 2}/c. Among the considered structures monoclinic (P2{sub 1}) phase is found to be the most stable at ambient condition. The structural phase transition from monoclinic (P2{sub 1}) to monoclinic (C{sub 2}/c) phase is observed in BeAlH{sub 5}. The electronic structure reveals that this compound is insulator. The calculated elastic constants indicate that this material is mechanically stable at ambient condition.

Formation and thermodynamic stability of (polymer + porphyrin) supramolecular structures in aqueous solutions

International Nuclear Information System (INIS)

Costa, Viviana C.P. da; Hwang, Barrington J.; Eggen, Spencer E.; Wallace, Megan J.; Annunziata, Onofrio

2014-01-01

Highlights: • Thermodynamic stability of a (polymer + porphyrin) supramolecular structure was characterized. • Isothermal titration calorimetry provided two ways to determine reaction enthalpies. • Exothermic (polymer + porphyrin) binding competes with porphyrin self-association. • (Polymer + porphyrin) binding is entropically favored with respect to porphyrin self-association. • Spectral shifts show importance of porphyrin central hydrogens in polymer binding. - Abstract: Optical properties of porphyrins can be tuned through (polymer + porphyrin) (host + guest) binding in solution. This gives rise to the formation of supramolecular structures. In this paper, the formation, thermodynamic stability and spectroscopic properties of (polymer + porphyrin) supramolecular structures and their competition with porphyrin self-association were investigated by both isothermal titration calorimetry (ITC) and absorption spectroscopy. Specifically, reaction enthalpies and equilibrium constants were measured for meso-tetrakis(4-sulfonatophenyl) porphyrin (TPPS) self-association and TPPS binding to the polymer poly(vinylpyrrolidone) (PVP, 40 kg/mol) in aqueous solutions at pH 7 and three different temperatures (12, 25 and 37 °C). ITC, compared to spectroscopic techniques, provides two independent means to determine reaction enthalpies: direct measurements and Van’t Hoff plot. This was used as a criterion to assess that (1) self-association of TPPS is limited to the formation of dimers and (2) TPPS binds to PVP in its monomeric state only. The formation of TPPS dimers and (PVP + TPPS) supramolecular structures are both enthalpically driven. However, (polymer + porphyrin) binding was found to be entropically favored compared to dimerization. Furthermore, the reaction enthalpies of these two processes significantly depend on temperature. This behavior was attributed to hydrophobic interactions. Finally, the limiting absorption spectra of monomeric, dimeric and polymer

Structural and surface properties of highly ordered mesoporous magnesium-aluminium composite oxides derived from facile synthesis

Energy Technology Data Exchange (ETDEWEB)

Pan, Dahai, E-mail: pandahai@foxmail.com; Dong, Zhaoyang; He, Min; Chen, Wei; Chen, Shuwei; Yu, Feng; Fan, Binbin; Cui, Xingyu; Li, Ruifeng, E-mail: rfli@tyut.edu.cn

2017-01-15

Highly ordered mesoporous magnesium-aluminium composite oxides (denoted as OMMA-x) with a variety of n{sub Al}/n{sub Mg} ratios have been successfully synthesized via a facile strategy, and a salt effect was proposed to explain the formation mechanism. The incorporation of Mg can significantly improve the structural and surface properties of ordered mesoporous alumina (OMA) material. The resultant OMMA-x exhibited a much more ordered 2-D hexagonal mesostructure, a narrower pore size distribution, a higher specific surface area and pore volume, and a stronger basicity than those of OMA. More importantly, the highly homogeneous incorporation of Mg at the atomic level and the formation of framework Mg−O−Al bonds could effectively suppress the formation of crystalline alumina during the calcination process. As a result, OMMA-x demonstrated a superior thermal stability. For example, the ordered mesostructure of OMMA-8 could be well maintained with a high surface area of 182 m{sup 2}/g even after thermal treatment at 1000 °C. - Graphical abstract: A schematic procedure to illustrate the preparation of highly ordered mesoporous Mg-Al composite oxides (OMMA-x) with highly homogeneously dispersed Mg species and enhanced structural stability. - Highlights: • Mesoporous Mg-Al composite oxides with excellent structural and surface properties. • A highly homogeneous incorporation of Mg into the mesoporous framework of alumina. • A superior structural stability up to 1000 °C coupled with a large surface area. • A salt effect from the addition of Mg(NO{sub 3}){sub 2}·6H{sub 2}O to explain the formation mechanism.

Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.

Science.gov (United States)

Che, Tao; Majumdar, Susruta; Zaidi, Saheem A; Ondachi, Pauline; McCorvy, John D; Wang, Sheng; Mosier, Philip D; Uprety, Rajendra; Vardy, Eyal; Krumm, Brian E; Han, Gye Won; Lee, Ming-Yue; Pardon, Els; Steyaert, Jan; Huang, Xi-Ping; Strachan, Ryan T; Tribo, Alexandra R; Pasternak, Gavril W; Carroll, F Ivy; Stevens, Raymond C; Cherezov, Vadim; Katritch, Vsevolod; Wacker, Daniel; Roth, Bryan L

2018-01-11

The κ-opioid receptor (KOP) mediates the actions of opioids with hallucinogenic, dysphoric, and analgesic activities. The design of KOP analgesics devoid of hallucinatory and dysphoric effects has been hindered by an incomplete structural and mechanistic understanding of KOP agonist actions. Here, we provide a crystal structure of human KOP in complex with the potent epoxymorphinan opioid agonist MP1104 and an active-state-stabilizing nanobody. Comparisons between inactive- and active-state opioid receptor structures reveal substantial conformational changes in the binding pocket and intracellular and extracellular regions. Extensive structural analysis and experimental validation illuminate key residues that propagate larger-scale structural rearrangements and transducer binding that, collectively, elucidate the structural determinants of KOP pharmacology, function, and biased signaling. These molecular insights promise to accelerate the structure-guided design of safer and more effective κ-opioid receptor therapeutics. Copyright © 2017 Elsevier Inc. All rights reserved.

Optical properties and thermal stability of germanium oxide (GeO2) nanocrystals with α-quartz structure

International Nuclear Information System (INIS)

Ramana, C.V.; Carbajal-Franco, G.; Vemuri, R.S.; Troitskaia, I.B.; Gromilov, S.A.; Atuchin, V.V.

2010-01-01

Germanium dioxide (GeO 2 ) crystals were prepared by a chemical precipitation method at a relatively low-temperature (100 o C). The grown crystals were characterized by studying their microstructure, optical properties and thermal stability. The results indicate that the grown GeO 2 crystals exhibit α-quartz type crystal structure. The lattice parameters obtained from XRD were a = 4.987(4) A and c = 5.652(5) A. Electron microscopy analysis indicates a high structural quality of GeO 2 crystals grown using the present approach. Optical absorption measurements indicate a direct bandgap of 5.72 eV without any additional bands arising from localized or defect states. Thermogravimetric measurements indicate the temperature stability of the grown GeO 2 nanocrystals. Microscopic analysis coupled with energy dispersive X-ray spectroscopy of the GeO 2 crystals with α-quartz type crystal structure indicates their stability in chemical composition up to a temperature of 400 deg. C. The surface morphology of GeO 2 crystals, however, found to be changing with the increase in temperature.

Electronic structure effects on stability and quantum conductance in 2D gold nanowires

International Nuclear Information System (INIS)

Kashid, Vikas; Shah, Vaishali; Salunke, H. G.

2011-01-01

In this study, we have investigated the stability and conductivity of unsupported, two-dimensional infinite gold nanowires using ab initio density functional theory (DFT). Two-dimensional ribbon-like nanowires with 1–5 rows of gold atoms in the non-periodic direction and with different possible structures have been considered. The nanowires with >2 rows of atoms exhibit dimerization, similar to finite wires, along the non-periodic direction. Our results show that in these zero thickness nanowires, the parallelogram motif is the most stable. A comparison between parallelogram- and rectangular-shaped nanowires of increasing width indicates that zero thickness (111) oriented wires have a higher stability over (100). A detailed analysis of the electronic structure, reveals that the (111) oriented structures show increased delocalization of s and p electrons in addition to a stronger delocalization of the d electrons and hence are the most stable. The density of states show that the nanowires are metallic and conducting except for the double zigzag structure, which is semiconducting. Conductance calculations show transmission for a wide range of energies in all the stable nanowires with more than two rows of atoms. The conductance channels are not purely s and have strong contributions from the d levels, and weak contributions from the p levels.

Correlation of structural stability with functional remodeling of high-density lipoproteins: the importance of being disordered.

Science.gov (United States)

Guha, Madhumita; Gao, Xuan; Jayaraman, Shobini; Gursky, Olga

2008-11-04

High-density lipoproteins (HDLs) are protein-lipid assemblies that remove excess cell cholesterol and prevent atherosclerosis. HDLs are stabilized by kinetic barriers that decelerate protein dissociation and lipoprotein fusion. We propose that similar barriers modulate metabolic remodeling of plasma HDLs; hence, changes in particle composition that destabilize HDLs and accelerate their denaturation may accelerate their metabolic remodeling. To test this notion, we correlate existing reports on HDL-mediated cell cholesterol efflux and esterification, which are obligatory early steps in cholesterol removal, with our kinetic studies of HDL stability. The results support our hypothesis and show that factors accelerating cholesterol efflux and esterification in model discoidal lipoproteins (including reduced protein size, reduced fatty acyl chain length, and/or increased level of cis unsaturation) destabilize lipoproteins and accelerate their fusion and apolipoprotein dissociation. Oxidation studies of plasma spherical HDLs show a similar trend: mild oxidation by Cu(2+) or OCl(-) accelerates cell cholesterol efflux, protein dissociation, and HDL fusion, while extensive oxidation inhibits these reactions. Consequently, moderate destabilization may be beneficial for HDL functions by facilitating insertion of cholesterol and lipophilic enzymes, promoting dissociation of lipid-poor apolipoproteins, which are primary acceptors of cell cholesterol, and thereby accelerating HDL metabolism. Therefore, HDL stability must be delicately balanced to maintain the structural integrity of the lipoprotein assembly and ensure structural specificity necessary for interactions of HDL with its metabolic partners, while facilitating rapid HDL remodeling and turnover at key junctures of cholesterol transport. The inverse correlation between HDL stability and remodeling illustrates the functional importance of structural disorder in macromolecular assemblies stabilized by kinetic barriers.

The study of the structural stability of the spiral laser beams propagation through inhomogeneous phase medium

Science.gov (United States)

Zinchik, Alexander A.; Muzychenko, Yana B.

2015-06-01

This paper discusses theoretical and experimental results of the investigation of light beams that retain their intensity structure during propagation and focusing. Spiral laser beams are a family of laser beams that preserve the structural stability up to scale and rotation with the propagation. Properties of spiral beams are of practical interest for laser technology, medicine and biotechnology. Researchers use a spiral beams for movement and manipulation of microparticles. Functionality laser manipulators can be significantly enhanced by using spiral beams whose intensity remains invariable. It is well known, that these beams has non-zero orbital angular momentum. Spiral beams have a complicated phase distribution in cross section. In this paper we investigate the structural stability of the laser beams having a spiral phase structure by passing them through an inhomogeneous phase medium. Laser beam is passed through a medium is characterized by a random distribution of phase in the range 0..2π. The modeling was performed using VirtualLab 5.0 (manufacturer LightTrans GmbH). Compared the intensity distribution of the spiral and ordinary laser beam after the passage of the inhomogeneous medium. It is shown that the spiral beams exhibit a significantly better structural stability during the passage phase heterogeneous environments than conventional laser beams. The results obtained in the simulation are tested experimentally. Experimental results show good agreement with the theoretical results.

A first-principles study on hydrogen in ZnS: Structure, stability and diffusion

Energy Technology Data Exchange (ETDEWEB)

Sun, Yu [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Changchun 130012 (China); Xie, Sheng-Yi, E-mail: ayikongjian@gmail.com [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Changchun 130012 (China); Meng, Xing, E-mail: mengxingjlu@163.com [College of Physics, Jilin University, Changchun 130012 (China)

2015-02-20

Based on first-principles calculations, the local structures and their energetic stability for impurity hydrogen (H) in semiconductor ZnS are investigated. H is most favorable to dwell in the bond center (BC) site in ZnS. The antibonding site of Zn (AB{sub Zn}) has close energy with BC. The antibonding site of S (AB{sub S}) and interstitial (I{sub H}) site have 0.19 eV and 0.44 eV energy cost, separately. The bond strength with S and Zn determines the stability of impurity H in ZnS. Meanwhile, H is highly moveable in ZnS. At the room temperature, H can overcome the barrier to diffuse through the neighboring BC site. - Highlights: • Local structures for hydrogen in ZnS are investigated. • Impurity level of hydrogen is modulated by bonding with S or Zn. • Hydrogen is highly moveable in ZnS.

First-principles study of structural stability and elastic property of pre-perovskite PbTiO3

International Nuclear Information System (INIS)

Liu Yong; Ni Li-Hong; Ren Zhao-Hui; Xu Gang; Li Xiang; Song Chen-Lu; Han Gao-Rong

2012-01-01

The structural stability and the elastic properties of a novel structure of lead titanate, which is named pre- perovskite PbTiO 3 (PP-PTO) and is constructed with TiO 6 octahedral columns arranged in a one-dimensional manner, are investigated by using first-principles calculations. PP-PTO is energetically unstable compared with conventional perovskite phases, however it is mechanically stable. The equilibrium transition pressures for changing from pre- perovskite to cubic and tetragonal phases are −0.5 GPa and −1.4 GPa, respectively, with first-order characteristics. Further, the differences in elastic properties between pre-perovskite and conventional perovskite phases are discussed for the covalent bonding network, which shows a highly anisotropic character in PP-PTO. This study provides a crucial insight into the structural stabilities of PP-PTO and conventional perovskite. (condensed matter: structural, mechanical, and thermal properties)

Magnet Cycles and Stability Periods of the CMS Structures from 2008 to 2013 as Observed by the Link Alignment System

International Nuclear Information System (INIS)

Arce, P.; Barcala, J.M.; Calvo, E.; Ferrando, A.; Josa, M.I.; Molinero, A.; Navarrete, J.; Oller, J.C.

2015-01-01

In this document Magnet Cycles and Stability Periods of the CMS Experiment are studied with the recorded Alignment Link System data along the 2008 to 2013 years of operation. The motions of the mechanical structures due to the magnetic field forces are studied including an in-depth analysis of the relative distance between the endcap structures and the central Tracker body during the Stability Periods to verify the mechanical stability of the detector during the physics data taking.

Higher order structural effects stabilizing the reverse watson-crick guanine-cytosine base pair in functional RNAs

KAUST Repository

Chawla, Mohit

2013-10-10

The G:C reverse Watson-Crick (W:W trans) base pair, also known as Levitt base pair in the context of tRNAs, is a structurally and functionally important base pair that contributes to tertiary interactions joining distant domains in functional RNA molecules and also participates in metabolite binding in riboswitches. We previously indicated that the isolated G:C W:W trans base pair is a rather unstable geometry, and that dicationic metal binding to the Guanine base or posttranscriptional modification of the Guanine can increase its stability. Herein, we extend our survey and report on other H-bonding interactions that can increase the stability of this base pair. To this aim, we performed a bioinformatics search of the PDB to locate all the occurencies of G:C trans base pairs. Interestingly, 66% of the G:C trans base pairs in the PDB are engaged in additional H-bonding interactions with other bases, the RNA backbone or structured water molecules. High level quantum mechanical calculations on a data set of representative crystal structures were performed to shed light on the structural stability and energetics of the various crystallographic motifs. This analysis was extended to the binding of the preQ1 metabolite to a preQ1-II riboswitch. 2013 The Author(s).

Evaluation of the effect of non-B DNA structures on plasmid integrity via accelerated stability studies.

Science.gov (United States)

Ribeiro, S C; Monteiro, G A; Prazeres, D M F

2009-04-01

Plasmid biopharmaceuticals are a new class of medicines with an enormous potential. Attempts to increase the physical stability of highly purified supercoiled (SC) plasmid DNA in pharmaceutical aqueous solutions have relied on: (i) changing the DNA sequence, (ii) improving manufacturing to reduce deleterious impurities and initial DNA damage, and (iii) controlling the storage medium characteristics. In this work we analyzed the role of secondary structures on the degradation of plasmid molecules. Accelerated stability experiments were performed with SC, open circular (OC) and linear (L) isoforms of three plasmids which differed only in the "single-strandlike" content of their polyadenylation (poly A) signals. We have proved that the presence of more altered or interrupted (non-B) DNA secondary structures did not directly translate into an easier strand scission of the SC isoforms. Rather, those unusual structures imposed a lower degree of SC in the plasmids, leading to an increase in their resistance to thermal degradation. However, this behavior was reversed when the relaxed or L isoforms were tested, in which case the absence of SC rendered the plasmids essentially double-stranded. Overall, this work suggests that plasmid DNA sequence and secondary structures should be taken into account in future investigations of plasmid stability during prolonged storage.

Micromagnetic study of skyrmion stability in confined magnetic structures with perpendicular anisotropy

Science.gov (United States)

Novak, R. L.; Garcia, F.; Novais, E. R. P.; Sinnecker, J. P.; Guimarães, A. P.

2018-04-01

Skyrmions are emerging topological spin structures that are potentially revolutionary for future data storage and spintronics applications. The existence and stability of skyrmions in magnetic materials is usually associated to the presence of the Dzyaloshinskii-Moriya interaction (DMI) in bulk magnets or in magnetic thin films lacking inversion symmetry. While some methods have already been proposed to generate isolated skyrmions in thin films with DMI, a thorough study of the conditions under which the skyrmions will remain stable in order to be manipulated in an integrated spintronic device are still an open problem. The stability of such structures is believed to be a result of ideal combinations of perpendicular magnetic anisotropy (PMA), DMI and the interplay between geometry and magnetostatics. In the present work we show some micromagnetic results supporting previous experimental observations of magnetic skyrmions in spin-valve stacks with a wide range of DMI values. Using micromagnetic simulations of cobalt-based disks, we obtain the magnetic ground state configuration for several values of PMA, DMI and geometric parameters. Skyrmion numbers, corresponding to the topological charge, are calculated in all cases and confirm the occurrence of isolated, stable, axially symmetric skyrmions for several combinations of DMI and anisotropy constant. The stability of the skyrmions in disks is then investigated under magnetic field and spin-polarized current, in finite temperature, highlighting the limits of applicability of these spin textures in spintronic devices.

First principles study of structural stability and site preference in Co3 (W,X

Directory of Open Access Journals (Sweden)

Joshi Sri Raghunath

2014-01-01

Full Text Available Since the discovery [1] of γ′ precipitate (L12 – Co3(Al, W in the Co-Al-W ternary system, there has been an increased interest in Co-based superalloys. Since these alloys have two phase microstructures (γ + γ′ similar to Ni-based superalloys [2], they are viable candidates in high temperature applications, particularly in land-based turbines. The role of alloying on stability of the γ′ phase has been an active area of research. In this study, electronic structure calculations were done to probe the effect of alloying in Co3W with L12 structure. Compositions of type Co3(W,X, (where X/Y = Mn, Fe, Ni, Pt, Cr , Al, Si, V, W, Ta, Ti, Nb, Hf, Zr and Mo were studied. Effect of alloying on equilibrium lattice parameters and ground state energies was used to calculate Vegard's coefficients and site preference related data. The effect of alloying on the stability of the L12 structure vis a vis other geometrically close packed ordered structures was also studied for a range of Co3X compounds. Results suggest that the penchant of element for the W sublattice can be predicted by comparing heats of formation of Co3X in different structures.

Postoperative stability of 2-jaw surgery with clockwise rotation of the occlusal plane.

Science.gov (United States)

Bang, Sung-Moon; Kwon, Yong-Dae; Kim, Su-Jung; Lee, Baek-Soo; Choi, Byung-Joon; Ohe, Joo-Young; Suh, Joon-Ho

2012-03-01

The objective of this study was to investigate the skeletal stability after Le Fort I osteotomy with clockwise rotation and bilateral sagittal split osteotomy. The sample consisted of 31 young Korean patients who were treated with Le Fort I osteotomy with clockwise rotation and setback bilateral sagittal split osteotomy. The lateral cephalographs were obtained before surgery (T1), right after surgery (T2), and on an average of 6.23 months after the operation (T3). The horizontal and vertical relations of landmarks to the reference line and soft tissue changes were evaluated. During the T2 - T1 period, there was superior and anterior movement of the posterior part (PNS, UMD) and advancement and impaction of the anterior part (ANS, A point, UIE) of the maxilla. The mandible was moved superiorly and posteriorly. During the T3 - T2 period, maxillary segment showed counterclockwise rotational relapse. The posterior part was relatively stable especially in the vertical position and the anterior part moved in the posterior and superior directions. Mandibular landmarks showed forward relapse in the horizontal aspect and superior relapse in the vertical aspect. The posterior part (PNS and UMD) showed a significantly higher stability rate (>70%) in the vertical aspect and the anterior part of the maxilla (ANS, A point) demonstrated a significantly lower value (occlusal plane showed stable results especially in the maxillary posterior landmarks. The clockwise rotational movement can be beneficial to increase skeletal stability and facial aesthetics in Asians.

Oxidative stability of mayonnaise and milk drink produced with structured lipids based on fish oil and caprylic acid

DEFF Research Database (Denmark)

Timm Heinrich, Maike; Xu, Xuebing; Nielsen, Nina Skall

2004-01-01

The oxidative stabilities of traditional fish oil (FO), randomized lipids (RFO), or specific structured lipids (SFO) produced from fish oil were compared when incorporated into either milk drink or mayonnaise. Furthermore, the effect of adding the potential antioxidants EDTA (240 mg...... not be ascribed to a single factor, but was most likely influenced by the structure of the lipids and differences in the processes used to produce and purify the lipids. In milk drinks based on SFO, EDTA slightly reduced oxidation, while lactoferrin did not exert a distinct antioxidative effect....../kg) or lactoferrin (1000 mg/kg) to the milk drink based on SFO was investigated. The lipid type significantly affected the oxidative stability of both mayonnaises and milk drinks: The oxidative stability decreased in the order RFO>FO>SFO. The reduced oxidative stability in the SFO food emulsions could...

Structure and Stability of Deflagrations in Porous Energetic Materials

Energy Technology Data Exchange (ETDEWEB)

stephen B. Margolis; Forman A. Williams

1999-03-01

Theoretical two-phase-flow analyses have recently been developed to describe the structure and stability of multi-phase deflagrations in porous energetic materials, in both confined and unconfined geometries. The results of these studies are reviewed, with an emphasis on the fundamental differences that emerge with respect to the two types of geometries. In particular, pressure gradients are usually negligible in unconfined systems, whereas the confined problem is generally characterized by a significant gas-phase pressure difference, or overpressure, between the burned and unburned regions. The latter leads to a strong convective influence on the burning rate arising from the pressure-driven permeation of hot gases into the solid/gas region and the consequent preheating of the unburned material. It is also shown how asymptotic models that are suitable for analyzing stability may be derived based on the largeness of an overall activation-energy parameter. From an analysis of such models, it is shown that the effects of porosity and two-phase flow are generally destabilizing, suggesting that degraded propellants, which exhibit greater porosity than their pristine counterparts, may be more readily subject to combustion instability and nonsteady deflagration.

Stability of cosmic structures in scalar-tensor theories of gravity

Energy Technology Data Exchange (ETDEWEB)

Panotopoulos, Grigoris [Universidade de Lisboa, Centro Multidisciplinar de Astrofisica, Instituto Superior Tecnico, Lisbon (Portugal); Rincon, Angel [Pontificia Universidad Catolica de Chile, Instituto de Fisica, Santiago (Chile)

2018-01-15

In the present work we study a concrete model of scalar-tensor theory of gravity characterized by two free parameters, and we compare its predictions to observational data and constraints coming from supernovae, solar system tests and the stability of cosmic structures. First an exact analytical solution at the background level is obtained. Using that solution the expression for the turnaround radius is computed. Finally we show graphically how current data and limits put bounds on the parameters of the model at hand. (orig.)

Covalent-bond stabilization of the Si(111)-(3 1 -1 1)-Pb structure

DEFF Research Database (Denmark)

Kumpf, C.; Nielsen, M.; Feidenhans'l, R.

2001-01-01

by codeposition of Pb and Sn. Our surface X-ray diffraction measurements prove that the alloy structure is closely related to the low-temperature reconstruction. The interatomic distances reveal the nature of the chemical bonding in the surface layer and provide insight into the mechanism stabilizing...

Xeroradiograph of the superior aerial structures

International Nuclear Information System (INIS)

Abreu Neto, B.P.; Broccoli Neto, J.; Forni, S.S.; Abilio, S.O.; Uemura, L.

1987-01-01

The tecnical procedures, image characteristics and main indications of the method are discussed and the application of the xeroradiography in the cervical region evaluation, including the pharyngeal and laryngeal structures are presented. (l.M.J.) [pt

Structural stability analysis considerations in fusion reactor plasma chamber design

International Nuclear Information System (INIS)

Delaney, M.J.; Cramer, B.A.

1978-01-01

This paper presents an approach to analyzing a toroidal plasma chamber for the prevention of both static and dynamic buckling. Results of stability analyses performed for the doublet shaped plasma chamber of the General Atomic 3.8 meter radius TNS ignition test reactor are presented. Load conditions are the static external atmospheric pressure load and the dynamic plasma disruption pulse load. Methods for analysis of plasma chamber structures are presented for both types of load. Analysis for static buckling is based on idealizing the plasma chamber into standard structural shapes and applying classical cylinder and circular torus buckling equations. Results are verified using the Buckling of Shells of Revolution (BOSOR4) finite difference computer code. Analysis for the dynamic loading is based on a pulse buckling analysis method for circular cylinders

Dissecting the structure of surface stabilizer on the dispersion of inorganic nanoparticles in aqueous medium

Energy Technology Data Exchange (ETDEWEB)

Ding, Yong; Yu, Zongzhi; Zheng, Junping, E-mail: jpzheng@tju.edu.cn [Tianjin University, Tianjin Key Laboratory of Composite and Functional Materials, School of Materials Science and Engineering (China)

2017-03-15

Dispersing inorganic nanoparticles in aqueous solutions is a key requirement for a great variety of products and processes, including carriers in drug delivery or fillers in polymers. To be highly functional in the final product, inorganic particles are required to be finely dispersed in nanoscale. In this study, silica was selected as a representative inorganic particle. Surface stabilizers with different chain length and charged group were designed to reveal the influence of electrostatic and van der Waals forces between silica and stabilizer on the dispersion of silica particles in aqueous medium. Results showed surface stabilizer with longer alkyl chain and charged group exerted best ability to deaggregate silica, leading to a hydrodynamic size of 51.1 nm. Surface stabilizer designing with rational structure is a promising solution for deagglomerating and reducing process time and energy. Giving the designability and adaptability of surface stabilizer, this method is of potential for dispersion of other inorganic nanoparticles.

Dissecting the structure of surface stabilizer on the dispersion of inorganic nanoparticles in aqueous medium

Science.gov (United States)

Ding, Yong; Yu, Zongzhi; Zheng, Junping

2017-03-01

Dispersing inorganic nanoparticles in aqueous solutions is a key requirement for a great variety of products and processes, including carriers in drug delivery or fillers in polymers. To be highly functional in the final product, inorganic particles are required to be finely dispersed in nanoscale. In this study, silica was selected as a representative inorganic particle. Surface stabilizers with different chain length and charged group were designed to reveal the influence of electrostatic and van der Waals forces between silica and stabilizer on the dispersion of silica particles in aqueous medium. Results showed surface stabilizer with longer alkyl chain and charged group exerted best ability to deaggregate silica, leading to a hydrodynamic size of 51.1 nm. Surface stabilizer designing with rational structure is a promising solution for deagglomerating and reducing process time and energy. Giving the designability and adaptability of surface stabilizer, this method is of potential for dispersion of other inorganic nanoparticles.

On the Linear Stability of the Fifth-Order WENO Discretization

KAUST Repository

Motamed, Mohammad; Macdonald, Colin B.; Ruuth, Steven J.

2010-01-01

, the fifth-order extrapolated BDF scheme gave superior results in practice to high-order Runge-Kutta methods whose stability domain includes the imaginary axis. Numerical tests are presented which confirm the analysis. © Springer Science+Business Media, LLC

Myofibroblastic tumor associated to superior vena cava syndrome

International Nuclear Information System (INIS)

Ortega Jaramillo, Hector; Durango Gutierrez, Luisa Fernanda; Perez Figueroa, Maria del Pilar

2005-01-01

Inflammatory myofibroblastic tumor (IMT) is an uncommon pathological entity of unknown cause, composed of differentiated myofibroblastic cells accompanied by plasma cells, lymphocytes and eosinophils, which involve extrapulmonary and pulmonary tissues. IMT has an unpredictable clinical course, rarely undergoes malignant transformation. Local invasion and involvement of the mediastinum and hiliar structures are unusual manifestations; however; we reports a case of superior vena cava syndrome and IMT

Structural stabilities and electronic properties of Mg28-nAln clusters: A first-principles study

Directory of Open Access Journals (Sweden)

Bao-Juan Lu

2017-09-01

Full Text Available In this paper, we have constructed the alloy configurations of Mg28-nAln by replacing atoms at various possible positions, starting from the stable structures of Mg28 and Al28 clusters. According to the symmetry of the cluster structure, the isomers of these initial structures have been screened with the congruence check, which would reduce computational hours and improve efficiency. Using the first-principles method, the structural evolution, mixing behavior and electronic properties of Mg28-nAln clusters are investigated for all compositions. We conclude that Al atoms prefer to reside in the central positions of Mg−Al clusters and Mg atoms tend to occupy the peripheral location. The negative mixing enthalpies imply the stabilities of these Mg-Al clusters and thus possible applications in catalysis and hydrogen storage materials. Among Mg28-nAln clusters, Mg24Al4, Mg21Al7, Mg14Al14, Mg26Al2 and Mg27Al1 present relatively high thermodynamic stabilities, and the electronic properties of these stable structures are discussed with the charge distributions around the Fermi level.

Analysis on complex structure stability under different bar angle with BIM technology

Directory of Open Access Journals (Sweden)

Wang Xiongjue

2016-03-01

Full Text Available Sun Valley, the landmark building of World Expo in Shanghai, which has free surface with single-layer reticulated shell structure, is a typical complex structure. CAD/CAM integrated information system to design is used for the complex structure; however, it is a very rigorous process to be used widely. The relevant technology of the Sun Valley is not open to the public at present, so we try to use BIM technology to model the Sun Valley, including architecture modelling and structure analysis. By analysis of the Sun Valley structure using this method, it is proved that the problems in modelling may be solved by writing some script codes in Rhino software and the stability of the model can also be analyzed. The new approach is viable and effective in combination with different softwares such as Rhino, Revit, and Midas in solution of the complex shaped surfaces’ structure for modelling and calculation.

Tratamento da síndrome da veia cava superior Treatment of superior vena cava syndrome

Directory of Open Access Journals (Sweden)

Luís Marcelo Inaco Cirino

2005-12-01

Full Text Available A veia cava superior é formada pela união das duas veias inominadas, direita e esquerda, e localiza-se no mediastino médio, à direita da artéria aorta e anteriormente à traquéia. A síndrome da veia cava superior representa um conjunto de sinais (dilatação das veias do pescoço, pletora facial, edema de membros superiores, cianose e sintomas (cefaléia, dispnéia, tosse, edema de membro superior, ortopnéia e disfagia decorrentes da obstrução do fluxo sanguíneo através da veia cava superior em direção ao átrio direito. A obstrução pode ser causada por compressão extrínseca, invasão tumoral, trombose ou por dificuldade do retorno venoso ao coração secundária a doenças intra-atriais ou intraluminais. Aproximadamente 73% a 97% dos casos de síndrome da veia cava superior ocorrem durante a evolução de processos malignos intratorácicos. A maioria dos pacientes com a síndrome secundária a neoplasias malignas é tratada sem necessidade de cirurgia, através de radioterapia ou quimioterapia, ou através da colocação de stents endoluminais. Quando a síndrome é de etiologia benigna, o tratamento é feito através de medidas clínicas (anticoagulação, elevação da cabeça, etc. ou, em casos refratários, através de angioplastia, colocação de stents endoluminais e cirurgia.The superior vena cava is formed by the union of the right and left brachiocephalic veins. It is located in the middle mediastinum, to the right of the aorta and anterior to the trachea. Superior vena cava syndrome consists of a group of signs (dilation of the veins in the neck, facial swelling, edema of the upper limbs, and cyanosis and symptoms (headache, dyspnea, cough, orthopnea and dysphagia caused by the obstruction of blood flow through the superior vena cava to the right atrium. This obstruction can be caused by extrinsic compression, tumor invasion or thrombosis. Such obstruction may also occur as a result of insufficient venous return

Assessment of Slope Stability and Interference of Structures Considering Seismity in Complex Engineering-Geological Conditions Using the Method of Finite Elements

International Nuclear Information System (INIS)

Menabdishvili, Papuna; Eremadze, Nelly

2008-01-01

There is elaborated the calculation model of slope deformation mode stability and the methodic of calculation considering the interference of structures to be built on it using the method of finite elements. There is examined the task of slope stability using the soil physically nonlinear finite element considering the seismicity 8. The deformation mode and field of coefficients of stability are obtained and slope supposed sliding curve is determined. The elaborated calculation methodic allows to determine the slope deformation mode, stability and select the optimum version of structure foundation at any slant and composition of slope layers

Protein secondary structure and stability determined by combining exoproteolysis and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.

Science.gov (United States)

Villanueva, Josep; Villegas, Virtudes; Querol, Enrique; Avilés, Francesc X; Serrano, Luis

2002-09-01

In the post-genomic era, several projects focused on the massive experimental resolution of the three-dimensional structures of all the proteins of different organisms have been initiated. Simultaneously, significant progress has been made in the ab initio prediction of protein three-dimensional structure. One of the keys to the success of such a prediction is the use of local information (i.e. secondary structure). Here we describe a new limited proteolysis methodology, based on the use of unspecific exoproteases coupled with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS), to map quickly secondary structure elements of a protein from both ends, the N- and C-termini. We show that the proteolytic patterns (mass spectra series) obtained can be interpreted in the light of the conformation and local stability of the analyzed proteins, a direct correlation being observed between the predicted and the experimentally derived protein secondary structure. Further, this methodology can be easily applied to check rapidly the folding state of a protein and characterize mutational effects on protein conformation and stability. Moreover, given global stability information, this methodology allows one to locate the protein regions of increased or decreased conformational stability. All of this can be done with a small fraction of the amount of protein required by most of the other methods for conformational analysis. Thus limited exoproteolysis, together with MALDI-TOF MS, can be a useful tool to achieve quickly the elucidation of protein structure and stability. Copyright 2002 John Wiley & Sons, Ltd.

Kompetisi Stasiun Televisi Swasta Nasional Berdasarkan Superiority Direction dan Superiority Magnitude

Directory of Open Access Journals (Sweden)

Anastasia Winanti Riesardhy

2013-11-01

Full Text Available Abstract: Uses and gratification theory is employed particularly as the teoritical frame of the research to examine the extent to which ten national television stations compete to satisfy Indonesian audiences. In particular, two main concepts of that theory namely audiences “gratification sought and gratifications obtained, are broken down and counted based on superiority direction and superiority magnitude. In general, the findings show that those televisions have satisfied their audiences, although in terms of gratifications to dispersal motives, they haven’t satisfied as much as it was expected. Significant competition occurs between TRANSTV and TRANS7, RCTI and SCTV, and TVONE and METROTV. TVONE become the most satisfiyng television station. Abstrak: Teori Uses & Gratification menjadi dasar penelitian ini untuk mengukur bagaimana kompetisi yang terjadi di antara sepuluh stasiun televisi yang bersiaran secara nasional di Indonesia. Aplikasi dari teori tersebut dimunculkan dalam konsep kepuasan yang diharapkan dan kepuasan yang diperoleh ketika menonton acara televisi dan didasarkan pada penghitungan superiority direction dan superiority magnitude. Sepuluh stasiun televisi yang diteliti telah dapat memuaskan audiensnya, meskipun untuk kepuasan atas motif pengalihan masih belum dapat melampaui kepuasan yang diharapkan. Kompetisi yang signifikan terjadi antara TRANSTV dengan TRANS7, RCTI dengan SCTV serta TVONE dengan METROTV. TVONE menjadi stasiun televisi yang menduduki peringkat pertama dalam memberikan kepuasan tertinggi kepada audiens.

Correlating the Impact of Well-Defined Oligosaccharide Structures on Physical Stability Profiles of IgG1-Fc Glycoforms.

Science.gov (United States)

More, Apurva S; Toprani, Vishal M; Okbazghi, Solomon Z; Kim, Jae H; Joshi, Sangeeta B; Middaugh, C Russell; Tolbert, Thomas J; Volkin, David B

2016-02-01

As part of a series of articles in this special issue describing 4 well-defined IgG1-Fc glycoforms as a model system for biosimilarity analysis (high mannose-Fc, Man5-Fc, GlcNAc-Fc and N297Q-Fc aglycosylated), the focus of this work is comparisons of their physical properties. A trend of decreasing apparent solubility (thermodynamic activity) by polyethylene glycol precipitation (pH 4.5, 6.0) and lower conformational stability by differential scanning calorimetry (pH 4.5) was observed with reducing size of the N297-linked oligosaccharide structures. Using multiple high-throughput biophysical techniques, the physical stability of the Fc glycoproteins was then measured in 2 formulations (NaCl and sucrose) across a wide range of temperatures (10°C-90°C) and pH (4.0-7.5) conditions. The data sets were used to construct 3-index empirical phase diagrams and radar charts to visualize the regions of protein structural stability. Each glycoform showed improved stability in the sucrose (vs. salt) formulation. The HM-Fc and Man5-Fc displayed the highest relative stability, followed by GlcNAc-Fc, with N297Q-Fc being the least stable. Thus, the overall physical stability profiles of the 4 IgG1-Fc glycoforms also show a correlation with oligosaccharide structure. These data sets are used to develop a mathematical model for biosimilarity analysis (as described in a companion article by Kim et al. in this issue). Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Histological evaluation of levator palpebralis superior muscle in patients with congenital blepharoptosis

Directory of Open Access Journals (Sweden)

Sevda Söker

2011-03-01

Full Text Available The aim of this study was to examine levator palpebralis superior muscle histologically in patients with congenital blepharoptosis and to investigate the relationship between these findings and age, sex and degree of blefaroptosis in this patient group.Materials and methods: Levator muscle of 13 patients with congenital ptosis, who had applied to Dicle University Medical Faculty Ophthalmology Clinic and had undergone levator palpebralis superior muscle resection between january 2009-january 2010, has been examined histopathologically in Histology and Embriology Deparment. During preoperative period, ptosis amount, levator function (LF, tear functions, Bell’s phenomenon and jaw-winking phenomenon were evaluated. All patients underwent resection of levator palpebralis superior muscle. Received postoperative levator muscle was examined by light microscopy.Results: The average age of 9 (69.2% male and 4 (30.8% female cases were 10.61 ± 4.77 (4- 19 years. In histological examination, the quality and quantity of the levator muscle fibrils have been assessed. There was no relationship detected between histological features of levator palpebralis superior muscle and patient’s age and gender (p>0.05. Patients with weak levator palpebralis superior muscle were detected to have fatty degeneration histologically. The higher the levator palpebralis superior muscle function revealed decreased fatty degeneration and increased skeletal muscle fibrils.Conclusion: More ultrastructural studies in larger populations are needed to support the relationship between structure and function of levator palpebralis superior muscle in patients with congenital blepharoptosis.

Thermodynamic Stability of Structure H Hydrates Based on the Molecular Properties of Large Guest Molecules

OpenAIRE

Tezuka, Kyoichi; Taguchi, Tatsuhiko; Alavi, Saman; Sum, Amadeu K.; Ohmura, Ryo

2012-01-01

This paper report analyses of thermodynamic stability of structure-H clathrate hydrates formed with methane and large guest molecules in terms of their gas phase molecular sizes and molar masses for the selection of a large guest molecule providing better hydrate stability. We investigated the correlation among the gas phase molecular sizes, the molar masses of large molecule guest substances, and the equilibrium pressures. The results suggest that there exists a molecular-size value for the ...

Polyetherimide/bucky gels nanocomposites with superior conductivity and thermal stability

KAUST Repository

Chen, Ye

2013-08-14

Polyetherimide (PEI) nanocomposites comprising bucky gels of industrial-grade multiwalled carbon nanotubes (MWCNTs) and ionic liquid (IL, 1-butyl-3-methyl imidazolium hexafluorophosphate ([BMIM][PF6])) were prepared. The processing framework for this nanocomposite is simple, reproducible, and easily scalable. The strong interaction between IL and MWCNTs caused the latter to uniformly disperse in the PEI matrix while IL flowed into the gaps between the nanotubes\\' walls. The nanocomposite exhibited an enhanced conductivity of 2.01 × 104 Ω·cm volume resistivity at room temperature; the value decreased dramatically by 12 orders of magnitude, compared to pristine PEI. The IL free ions and MWCNTs networks provided excellent channels for electron transfer. PEI/bucky gels nanocomposites also showed improved thermal stability and high tensile strength. Other than having antiwear properties, this material can have numerous applications in the aerospace and electronics industries. Moreover, our work presents a "green" method toward modified nanocomposites industrial production as IL is environmentally safe and is easily recyclable. © 2013 American Chemical Society.

Polyetherimide/bucky gels nanocomposites with superior conductivity and thermal stability

KAUST Repository

Chen, Ye; Tao, Jing; Deng, Lin; LI, LIANG; Li., Jun; Yang, Yang; Khashab, Niveen M.

2013-01-01

Polyetherimide (PEI) nanocomposites comprising bucky gels of industrial-grade multiwalled carbon nanotubes (MWCNTs) and ionic liquid (IL, 1-butyl-3-methyl imidazolium hexafluorophosphate ([BMIM][PF6])) were prepared. The processing framework for this nanocomposite is simple, reproducible, and easily scalable. The strong interaction between IL and MWCNTs caused the latter to uniformly disperse in the PEI matrix while IL flowed into the gaps between the nanotubes' walls. The nanocomposite exhibited an enhanced conductivity of 2.01 × 104 Ω·cm volume resistivity at room temperature; the value decreased dramatically by 12 orders of magnitude, compared to pristine PEI. The IL free ions and MWCNTs networks provided excellent channels for electron transfer. PEI/bucky gels nanocomposites also showed improved thermal stability and high tensile strength. Other than having antiwear properties, this material can have numerous applications in the aerospace and electronics industries. Moreover, our work presents a "green" method toward modified nanocomposites industrial production as IL is environmentally safe and is easily recyclable. © 2013 American Chemical Society.

Superior photoelectrochemical properties of ZnO nanorods/poly(3-hexylthiophene) hybrid photoanodes

Science.gov (United States)

Majumder, T.; Hmar, J. J. L.; Dhar, S.; Mondal, S. P.

2017-06-01

Photoelectrochemical properties of ZnO nanorods (ZnO NRs) and poly(3-hexylthiophene) (P3HT) polymer hybrid photoanodes have been studied. The hybrid photoanodes demonstrated higher photoconversion efficiency, incident photon to current conversion efficiency (IPCE) and lower interfacial resistance compared to pristine ZnO nanorods and P3HT based electrodes. The origin of superior photoelectrochemical properties of ZnO/P3HT photoanodes has been explained using carrier transport mechanism at semiconductor/electrolyte junction. The stability of ZnO NRs/P3HT photoanode has been demonstrated.

Information Superiority through Data Warehousing

National Research Council Canada - National Science Library

Warner, Neil

2001-01-01

.... A precursor to a knowledge edge is Information Superiority. Within most current Command Support Systems minimal integration and fusion of data is undertaken to provide the basis of information superiority...

Synthesis and electrochemical properties of porous double-shelled Mn2O3 hollow microspheres as a superior anode material for lithium ion batteries

International Nuclear Information System (INIS)

Qiao, Yu; Yu, Yan; Jin, Yi; Guan, Yi-Biao; Chen, Chun-Hua

2014-01-01

Highlights: • Double-shelled Mn 2 O 3 hollow microspheres are prepared by a multi-step. • synthesis procedure. • Solid, hollow and yolk-structured Mn 2 O 3 spheres are prepared for comparison. • The double-shelled hollow Mn 2 O 3 is superior in electrochemical properties. - Abstract: By means of a specially designed multi-step synthesis procedure involving steps of precipitation, controlled oxidation, selective etching and calcination, porous double-shelled Mn 2 O 3 hollow microspheres are synthesized. Solid, hollow and yolk-structured Mn 2 O 3 are also similarly synthesized for comparison. X-ray diffraction, scanning and transmission electron microscopies, IR spectroscopy, thermogravimetry, and Brunauer-Emmett-Teller measurements are employed to investigate their structures and compositions. Galvanostatic cell cycling and impedance spectroscopy are used to characterize the electrochemical properties of Mn 2 O 3 /Li cells. The results show that the hierarchical hollow structured (double-shelled, hollow and yolk-structured) Mn 2 O 3 anode materials deliver higher reversible capacities and excellent cycling stabilities than the solid Mn 2 O 3 . Moreover, among the three hierarchical hollow structured samples, the double shelled sample possesses the best cycling performance, especially at a high current density

Dynamical stability in fluid-structure interaction

International Nuclear Information System (INIS)

Planchard, J.; Thomas, B.

1991-01-01

The aim of the paper is to investigate the dynamical stability of a group of elastic tubes placed in a cross-flow which obeys to the Navier-Stokes equations. The stability of this coupled system is deduced from the study of a quadratic eigenvalue problem arising in the linearized equations. The instability occurs when the real part of one of the eigenvalues becomes positive; the steady state is then replaced by a time-periodic state which is stable (Hopf bifurcation phenomenon). Some numerical methods for solving the quadratic eigenvalue problem are described [fr

The Grading Entropy-based Criteria for Structural Stability of Granular Materials and Filters

Directory of Open Access Journals (Sweden)

Janos Lőrincz

2015-05-01

Full Text Available This paper deals with three grading entropy-based rules that describe different soil structure stability phenomena: an internal stability rule, a filtering rule and a segregation rule. These rules are elaborated on the basis of a large amount of laboratory testing and from existing knowledge in the field. Use is made of the theory of grading entropy to derive parameters which incorporate all of the information of the grading curve into a pair of entropy-based parameters that allow soils with common behaviours to be grouped into domains on an entropy diagram. Applications of the derived entropy-based rules are presented by examining the reason of a dam failure, by testing against the existing filter rules from the literature, and by giving some examples for the design of non-segregating grading curves (discrete particle size distributions by dry weight. A physical basis for the internal stability rule is established, wherein the higher values of base entropy required for granular stability are shown to reflect the closeness between the mean and maximum grain diameters, which explains how there are sufficient coarser grains to achieve a stable grain skeleton.

Enzyme stability, thermodynamics and secondary structures of α-amylase as probed by the CD spectroscopy.

Science.gov (United States)

Kikani, B A; Singh, S P

2015-11-01

An amylase of a thermophilic bacterium, Bacillus sp. TSSC-3 (GenBank Number, EU710557) isolated from the Tulsi Shyam hot spring reservoir (Gujarat, India) was purified to the homogeneity in a single step on phenyl sepharose 6FF. The molecular weight of the enzyme was 25kD, while the temperature and pH optima for the enzyme catalysis were 80°C and 7, respectively. The purified enzyme was highly thermostable with broad pH stability and displayed remarkable resistance against surfactants, chelators, urea, guanidine HCl and various solvents as well. The stability and changes in the secondary structure of the enzyme under various extreme conditions were determined by the circular dichroism (CD) spectroscopy. The stability trends and the changes in the α-helices and β-sheets were analyzed by Mean Residual Ellipticity (MRE) and K2D3. The CD data confirmed the structural stability of the enzyme under various harsh conditions, yet it indicated reduced α-helix content and increased β-sheets upon denaturation. The thermodynamic parameters; deactivation rate constant, half-life, changes in entropy, enthalpy, activation energy and Gibb's free energy indicated that the enzyme-substrate reactions were highly stable. The overall profile of the enzyme: high thermostability, alkalitolerance, calcium independent nature, dextrose equivalent values and resistance against chemical denaturants, solvents and surfactants suggest its commercial applications. Copyright © 2015 Elsevier B.V. All rights reserved.

Stability, electrochemical behaviors and electronic structures of iron hydroxyl-phosphate

International Nuclear Information System (INIS)

Wang Zhongli; Sun Shaorui; Li Fan; Chen Ge; Xia Dingguo; Zhao Ting; Chu Wangsheng; Wu Ziyu

2010-01-01

Iron hydroxyl-phosphate with a uniform spherical particle size of around 1 μm, a compound of the type Fe 2-y □ y (PO 4 )(OH) 3-3y (H 2 O) 3y-2 (where □ represents a vacancy), has been synthesized by hydrothermal methods. The particles are composed of spheres of diameter -1 and 120 mAh g -1 at current densities of 170 mA g -1 and 680 mA g -1 , respectively. The stability of crystal structure of this material was studied by TGA and XRD which show that the material remains stable at least up to the temperature 200 deg. C. Investigation of the electronic structure of the iron hydroxyl-phosphate by GGA + U calculation has indicated that it has a better electronic conductivity than LiFePO 4 .

Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY

International Nuclear Information System (INIS)

Shi, Jade; Schwantes, Christian; Bilsel, Osman

2017-01-01

The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. We report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structure of the excited state ensemble. The resulting prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. We then predict incisive single molecule FRET experiments, using these results, as a means of model validation. Our study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.

Development of a Cloud Computing-Based Pier Type Port Structure Stability Evaluation Platform Using Fiber Bragg Grating Sensors.

Science.gov (United States)

Jo, Byung Wan; Jo, Jun Ho; Khan, Rana Muhammad Asad; Kim, Jung Hoon; Lee, Yun Sung

2018-05-23

Structure Health Monitoring is a topic of great interest in port structures due to the ageing of structures and the limitations of evaluating structures. This paper presents a cloud computing-based stability evaluation platform for a pier type port structure using Fiber Bragg Grating (FBG) sensors in a system consisting of a FBG strain sensor, FBG displacement gauge, FBG angle meter, gateway, and cloud computing-based web server. The sensors were installed on core components of the structure and measurements were taken to evaluate the structures. The measurement values were transmitted to the web server via the gateway to analyze and visualize them. All data were analyzed and visualized in the web server to evaluate the structure based on the safety evaluation index (SEI). The stability evaluation platform for pier type port structures involves the efficient monitoring of the structures which can be carried out easily anytime and anywhere by converging new technologies such as cloud computing and FBG sensors. In addition, the platform has been successfully implemented at “Maryang Harbor” situated in Maryang-Meyon of Korea to test its durability.

Mg-aminoclay as stabilizer for synthesizing highly stable and reactive nZVI for decontamination

DEFF Research Database (Denmark)

Hwang, Yuhoon; Lee, Young-Chul; Mines, Paul D.

Despite the large surface area and superior reactivity of nZVI, its limited stability is a major obstacle for in situ subsurface remediation. In this study, Mg-aminoclay (MgAC) was applied for the first time as a stabilizer in nZVI synthesis. With increased doses of Mg-aminoclay, nZVI particle gr...

Alkaline hydrogen peroxide treatment for TiO_2 nanoparticles with superior water-dispersibility and visible-light photocatalytic activity

International Nuclear Information System (INIS)

Wu, Chung-Yi; Tu, Kuan-Ju; Lo, Yu-Shiu; Pang, Yean Ling; Wu, Chien-Hou

2016-01-01

Alkaline hydrogen peroxide treatment was proposed as a simple and green way to improve the performance of commercial TiO_2 powder for water-dispersibility and visible-light photocatalytic activity on the degradation of dye pollutants. The performance of treated TiO_2 was evaluated as a function of NaOH concentration, H_2O_2 concentration, and treatment time. The optimal conditions were determined to be 24 h in 100 mM H_2O_2 and 8 M NaOH. The treated samples were characterized by Raman spectroscopy, high-resolution transmission electron microscopy (HR-TEM), X-ray photoelectron spectroscopy (XPS), dynamic light scattering (DLS), Fourier transform infrared spectroscopy (FTIR), and ultraviolet–visible spectrophotometry. The analysis revealed that the crystal structure, morphology, and absorption band gap were retained, but the surface of the treated TiO_2 was dramatically changed. The treated TiO_2 was highly dispersible with a uniform hydrodynamic size of 41 ± 12 nm and stable over months in water at pH 3 without any stabilizing ligand and could significantly enhance the visible-light photodegradation of dye pollutants. The superior performance might be attributed to the formation of abundant surface hydroxyl groups. This treatment paves the way for developing water-dispersible TiO_2 with superior visible-light induced photocatalytic degradation of dye pollutants without any complicated and expensive surface modification. - Highlights: • Alkaline hydrogen peroxide is proposed to treat commercial TiO_2 powder. • The treated TiO_2 powder exhibits superior water-dispersibility with a uniform size distribution. • The treated TiO_2 powder can significantly enhance the visible-light photodegradation of dyes.

Evaluation of liquid fragility and thermal stability of Al-based metallic glasses by equivalent structure parameter

International Nuclear Information System (INIS)

Li Xuelian; Bian Xiufang; Hu Lina

2010-01-01

Based on extended Ideal-Atomic-Packing model, we propose an equivalent structure parameter '6x+11y' to evaluate fragility and thermal stability of Al-TM-RE metallic glasses, where x and y are composition concentrations of transition metal (TM) and rare earth (RE), respectively. Experimental results show that glass forming compositions with '6x+11y' near 100 have the smallest fragility parameter and best structure stability. In addition, '6x+11y' parameter has a positive relationship with onset-crystallization temperature, T x . Al-TM-RE glassy alloys with (6x+11y)≤100 undergo primary crystallization of fcc-Al nanocrystals, while alloys with (6x+11y)>100 exhibit nanoglassy or glassy crystallization behavior.

Solvent Stability Study with Thermodynamic Analysis and Superior Biocatalytic Activity of Burkholderia cepacia Lipase Immobilized on Biocompatible Hybrid Matrix of Poly(vinyl alcohol) and Hypromellose.

Science.gov (United States)

Badgujar, Kirtikumar C; Bhanage, Bhalchandra M

2014-12-26

In the present study, we have synthesized a biocompatible hybrid carrier of hypromellose (HY) and poly(vinyl alcohol) (PVA) for immobilization of Burkholderia cepacia lipase (BCL). The immobilized biocatalyst HY:PVA:BCL was subjected to determination of half-life time (τ) and deactivation rate constant (K(D)) in various organic solvents. Biocatalyst showed higher τ-value in a nonpolar solvent like cyclohexane (822 h) as compared to that of a polar solvent such as acetone (347 h), which signifies better compatibility of biocatalyst in the nonpolar solvents. Furthermore, the K(D)-value was found to be less in cyclohexane (0.843 × 10(-3)) as compared to acetone (1.997 × 10(-3)), indicating better stability in the nonpolar solvents. Immobilized-BCL (35 mg) was sufficient to achieve 99% conversion of phenethyl butyrate (natural constituent of essential oils and has wide industrial applications) using phenethyl alcohol (2 mmol) and vinyl butyrate (6 mmol) at 44 °C in 3 h. The activation energy (E(a)) was found to be lower for immobilized-BCL than crude-BCL, indicating better catalytic efficiency of immobilized lipase BCL. The immobilized-BCL reported 6-fold superior biocatalytic activity and 8 times recyclability as compared to crude-BCL. Improved catalytic activity of immobilized enzyme in nonpolar media was also supported by thermodynamic activation parameters such as enthalpy (ΔH(⧧)), entropy (ΔS(⧧)) and Gibb's free energy (ΔG(⧧)) study, which showed that phenethyl butyrate synthesis catalyzed by immobilized-BCL was feasible as compared to crude-BCL. The present work explains a thermodynamic investigation and superior biocatalytic activity for phenethyl butyrate synthesis using biocompatible immobilized HY:PVA:BCL in nonaqueous media for the first time.

BOMB STABILIZING STRUCTURE

Science.gov (United States)

Kelley, J.L.; Runyan, C.E.

1963-12-10

A stabilizinig structure capable of minimizing deviations of a falling body such as a bomb from desired trajectory is described. The structure comprises a fin or shroud arrangement of double-wedge configuration, the feeding portion being of narrow wedge shape and the after portion being of a wider wedge shape. The structure provides a force component for keeping the body on essentially desired trajectory throughout its fall. (AEC)

Structure, stability, and thermodynamics of a short intermolecular purine-purine-pyrimidine triple helix

International Nuclear Information System (INIS)

Pilch, D.S.; Shafer, R.H.; Levenson, C.

1991-01-01

The authors have investigated the structure and physical chemistry of the d(C 3 T 4 C 3 )·2[d(G 3 A 4 G 3 )] triple helix by polyacrylamide gel electrophoresis (PAGE), 1 H NMR, and ultraviolet (UV) absorption spectroscopy. The triplex was stabilized with MgCl 2 at neutral pH. PAGE studies verify the stoichiometry of the strands comprising the triplex and indicate that the orientation of the third strand in purine-purine-pyrimidine (pur-pur-pyr) triplexes is antiparallel with respect to the purine strand of the underlying duplex. Imino proton NMR spectra provide evidence for the existence of new purine-purine (pur·pur) hydrogen bonds, in addition to those of the Watson-Crick (W-C) base pairs, in the triplex structure. These new hydrogen bonds are likely to correspond to the interaction between third-strand guanine NH1 imino protons and the N7 atoms of guanine residues on the puring strand of the underlying duplex. Thermal denaturation of the triplex proceeds to single strands in one step, under the conditions used in this study. Binding of the third strand appears to enhance the thermal stability of the duplex by 1-3 C, depending on the DNA concentration. This marked enhancement in stability, coupled with the lack of an acidic pH requirement, suggests that pur-pur-pyr triplexes are appealing choices for use in applications involving oligonucleotide targeting of duplex DNA in vitro and in vivo

Structurally stabilized organosilane-templated thermostable mesoporous titania.

Science.gov (United States)

Amoli, Vipin; Tiwari, Rashmi; Dutta, Arghya; Bhaumik, Asim; Sinha, Anil Kumar

2014-01-13

Structurally thermostable mesoporous anatase TiO2 (m-TiO2) nanoparticles, uniquely decorated with atomically dispersed SiO2, is reported for the first time. The inorganic Si portion of the novel organosilane template, used as a mesopores-directing agent, is found to be incorporated in the pore walls of the titania aggregates, mainly as isolated sites. This is evident by transmission electron microscopy and high-angle annular dark field scanning transmission electron microscopy, combined with electron dispersive X-ray spectroscopy. This type of unique structure provides exceptional stability to this new material against thermal collapse of the mesoporous structure, which is reflected in its high surface area (the highest known for anatase titania), even after high-temperature (550 °C) calcination. Control of crystallite size, pore diameter, and surface area is achieved by varying the molar ratios of the titanium precursor and the template during synthesis. These mesoporous materials retain their porosity and high surface area after template removal and further NaOH/HCl treatment to remove silica. We investigate their performance for dye-sensitized solar cells (DSSCs) with bilayer TiO2 electrodes, which are prepared by applying a coating of m-TiO2 onto a commercial titania (P25) film. The high surface area of the upper mesoporous layer in the P25-m-TiO2 DSSC significantly increases the dye loading ability of the photoanode. The photocurrent and fill factor for the DSSC with the bilayer TiO2 electrode are greatly improved. The large increase in photocurrent current (ca. 56%) in the P25-m-TiO2 DSSC is believed to play a significant role in achieving a remarkable increase in the photovoltaic efficiency (60%) of the device, compared to DSSCs with a monolayer of P25 as the electrode. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The global stability of a delayed predator-prey system with two stage-structure

International Nuclear Information System (INIS)

Wang Fengyan; Pang Guoping

2009-01-01

Based on the classical delayed stage-structured model and Lotka-Volterra predator-prey model, we introduce and study a delayed predator-prey system, where prey and predator have two stages, an immature stage and a mature stage. The time delays are the time lengths between the immature's birth and maturity of prey and predator species. Results on global asymptotic stability of nonnegative equilibria of the delay system are given, which generalize and suggest that good continuity exists between the predator-prey system and its corresponding stage-structured system.

Structural alterations of the superior temporal gyrus in schizophrenia: Detailed subregional differences.

Science.gov (United States)

Ohi, K; Matsuda, Y; Shimada, T; Yasuyama, T; Oshima, K; Sawai, K; Kihara, H; Nitta, Y; Okubo, H; Uehara, T; Kawasaki, Y

2016-05-01

Reduced gray matter volumes in the superior temporal gyrus (STG) have been reported in patients with schizophrenia. Such volumetric abnormalities might denote alterations in cortical thickness, surface area, local gyrification or all of these factors. The STG can be anatomically divided into five subregions using automatic parcellation in FreeSurfer: lateral aspect of the STG, anterior transverse temporal gyrus of Heschl gyrus (HG), planum polare (PP) of the STG, planum temporale (PT) of the STG and transverse temporal sulcus. We acquired magnetic resonance imaging (MRI) 3T scans from 40 age- and sex-matched patients with schizophrenia and 40 healthy subjects, and the scans were automatically processed using FreeSurfer. General linear models were used to assess group differences in regional volumes and detailed thickness, surface area and local gyrification. As expected, patients with schizophrenia had significantly smaller bilateral STG volumes than healthy subjects. Of the five subregions in the STG, patients with schizophrenia showed significantly and marginally reduced volumes in the lateral aspect of the STG and PT of the STG bilaterally compared with healthy subjects. The volumetric alteration in bilateral lateral STG was derived from both the cortical thickness and surface area but not local gyrification. There was no significant laterality of the alteration in the lateral STG between patients and controls and no correlation among the structures and clinical characteristics. These findings suggest that of five anatomical subregions in the STG, the lateral STG is one of the most meaningful regions for brain pathophysiology in schizophrenia. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Stabilization of influenza vaccine enhances protection by microneedle delivery in the mouse skin.

Directory of Open Access Journals (Sweden)

Fu-Shi Quan

2009-09-01

Full Text Available Simple and effective vaccine administration is particularly important for annually recommended influenza vaccination. We hypothesized that vaccine delivery to the skin using a patch containing vaccine-coated microneedles could be an attractive approach to improve influenza vaccination compliance and efficacy.Solid microneedle arrays coated with inactivated influenza vaccine were prepared for simple vaccine delivery to the skin. However, the stability of the influenza vaccine, as measured by hemagglutination activity, was found to be significantly damaged during microneedle coating. The addition of trehalose to the microneedle coating formulation retained hemagglutination activity, indicating stabilization of the coated influenza vaccine. For both intramuscular and microneedle skin immunization, delivery of un-stabilized vaccine yielded weaker protective immune responses including viral neutralizing antibodies, protective efficacies, and recall immune responses to influenza virus. Immunization using un-stabilized vaccine also shifted the pattern of antibody isotypes compared to the stabilized vaccine. Importantly, a single microneedle-based vaccination using stabilized influenza vaccine was found to be superior to intramuscular immunization in controlling virus replication as well as in inducing rapid recall immune responses post challenge.The functional integrity of hemagglutinin is associated with inducing improved protective immunity against influenza. Simple microneedle influenza vaccination in the skin produced superior protection compared to conventional intramuscular immunization. This approach is likely to be applicable to other vaccines too.

Study on thermal stability and chemical structure of polyamide blended with small amount of Cu

International Nuclear Information System (INIS)

Arai, Tsuyoshi; Ueno, Tomonaga; Kajiya, Takafumi; Ishikawa, Tomoyuki; Takeda, Kunihiko

2007-01-01

The thermal stability and the chemical structure of Polyamide 66 (PA66) blended with a small amount of copper have been studied. The thermal degradation of the blend with 35 ppm or more of copper was restrained and no strong influence of the concentration of copper was observed. The molecular weight of PA66 decreased by the thermal aging process but the amount of decrease of the blend was smaller than that of the non-blend. The water uptake of the blend increased. The chemical structure, which was observed by IR and NMR, changed slightly by blending with copper after aging at higher temperatures. Multiple items influenced the thermal stability of PA66 blended with a small amount of copper instead of just one. Namely, the main chain of PA66 is cut by heat and the degree of the cut is restrained by the copper. The diffusion time of copper atoms that disperse uniformly in the PA66 matrix is short enough to cover the individual amide groups and the effect enlarges the entire configuration of the PA66 chain to enhance the thermal stability. (author)

Internet Addiction: Stability and Change

Science.gov (United States)

Huang, Chiungjung

2010-01-01

This longitudinal study examined five indices of stability and change in Internet addiction: structural stability, mean-level stability, differential stability, individual-level stability, and ipsative stability. The study sample was 351 undergraduate students from end of freshman year to end of junior year. Convergent findings revealed stability…

Structure and Stability of the Spinach Aquaporin SoPIP2;1 in Detergent Micelles and Lipid Membranes

DEFF Research Database (Denmark)

Plasencia, Ines; Survery, Sabeen; Ibragimova, Sania

2011-01-01

Background: SoPIP2;1 constitutes one of the major integral proteins in spinach leaf plasma membranes and belongs to the aquaporin family. SoPIP2;1 is a highly permeable and selective water channel that has been successfully overexpressed and purified with high yields. In order to optimize...... reconstitution of the purified protein into biomimetic systems, we have here for the first time characterized the structural stability of SoPIP2;1. Methodology/Principal Finding: We have characterized the protein structural stability after purification and after reconstitution into detergent micelles...... and proteoliposomes using circular dichroism and fluorescence spectroscopy techniques. The structure of SoPIP2;1 was analyzed either with the protein solubilized with octyl-beta-D-glucopyranoside (OG) or reconstituted into lipid membranes formed by E. coli lipids, diphytanoylphosphatidylcholine (DPh...

Burlington Northern Taconite Transshipment Facility, Duluth-Superior Harbor, Superior Wisconsin. Environmental Assessment Report.

Science.gov (United States)

1975-03-01

the Federal Government declared the Duluth- Superior area to be economically depressed . The reason given was the "consistant and chronic unemployment...include dogwood, sumac, arrowwood, blueberry, highbush cranberry , elderberry, wild grape, buttonbrush, snowberry and partridgeberry. Aquatic and...water for the proposed greenbelt areas and as dust sup- pression spray. 10.003 The depressed economy of the Duluth-Superior area would benefit by the

Sex differences in emotion recognition: Evidence for a small overall female superiority on facial disgust.

Science.gov (United States)

Connolly, Hannah L; Lefevre, Carmen E; Young, Andrew W; Lewis, Gary J

2018-05-21

Although it is widely believed that females outperform males in the ability to recognize other people's emotions, this conclusion is not well supported by the extant literature. The current study sought to provide a strong test of the female superiority hypothesis by investigating sex differences in emotion recognition for five basic emotions using stimuli well-calibrated for individual differences assessment, across two expressive domains (face and body), and in a large sample (N = 1,022: Study 1). We also assessed the stability and generalizability of our findings with two independent replication samples (N = 303: Study 2, N = 634: Study 3). In Study 1, we observed that females were superior to males in recognizing facial disgust and sadness. In contrast, males were superior to females in recognizing bodily happiness. The female superiority for recognition of facial disgust was replicated in Studies 2 and 3, and this observation also extended to an independent stimulus set in Study 2. No other sex differences were stable across studies. These findings provide evidence for the presence of sex differences in emotion recognition ability, but show that these differences are modest in magnitude and appear to be limited to facial disgust. We discuss whether this sex difference may reflect human evolutionary imperatives concerning reproductive fitness and child care. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Insights on the structure and stability of Licanantase: a trimeric acid-stable coiled-coil lipoprotein from Acidithiobacillus thiooxidans

Directory of Open Access Journals (Sweden)

Fernando Abarca

2014-08-01

Full Text Available Licanantase (Lic is the major component of the secretome of Acidithiobacillus thiooxidans when grown in elemental sulphur. When used as an additive, Lic improves copper recovery from bioleaching processes. However, this recovery enhancement is not fully understood. In this context, our aim is to predict the 3D structure of Lic, to shed light on its structure-function relationships. Bioinformatics analyses on the amino acid sequence of Lic showed a great similarity with Lpp, an Escherichia coli Lipoprotein that can form stable trimers in solution. Lic and Lpp share the secretion motif, intracellular processing and alpha helix structure, as well as the distribution of hydrophobic residues in heptads forming a hydrophobic core, typical of coiled-coil structures. Cross-linking experiments showed the presence of Lic trimers, supporting our predictions. Taking the in vitro and in silico evidence as a whole, we propose that the most probable structure for Lic is a trimeric coiled-coil. According to this prediction, a suitable model for Lic was produced using the de novo algorithm “Rosetta Fold-and-Dock”. To assess the structural stability of our model, Molecular Dynamics (MD and Replica Exchange MD simulations were performed using the structure of Lpp and a 14-alanine Lpp mutant as controls, at both acidic and neutral pH. Our results suggest that Lic was the most stable structure among the studied proteins in both pH conditions. This increased stability can be explained by a higher number of both intermonomer hydrophobic contacts and hydrogen bonds, key elements for the stability of Lic’s secondary and tertiary structure.

STABILITY AND DYNAMICS OF SPATIO-TEMPORAL STRUCTURES

Energy Technology Data Exchange (ETDEWEB)

Hermann Riecke

2005-10-21

This document constitutes the final report for the grant. It provides a complete list of publications and presentations that arose from the project as well as a brief description of the highlights of the research results. The research funded by this grant has provided insights into the spontaneous formation of structures of increasing complexity in systems driven far from thermodynamic equilibrium. A classic example of such a system is thermally driven convection in a horizontal fluid layer. Highlights of the research are: (1) explanation of the localized traveling wave pulses observed in binary-mixture convection, (2) explanation of the localized waves in electroconvection, (3) introduction of a new diagnostics for spatially and temporally chaotic states, which is based on the statistics of defect trajectories, (4) prediction of complex states in thermally driven convection in rotating systems. Additional contributions provided insight into the localization mechanism for oscillons, the prediction of a new localization mechanism for traveling waves based on a resonant periodic forcing, and an analysis of the stability of quasi-periodic patterns.

Virial theorem analysis of the structure and stability of magnetized clouds

International Nuclear Information System (INIS)

Zweibel, E.G.

1990-01-01

The tensor virial theorem is used to analyze the structure and stability of self-gravitating, magnetized spheroids surrounded by a low-density medium with pressure and magnetic field. Analytical expressions are developed for the effect of a weak field and calculate critical states when the effect of the field is arbitrarily strong, comparing the results with full magnetohydrostatic calculations. This analysis suggests that a magnetic field may prevent gravitational collapse but may also be destabilizing, depending on its degree of concentration within the cloud. 34 refs

An Enhanced Asymptotic Expansion for the Stability of Nonlinear Elastic Structures

DEFF Research Database (Denmark)

Christensen, Claus Dencker; Byskov, Esben

2010-01-01

A new, enhanced asymptotic expansion applicable to stability of structures made of nonlinear elastic materials is established. The method utilizes “hyperbolic” terms instead of the conventional polynomial terms, covers full kinematic nonlinearity and is applied to nonlinear elastic Euler columns...... with two different types of cross-section. Comparison with numerical results show that our expansion provides more accurate predictions of the behavior than usual expansions. The method is based on an extended version of the principle of virtual displacements that covers cases with auxiliary conditions...

Arthroscopic Anterior Shoulder Stabilization With Incorporation of a Comminuted Bony Bankart Lesion

OpenAIRE

Lansdown, Drew; Bernardoni, Eamon D.; Cotter, Eric J.; Romeo, Anthony A.; Verma, Nikhil N.

2017-01-01

Bony Bankart lesions are a common finding in patients with anterior glenohumeral dislocation. Although there are no defined guidelines, small bony Bankart fractures are typically treated arthroscopically with suture anchors. The 2 main techniques used are double- and single-row suture anchor stabilization, with debate over superiority. Biomechanical studies have shown improved reduction and stabilization with the double-row over the single-row suture anchor technique; however, this has not be...

Superior Gas Sensing Properties of Monolayer PtSe2

KAUST Repository

Sajjad, Muhammad

2016-12-15

First-principles calculations of the structural and electronic properties of monolayer 1T-PtSe2 with adsorbed (a) NO2, (b) NO, (c) NH3, (d) H2O, (e) CO2, and (f) CO molecules are discussed. The results point to great potential of the material in gas sensor applications. Superior sensitivity is demonstrated by transport calculations using the nonequilibrium Green\\'s function method.

Effects of mannose, fructose, and fucose on the structure, stability, and hydration of lysozyme in aqueous solution

DEFF Research Database (Denmark)

Rahim, Abdoul; Peters, Günther H.J.; Jalkanen, Karl J.

2013-01-01

The bio-protective properties of monosaccharaides, namely mannose, fructose and fucose, on the stability and dynamical properties of the NMR determined hen egg-white lysozyme structure have been investigated by means of molecular dynamics simulations at room temperature in aqueous solution and in...... of the solvent and sugar distributions around lysozyme was used to investigate the interfacial solvent and sugar structure near the protein surface.......The bio-protective properties of monosaccharaides, namely mannose, fructose and fucose, on the stability and dynamical properties of the NMR determined hen egg-white lysozyme structure have been investigated by means of molecular dynamics simulations at room temperature in aqueous solution and in 7...... and 13 wt % concentrations of the three sugars. Results are discussed in the framework of the bio-protective phenomena. The three sugars show similar bio-protective behaviours at room temperature (300 K) in the concentration range studied as shown by the small RMSDs of the resulting MD structures from...

Analysis of the structural stability of the smectite submitted to high pressures and temperatures

International Nuclear Information System (INIS)

Alabarse, Frederico Gil

2009-10-01

The thermal stability of bentonite is of particular interest for containment barrier in nuclear waste disposal facilities. However, very little is known about the stability of smectite (principal component of bentonite) under high-pressure and high-temperature conditions (HPHT). The objective of this work was to investigate the stability of the smectite structure under HP-HT conditions. The HP-HT experiments were performed on toroidal chambers (TC) with pressure up 7.7 GPa and temperatures of 1000 deg C. The samples were characterized by X-ray diffraction after the HP-HT processing. Furthermore, one sample from the original material was analyzed using Fourier transformed infra-red (FTIR) in situ measurements on a diamond anvil cell (DAC) in experiments up to 12 GPa. The original sample of bentonite, calcium dioctahedral montmorillonite with small fraction of quartz, was characterized by FTIR, XRD, X-ray fluorescence (XRF), scanning electron microscopy (SEM), surface area, thermogravimetric analysis (TGA) and differential thermal analysis (DTA). In the experiment performed using the DAC up to 12 GPa, the FTIR in situ measurements analysis showed that the smectite structure is stable with a reversible deformation in the Si-O bond and that the smectite did not loose water. Experiments performed in TC at 7.7 GPa of pressure and 250 deg C of temperature, during 3.5 h showed, after analysis by XRD and FTIR, that the smectite structure is stable and did not loose water. Experiments performed in TC at 7.7 GPa of pressure and 1000 deg C of temperature, during 3.5 h showed, after analysis by XRD and SEM, the transformation of bentonite to the mineral assemblage: Coesite, Quartz, Kyanite and Pyrope. (author)

Functional and structural stability of the epidermal growth factor receptor in detergent micelles and phospholipid nanodiscs

DEFF Research Database (Denmark)

Mi, Li-Zhi; Grey, Michael J; Nishida, Noritaka

2008-01-01

Cellular signaling mediated by the epidermal growth factor receptor (EGFR or ErbB) family of receptor tyrosine kinases plays an important role in regulating normal and oncogenic cellular physiology. While structures of isolated EGFR extracellular domains and intracellular protein tyrosine kinase...... differential functional stability in Triton X-100 versus dodecyl maltoside. Furthermore, the kinase activity can be significantly stabilized by reconstituting purified EGF-bound EGFR dimers in phospholipid nanodiscs or vesicles, suggesting that the environment around the hydrophobic transmembrane...

Superior oblique luxation and trochlear luxation as new concepts in superior oblique muscle weakening surgery

NARCIS (Netherlands)

Mombaerts, I.; Koornneef, L.; Everhard-Halm, Y. S.; Hughes, D. S.; Maillette de Buy Wenniger-Prick, L. J.

1995-01-01

We used superior oblique luxation and trochlear luxation as new surgical procedures to treat acquired Brown's syndrome and superior oblique muscle overaction. We studied nine patients (11 eyes) who underwent trochlear surgery between 1988 and 1993. Four patients had acquired Brown's syndrome and

Stability and electronic structure of superlattices (IIIV)n/(IV2)n

International Nuclear Information System (INIS)

Casagrande, D.; Ferraz, A.C.

1996-01-01

Theoretical investigations of atomic relaxation and electronic states have been made for ultrathin superlattices (GaP) n /(Ge 2 ) n , (GaP) n /(Si 2 ) n , (In P) n /(Ge 2 ) n and (In P) n /(Si 2 ) n with period n ≤ 3 in growth directions (001) and (110). The calculations were performed within the momentum-space formalism of the self-consistent ab-initio pseudopotential method and the molecular dynamics approach as proposed by Car and Parrinello. The structures were found to be unstable with respect to the phase separation into the constituent bulk materials. The results for the enthalpy show a metastability as increasing the superlattice period n. The density of nonoctet wrong-bonds play an important role to determine the stability of the structures. (author). 13 refs., 2 figs., 3 tabs

Stabilization of crystal and magnetic structure of Gd2Al1-xInx

International Nuclear Information System (INIS)

Niazi, M.; Yazdani, A.

2006-01-01

A random mixture of two compounds with different type of crystal structure and magnetic characteristic which can lead to a new phase, is studied to find out the critical point at which both of them stabilized. such an interesting random system can be found by; 1) Gd 2 Al with two different magnetic phase transition on which T c is unstable 2) Gd 2 In which is also shows two magnetic phase transition, but completely different with Gd 2 Al on which T N is unstable. The stabilized point which is consider experimentally by X-Ray diffraction and theoretically by WIEN2K is suggested to be at x=0.3 where it is a good agreement between these two methods.

Valence electron structure and properties of stabilized ZrO2

Institute of Scientific and Technical Information of China (English)

2008-01-01

To reveal the properties of stabilizers in ZrO2 on nanoscopic levels, the valence electron structures of four stable ZrO2 phases and c-ZrO2 were analyzed on the basis of the empirical electron theory of solids and molecules. The results showed that the hybridization levels of Zr atoms in c-ZrO2 doped with Ca and Mg dropped from B17 to B13, the hybridization levels of Zr atoms in c-ZrO2 doped with Y and Ce dropped from B17 to B15, and that the four stabilizing atoms all made the hybridization levels of O atoms drop from level 4 to level 2. The numbers of covalent electrons in the strongest covalent bond in the descending order are c-ZrO2>Zr0.82Ce0.18O2> Zr0.82Y0.18O1.91>Zr0.82Mg0.18O1.82>Zr0.82Ca0.18O1.82. The bond energies of the strongest covalent bond and the melting points of the solid solutions in the descending order are Zr0.82Ce0.18O2> c-ZrO2>Zr0.82Y0.18O1.91>Zr0.82Mg0.18O1.82>Zr0.82Ca0.18O1.82. The percent-ages of the total number of covalent electrons in the descending order are c-ZrO2>Zr0.82Y0.18O1.91> Zr0.82Ce0.18O2>Zr0.82Mg0.18O1.82> Zr0.82Ca0.18O1.82. From the above analysis, it can be concluded that the stabilizing degrees of the four stabilizers in the descending order are CaO> MgO>Y2O3>CeO2.

Evaluation of the influence of fluoroquinolone chemical structure on stability: forced degradation and in silico studies

Directory of Open Access Journals (Sweden)

André Valle de Bairros

2018-05-01

Full Text Available ABSTRACT Fluoroquinolones are a known antibacterial class commonly used around the world. These compounds present relative stability and they may show some adverse effects according their distinct chemical structures. The chemical hydrolysis of five fluoroquinolones was studied using alkaline and photolytic degradation aiming to observe the differences in molecular reactivity. DFT/B3LYP-6.31G* was used to assist with understanding the chemical structure degradation. Gemifloxacin underwent degradation in alkaline medium. Gemifloxacin and danofloxacin showed more degradation perceptual indices in comparison with ciprofloxacin, enrofloxacin and norfloxacin in photolytic conditions. Some structural features were observed which may influence degradation, such as the presence of five member rings attached to the quinolone ring and the electrostatic positive charges, showed in maps of potential electrostatic charges. These measurements may be used in the design of effective and more stable fluoroquinolones as well as the investigation of degradation products from stress stability assays.

The influence of boundary conditions on domain structure stability in spin wave approximation

International Nuclear Information System (INIS)

Wachinewski, A.

1974-01-01

Instead of the usually used Born-Karman cyclic conditions, boundary conditions which take into account the situation of the boundary lattice sites lying on the crystal's surface are assumed. It is shown that the particular choice of the boundary conditions secures the stability of domain structure in ferromagnet (positive spin wave energies), without including the Winter term in Hamiltonian. (author)

Analysis of eddy current loss in high-Tc superconducting power cables with respect to various structure of stabilizer

International Nuclear Information System (INIS)

Choi, S. J.; Song, M. K.; Lee, S. J.; Cho, J. W.; Sim, K. D.

2005-01-01

The High-Tc superconducting power cable consists of a multi-layer high-Tc superconducting cable core and a stabilizer which is used to bypass the current at fault time. Eddy current loss is generated in the stabilizer in normal operating condition and affects the whole system. In this paper, the eddy current losses are analyzed with respect to various structure of stabilizer by using opera-3d. Moreover, optimal conditions of the stabilizer are derived to minimize the eddy current losses from the analyzed results. The obtained results could be applied to the design and manufacture of the high-Tc superconducting power cable system.

Aeroelastic impact of above-rated wave-induced structural motions on the near-wake stability of a floating offshore wind turbine rotor

Science.gov (United States)

Rodriguez, Steven; Jaworski, Justin

2017-11-01

The impact of above-rated wave-induced motions on the stability of floating offshore wind turbine near-wakes is studied numerically. The rotor near-wake is generated using a lifting-line free vortex wake method, which is strongly coupled to a finite element solver for kinematically nonlinear blade deformations. A synthetic time series of relatively high-amplitude/high-frequency representative of above-rated conditions of the NREL 5MW referece wind turbine is imposed on the rotor structure. To evaluate the impact of these above-rated conditions, a linear stability analysis is first performed on the near wake generated by a fixed-tower wind turbine configuration at above-rated inflow conditions. The platform motion is then introduced via synthetic time series, and a stability analysis is performed on the wake generated by the floating offshore wind turbine at the same above-rated inflow conditions. The stability trends (disturbance modes versus the divergence rate of vortex structures) of the two analyses are compared to identify the impact that above-rated wave-induced structural motions have on the stability of the floating offshore wind turbine wake.

Effect of the mixing fields on the stability and structure of turbulent partially premixed flames in a concentric flow conical nozzle burner

KAUST Repository

Mansour, Mohy S.

2016-10-22

The mixing field is known to be one of the key parameters that affect the stability and structure of partially premixed flames. Data in these flames are now available covering the effects of turbulence, combustion system geometry, level of partially premixing and fuel type. However, quantitative analyses of the flame structure based on the mixing field are not yet available. The aim of this work is to present a comprehensive study of the effects of the mixing fields on the structure and stability of partially premixed methane flames. The mixing field in a concentric flow conical nozzle (CFCN) burner with well-controlled mechanism of the mixing is investigated using Rayleigh scattering technique. The flame stability, structure and flow field of some selected cases are presented using LIF of OH and PIV. The experimental data of the mixing field cover wide ranges of Reynolds number, equivalence ratio and mixing length. The data show that the mixing field is significantly affected by the mixing length and the ratio of the air-to-fuel velocities. The Reynolds number has a minimum effect on the mixing field in high turbulent flow regime and the stability is significantly affected by the turbulence level. The temporal fluctuations of the range of mixture fraction within the mixing field correlate with the flame stability. The highest point of stability occurs at recess distances where fluid mixtures near the jet exit plane are mostly within the flammability limits. This paper provides some correlations between the stability range in mixture fraction space and the turbulence level for different equivalence ratios.

Role of tryptophan 95 in substrate specificity and structural stability of Sulfolobus solfataricus alcohol dehydrogenase.

Science.gov (United States)

Pennacchio, Angela; Esposito, Luciana; Zagari, Adriana; Rossi, Mosè; Raia, Carlo A

2009-09-01

A mutant of the thermostable NAD(+)-dependent (S)-stereospecific alcohol dehydrogenase from Sulfolobus solfataricus (SsADH) which has a single substitution, Trp95Leu, located at the substrate binding pocket, was fully characterized to ascertain the role of Trp95 in discriminating between chiral secondary alcohols suggested by the wild-type SsADH crystallographic structure. The Trp95Leu mutant displays no apparent activity with short-chain primary and secondary alcohols and poor activity with aromatic substrates and coenzyme. Moreover, the Trp --> Leu substitution affects the structural stability of the archaeal ADH, decreasing its thermal stability without relevant changes in secondary structure. The double mutant Trp95Leu/Asn249Tyr was also purified to assist in crystallographic analysis. This mutant exhibits higher activity but decreased affinity toward aliphatic alcohols, aldehydes as well as NAD(+) and NADH compared to the wild-type enzyme. The crystal structure of the Trp95Leu/Asn249Tyr mutant apo form, determined at 2.0 A resolution, reveals a large local rearrangement of the substrate site with dramatic consequences. The Leu95 side-chain conformation points away from the catalytic metal center and the widening of the substrate site is partially counteracted by a concomitant change of Trp117 side chain conformation. Structural changes at the active site are consistent with the reduced activity on substrates and decreased coenzyme binding.

Stability, electrochemical behaviors and electronic structures of iron hydroxyl-phosphate

Energy Technology Data Exchange (ETDEWEB)

Wang Zhongli; Sun Shaorui; Li Fan; Chen Ge [College of Environmental and Energy Engineering, Beijing University of Technology, Pingleyuan 100, Chaoyang District, Beijing 100022 (China); Xia Dingguo, E-mail: dgxia@bjut.edu.cn [College of Environmental and Energy Engineering, Beijing University of Technology, Pingleyuan 100, Chaoyang District, Beijing 100022 (China); Zhao Ting; Chu Wangsheng [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); University of Science and Technology of China, Hefei 230026 (China); Wu Ziyu, E-mail: wuzy@ihep.ac.cn [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); University of Science and Technology of China, Hefei 230026 (China)

2010-09-01

Iron hydroxyl-phosphate with a uniform spherical particle size of around 1 {mu}m, a compound of the type Fe{sub 2-y}{open_square}{sub y}(PO{sub 4})(OH){sub 3-3y}(H{sub 2}O){sub 3y-2} (where {open_square} represents a vacancy), has been synthesized by hydrothermal methods. The particles are composed of spheres of diameter <100 nm. The compound exhibits good electrochemical performance, with reversible capacities of around 150 mAh g{sup -1} and 120 mAh g{sup -1} at current densities of 170 mA g{sup -1} and 680 mA g{sup -1}, respectively. The stability of crystal structure of this material was studied by TGA and XRD which show that the material remains stable at least up to the temperature 200 deg. C. Investigation of the electronic structure of the iron hydroxyl-phosphate by GGA + U calculation has indicated that it has a better electronic conductivity than LiFePO{sub 4}.

Integrated optimization on aerodynamics-structure coupling and flight stability of a large airplane in preliminary design

Directory of Open Access Journals (Sweden)

Xiaozhe WANG

2018-06-01

Full Text Available The preliminary phase is significant during the whole design process of a large airplane because of its enormous potential in enhancing the overall performance. However, classical sequential designs can hardly adapt to modern airplanes, due to their repeated iterations, long periods, and massive computational burdens. Multidisciplinary analysis and optimization demonstrates the capability to tackle such complex design issues. In this paper, an integrated optimization method for the preliminary design of a large airplane is proposed, accounting for aerodynamics, structure, and stability. Aeroelastic responses are computed by a rapid three-dimensional flight load analysis method combining the high-order panel method and the structural elasticity correction. The flow field is determined by the viscous/inviscid iteration method, and the cruise stability is evaluated by the linear small-disturbance theory. Parametric optimization is carried out using genetic algorithm to seek the minimal weight of a simplified plate-beam wing structure in the cruise trim condition subject to aeroelastic, aerodynamic, and stability constraints, and the optimal wing geometry shape, front/rear spar positions, and structural sizes are obtained simultaneously. To reduce the computational burden of the static aeroelasticity analysis in the optimization process, the Kriging method is employed to predict aerodynamic influence coefficient matrices of different aerodynamic shapes. The multidisciplinary analyses guarantee computational accuracy and efficiency, and the integrated optimization considers the coupling effect sufficiently between different disciplines to improve the overall performance, avoiding the limitations of sequential approaches utilized currently. Keywords: Aeroelasticity, Integrated optimization, Multidisciplinary analysis, Large airplane, Preliminary design

Computational analysis of histidine mutations on the structural stability of human tyrosinases leading to albinism insurgence.

Science.gov (United States)

Hassan, Mubashir; Abbas, Qamar; Raza, Hussain; Moustafa, Ahmed A; Seo, Sung-Yum

2017-07-25

Misfolding and structural alteration in proteins lead to serious malfunctions and cause various diseases in humans. Mutations at the active binding site in tyrosinase impair structural stability and cause lethal albinism by abolishing copper binding. To evaluate the histidine mutational effect, all mutated structures were built using homology modelling. The protein sequence was retrieved from the UniProt database, and 3D models of original and mutated human tyrosinase sequences were predicted by changing the residual positions within the target sequence separately. Structural and mutational analyses were performed to interpret the significance of mutated residues (N 180 , R 202 , Q 202 , R 211 , Y 363 , R 367 , Y 367 and D 390 ) at the active binding site of tyrosinases. CSpritz analysis depicted that 23.25% residues actively participate in the instability of tyrosinase. The accuracy of predicted models was confirmed through online servers ProSA-web, ERRAT score and VERIFY 3D values. The theoretical pI and GRAVY generated results also showed the accuracy of the predicted models. The CCA negative correlation results depicted that the replacement of mutated residues at His within the active binding site disturbs the structural stability of tyrosinases. The predicted CCA scores of Tyr 367 (-0.079) and Q/R 202 (0.032) revealed that both mutations have more potential to disturb the structural stability. MD simulation analyses of all predicted models justified that Gln 202 , Arg 202 , Tyr 367 and D 390 replacement made the protein structures more susceptible to destabilization. Mutational results showed that the replacement of His with Q/R 202 and Y/R 363 has a lethal effect and may cause melanin associated diseases such as OCA1. Taken together, our computational analysis depicts that the mutated residues such as Q/R 202 and Y/R 363 actively participate in instability and misfolding of tyrosinases, which may govern OCA1 through disturbing the melanin biosynthetic pathway.

Estimation AMMI stability value as a measure for selection two row barley mutants

International Nuclear Information System (INIS)

Azzo, F. Z.

2012-12-01

A field experiment was carried out at the Tuwaitha research station (the Iraqi Atomic Energy Commission / Ministry of Science and Technology now) to estimate AMMI stability value of 18 mutants two row cultivate over three genetic generations (environments). The results showed that two mutants 91 and 25 was superiority in grain yield character (kg / ha) and the original 4/5 mutations are more stable and this is a good sign about the possibility of using AMMI stability value in estimating stability in the late generations. (Author)

One stone, two birds: silica nanospheres significantly increase photocatalytic activity and colloidal stability of photocatalysts

Science.gov (United States)

Rasamani, Kowsalya D.; Foley, Jonathan J., IV; Sun, Yugang

2018-03-01

Silver-doped silver chloride [AgCl(Ag)] nanoparticles represent a unique class of visible-light-driven photocatalysts, in which the silver dopants introduce electron-abundant mid-gap energy levels to lower the bandgap of AgCl. However, free-standing AgCl(Ag) nanoparticles, particularly those with small sizes and large surface areas, exhibit low colloidal stability and low compositional stability upon exposure to light irradiation, leading to easy aggregation and conversion to metallic silver and thus a loss of photocatalytic activity. These problems could be eliminated by attaching the small AgCl(Ag) nanoparticles to the surfaces of spherical dielectric silica particles with submicrometer sizes. The high optical transparency in the visible spectral region (400-800 nm), colloidal stability, and chemical/electronic inertness displayed by the silica spheres make them ideal for supporting photocatalysts and significantly improving their stability. The spherical morphology of the dielectric silica particles can support light scattering resonances to generate significantly enhanced electric fields near the silica particle surfaces, on which the optical absorption cross-section of the AgCl(Ag) nanoparticles is dramatically increased to promote their photocatalytic activity. The hybrid silica/AgCl(Ag) structures exhibit superior photocatalytic activity and stability, suitable for supporting photocatalysis sustainably; for instance, their efficiency in the photocatalytic decomposition of methylene blue decreases by only ˜9% even after ten cycles of operation.

Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Kabir, L.; Mandal, A.R. [Department of Physics, Visva-Bharati, Santiniketan-731 235 (India); Mandal, S.K., E-mail: sk_mandal@hotmail.co [Department of Physics, Visva-Bharati, Santiniketan-731 235 (India)

2010-04-15

We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni{sup 2+} clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni{sup 2+} clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

Science.gov (United States)

Kabir, L.; Mandal, A. R.; Mandal, S. K.

2010-04-01

We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni 2+ clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni 2+ clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

International Nuclear Information System (INIS)

Kabir, L.; Mandal, A.R.; Mandal, S.K.

2010-01-01

We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni 2+ clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni 2+ clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

Ab initio study on stacking sequences, free energy, dynamical stability and potential energy surfaces of graphite structures

International Nuclear Information System (INIS)

Anees, P; Valsakumar, M C; Chandra, Sharat; Panigrahi, B K

2014-01-01

Ab initio simulations have been performed to study the structure, energetics and stability of several plausible stacking sequences in graphite. These calculations suggest that in addition to the standard structures, graphite can also exist in AA-simple hexagonal, AB-orthorhombic and ABC-hexagonal type stacking. The free energy difference between these structures is very small (∼1 meV/atom), and hence all the structures can coexist from purely energetic considerations. Calculated x-ray diffraction patterns are similar to those of the standard structures for 2θ ⩽ 70°. Shear elastic constant C 44 is negative in AA-simple hexagonal, AB-orthorhombic and ABC-hexagonal structures, suggesting that these structures are mechanically unstable. Phonon dispersions show that the frequencies of some modes along the Γ–A direction in the Brillouin zone are imaginary in all of the new structures, implying that these structures are dynamically unstable. Incorporation of zero point vibrational energy via the quasi-harmonic approximation does not result in the restoration of dynamical stability. Potential energy surfaces for the unstable normal modes are seen to have the topography of a potential hill for all the new structures, confirming that all of the new structures are inherently unstable. The fact that the potential energy surface is not in the form of a double well implies that the structures are linearly as well as globally unstable. (paper)

Preparation of nanodispersed titania using stabilized ammonium nitrate melts

KAUST Repository

Raciulete, Monica

2010-10-01

An expedite one-step approach using simple precursors has been proposed to obtain metallic oxide compounds and exemplified by preparation of highly dispersed TiO2. The technique consists in heating to 400500 °C of molten ammonium nitrate stabilized with an organic nitrogen-containing compound (urea, melamine, ammonium oxalate) and containing dissolved metal salt precursor (TiOCl2). The crystallites of the resulting TiO2 demonstrated variable size and shape as a function of stabilizer used. Their activity in photocatalytic oxidation of formic acid also depends on the nature of the stabilizer. The catalysts as-prepared showed high photocatalytic performance, superior to that of the Degussa P25 reference. Nitrogen containing stabilizers play a double role of increasing the process safety and modifying the properties of the solid products. © 2010 Elsevier Inc. All rights reserved.

DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

Science.gov (United States)

Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2017-12-01

Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.

Structuring detergents for extracting and stabilizing functional membrane proteins.

Directory of Open Access Journals (Sweden)

Rima Matar-Merheb

Full Text Available BACKGROUND: Membrane proteins are privileged pharmaceutical targets for which the development of structure-based drug design is challenging. One underlying reason is the fact that detergents do not stabilize membrane domains as efficiently as natural lipids in membranes, often leading to a partial to complete loss of activity/stability during protein extraction and purification and preventing crystallization in an active conformation. METHODOLOGY/PRINCIPAL FINDINGS: Anionic calix[4]arene based detergents (C4Cn, n=1-12 were designed to structure the membrane domains through hydrophobic interactions and a network of salt bridges with the basic residues found at the cytosol-membrane interface of membrane proteins. These compounds behave as surfactants, forming micelles of 5-24 nm, with the critical micellar concentration (CMC being as expected sensitive to pH ranging from 0.05 to 1.5 mM. Both by 1H NMR titration and Surface Tension titration experiments, the interaction of these molecules with the basic amino acids was confirmed. They extract membrane proteins from different origins behaving as mild detergents, leading to partial extraction in some cases. They also retain protein functionality, as shown for BmrA (Bacillus multidrug resistance ATP protein, a membrane multidrug-transporting ATPase, which is particularly sensitive to detergent extraction. These new detergents allow BmrA to bind daunorubicin with a Kd of 12 µM, a value similar to that observed after purification using dodecyl maltoside (DDM. They preserve the ATPase activity of BmrA (which resets the protein to its initial state after drug efflux much more efficiently than SDS (sodium dodecyl sulphate, FC12 (Foscholine 12 or DDM. They also maintain in a functional state the C4Cn-extracted protein upon detergent exchange with FC12. Finally, they promote 3D-crystallization of the membrane protein. CONCLUSION/SIGNIFICANCE: These compounds seem promising to extract in a functional state

Effect of homogenization and pasteurization on the structure and stability of whey protein in milk.

Science.gov (United States)

Qi, Phoebe X; Ren, Daxi; Xiao, Yingping; Tomasula, Peggy M

2015-05-01

The effect of homogenization alone or in combination with high-temperature, short-time (HTST) pasteurization or UHT processing on the whey fraction of milk was investigated using highly sensitive spectroscopic techniques. In pilot plant trials, 1-L quantities of whole milk were homogenized in a 2-stage homogenizer at 35°C (6.9 MPa/10.3 MPa) and, along with skim milk, were subjected to HTST pasteurization (72°C for 15 s) or UHT processing (135°C for 2 s). Other whole milk samples were processed using homogenization followed by either HTST pasteurization or UHT processing. The processed skim and whole milk samples were centrifuged further to remove fat and then acidified to pH 4.6 to isolate the corresponding whey fractions, and centrifuged again. The whey fractions were then purified using dialysis and investigated using the circular dichroism, Fourier transform infrared, and Trp intrinsic fluorescence spectroscopic techniques. Results demonstrated that homogenization combined with UHT processing of milk caused not only changes in protein composition but also significant secondary structural loss, particularly in the amounts of apparent antiparallel β-sheet and α-helix, as well as diminished tertiary structural contact. In both cases of homogenization alone and followed by HTST treatments, neither caused appreciable chemical changes, nor remarkable secondary structural reduction. But disruption was evident in the tertiary structural environment of the whey proteins due to homogenization of whole milk as shown by both the near-UV circular dichroism and Trp intrinsic fluorescence. In-depth structural stability analyses revealed that even though processing of milk imposed little impairment on the secondary structural stability, the tertiary structural stability of whey protein was altered significantly. The following order was derived based on these studies: raw whole>HTST, homogenized, homogenized and pasteurized>skimmed and pasteurized, and skimmed UHT

Structural aspects of magnetic fluid stabilization in aqueous agarose solutions

Energy Technology Data Exchange (ETDEWEB)

Nagornyi, A.V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Taras Shevchenko National University of Kyiv, Kyiv (Ukraine); Petrenko, V.I., E-mail: vip@nf.jinr.ru [Joint Institute for Nuclear Research, Dubna (Russian Federation); Taras Shevchenko National University of Kyiv, Kyiv (Ukraine); Avdeev, M.V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Yelenich, O.V.; Solopan, S.O.; Belous, A.G. [V.I.Vernadsky Institute of General and Inorganic Chemistry of the Ukrainian NAS, Kyiv (Ukraine); Gruzinov, A.Yu. [National Research Centre “Kurchatov Institute”, Moscow (Russian Federation); Ivankov, O.I. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Institute for Safety Problems of Nuclear Power Plants of the Ukrainian NAS, Kyiv (Ukraine); Bulavin, L.A. [Taras Shevchenko National University of Kyiv, Kyiv (Ukraine); Institute for Safety Problems of Nuclear Power Plants of the Ukrainian NAS, Kyiv (Ukraine)

2017-06-01

Structure characterization of magnetic fluids (MFs) synthesized by three different methods in aqueous solutions of agarose was done by means of small-angle neutron (SANS) and synchrotron X-ray scattering (SAXS). The differences in the complex aggregation observed in the studied magnetic fluids were related to different stabilizing procedures of the three kinds of MFs. The results of the analysis of the scattering (mean size of single polydisperse magnetic particles, fractal dimensions of the aggregates) are consistent with the data of transmission electron microscopy (TEM). - Highlights: • MFs synthesized by three different methods in agarose solution were studied. • all MFs are agglomerated colloidal systems whose structures are nevertheless stable in time. • differences in the complex aggregation were observed in the studied magnetic fluids. • results of the SAXS and SANS analysis are consistent with TEM data.

Structure of anti-FLAG M2 Fab domain and its use in the stabilization of engineered membrane proteins

International Nuclear Information System (INIS)

Roosild, Tarmo P.; Castronovo, Samantha; Choe, Senyon

2006-01-01

The X-ray crystallographic analysis of anti-FLAG M2 Fab is reported and the implications of the structure on FLAG epitope binding are described as a first step in the development of a tool for the structural and biophysical study of membrane proteins. The inherent difficulties of stabilizing detergent-solubilized integral membrane proteins for biophysical or structural analysis demand the development of new methodologies to improve success rates. One proven strategy is the use of antibody fragments to increase the ‘soluble’ portion of any membrane protein, but this approach is limited by the difficulties and expense associated with producing monoclonal antibodies to an appropriate exposed epitope on the target protein. Here, the stabilization of a detergent-solubilized K + channel protein, KvPae, by engineering a FLAG-binding epitope into a known loop region of the protein and creating a complex with Fab fragments from commercially available anti-FLAG M2 monoclonal antibodies is reported. Although well diffracting crystals of the complex have not yet been obtained, during the course of crystallization trials the structure of the anti-FLAG M2 Fab domain was solved to 1.86 Å resolution. This structure, which should aid future structure-determination efforts using this approach by facilitating molecular-replacement phasing, reveals that the binding pocket appears to be specific only for the first four amino acids of the traditional FLAG epitope, namely DYKD. Thus, the use of antibody fragments for improving the stability of target proteins can be rapidly applied to the study of membrane-protein structure by placing the short DKYD motif within a predicted peripheral loop of that protein and utilizing commercially available anti-FLAG M2 antibody fragments

Effects of stabilizer ratio on photoluminescence properties of sol-gel ZnO nano-structured thin films

International Nuclear Information System (INIS)

Boudjouan, F.; Chelouche, A.; Touam, T.; Djouadi, D.; Khodja, S.; Tazerout, M.; Ouerdane, Y.; Hadjoub, Z.

2015-01-01

Nanostructured ZnO thin films with different molar ratios of MEA to zinc acetate (0.5, 1.0, 1.5 and 2.0) have been deposited on glass substrates by a sol–gel dip coating technique. X-ray diffraction, Scanning Electron Microscopy, UV–visible spectrophotometry and photoluminescence spectroscopy have been employed to investigate the effect of MEA stabilizer ratio on structural, morphological, absorbance and emission properties of the ZnO thin films. Diffraction patterns have shown that all the films are polycrystalline and exhibit a wurtzite hexagonal structure. The c axis orientation has been enhanced with increasing stabilizer ratio. SEM micrographs have revealed that the morphology of the ZnO films depend on stabilizer ratio. The UV–visible absorption spectra have demonstrated that the optical absorption is affected by stabilizer ratio. The photoluminescence spectra have indicated one ultraviolet and two visible emission bands (green and red), while band intensities are found to be dependent on stabilizer ratio. ZnO thin films deposited at MEA ratio of 1.0 show the highest UV emission while the minimum UV emission intensity is observed in thin films deposited at ratio of 0.5 and the maximum green has been recorded for films deposited at MEA ratio of 2.0. - Highlight: • c axis orientation increases with increasing MEA ratio. • The increase of MEA ration from 0.5 to 1.0 enhances greatly the UV emission. • The larger I UV /I visible is obtained for the MEA to Zn ratio of 1:1. • The MEA ratio of 0.5 favors the formation of large density of V zn . • The MEA ratio of 2.0 increases the V o density

Structure, stability, and thermomechanical properties of Ca-substituted Pr2NiO4 + δ

Science.gov (United States)

Pikalova, E. Yu.; Medvedev, D. A.; Khasanov, A. F.

2017-04-01

Ca-substituted layered nickelates with a general Pr2- x Ca x NiO4 + δ composition ( x = 0-0.7, Δ x = 0.1) were prepared in the present work and their structural and physic-chemical properties were investigated in order to select the most optimal materials, which can be used as cathodes for solid oxide fuel cells. With an increase in Ca content in Pr2- x Ca x NiO4 + δ the following tendencies were observed: (i) a decrease in the concentration of nonstoichiometric oxygen (δ), (ii) a decrease in the unit cell parameters and volume, (iii) stabilization of the tetragonal structure, (iv) a decrease of the thermal expansion coefficients, and (v) enchancement of thermodynamic stability and compatibility with selected oxygen- and proton-conducting electrolytes. The Pr1.9Ca0.1NiO4 + δ material, having highest δ value, departs from the general "properties-composition" dependences ascertained. This indicates that oxygen non-stoichiometry has determining influence on the functional properties of layered nickelates.

Stability, structure, and evolution of cool loops

International Nuclear Information System (INIS)

Cally, P.S.; Robb, T.D.

1991-01-01

The criteria for the existence and stability of cool loops are reexamined. It is found that the stability of the loops strongly depends on the form of the heating and radiative loss functions and that if the Ly-alpha peak which appears in most calculations of the radiative loss function is real, cool loops are almost certainly unstable. Removing the hydrogen contribution from the recent loss function Q(T) by Cook et al. (1989) does not produce the much-used result, Q proportional to T-cubed, which is so favorable to cool loop stability. Even using the probably unrealistically favorable loss function Q1 of Cook et al. with the hydrogen contribution removed, the maximum temperature attainable in stable cool loops is a factor of 2-3 too small to account for the excess emission observed in lower transition region lines. Dynamical simulations of cool loop instabilities reveal that the final state of such a model is the hot loop equilibrium. 26 refs

Expression, stabilization and purification of membrane proteins via diverse protein synthesis systems and detergents involving cell-free associated with self-assembly peptide surfactants.

Science.gov (United States)

Zheng, Xuan; Dong, Shuangshuang; Zheng, Jie; Li, Duanhua; Li, Feng; Luo, Zhongli

2014-01-01

G-protein coupled receptors (GPCRs) are involved in regulating most of physiological actions and metabolism in the bodies, which have become most frequently addressed therapeutic targets for various disorders and diseases. Purified GPCR-based drug discoveries have become routine that approaches to structural study, novel biophysical and biochemical function analyses. However, several bottlenecks that GPCR-directed drugs need to conquer the problems including overexpression, solubilization, and purification as well as stabilization. The breakthroughs are to obtain efficient protein yield and stabilize their functional conformation which are both urgently requiring of effective protein synthesis system methods and optimal surfactants. Cell-free protein synthesis system is superior to the high yields and post-translation modifications, and early signs of self-assembly peptide detergents also emerged to superiority in purification of membrane proteins. We herein focus several predominant protein synthesis systems and surfactants involving the novel peptide detergents, and uncover the advantages of cell-free protein synthesis system with self-assembling peptide detergents in purification of functional GPCRs. This review is useful to further study in membrane proteins as well as the new drug exploration. Copyright © 2014 Elsevier Inc. All rights reserved.

Yield stability and adaptability of maize hybrids based on GGE biplot analysis characteristics

Directory of Open Access Journals (Sweden)

Marcio Balestre

2009-01-01

Full Text Available The objective of this study was to evaluate stability and adaptability of the grain yield of commercial intervarietalmaize hybrids by the GGE (Genotype and Genotype by Environment Interaction biplot and AMMI (Additive Main Effects andMultiplicative Interaction analyses. Two intervarietal hybrids (BIO 2 and BIO4 were evaluated together with single, doubleand three-way cross hybrids. The performance of the intervarietal hybrid BIO 4 was superior to all double and three-waycross hybrids and outmatched the single-cross hybrids by 43%. In terms of stability, BIO 2 was more stable than BIO4, whichis desirable, but biological stability, which is not necessarily desirable, was also observed, since the yield was below theenvironmental mean. The graphical GGE biplot analysis was superior to the AMMI1 since a greater portion of the sum ofsquares of GE and G+GE was captured and the predictive accuracy was higher. On the other hand, the AMMI2 graphoutperformed the GGE biplot in predictive accuracy and explanation of G + GE and GE, although the difference in accuracywas smaller than between GGE2 and AMMI1.

Influence of Surfactant Structure on the Stability of Water-in-Oil Emulsions under High-Temperature High-Salinity Conditions

Directory of Open Access Journals (Sweden)

Abdelhalim I. A. Mohamed

2017-01-01

Full Text Available Emulsified water-in-oil (W/O systems are extensively used in the oil industry for water control and acid stimulation. Emulsifiers are commonly utilized to emulsify a water-soluble material to form W/O emulsion. The selection of a particular surfactant for such jobs is critical and certainly expensive. In this work, the impact of surfactant structure on the stability of W/O emulsions is investigated using the hydrophilic-lipophilic balance (HLB of the surfactant. Different commercial surfactants were evaluated for use as emulsifiers for W/O systems at high-temperature (up to 120°C high-salinity (221,673 ppm HTHS conditions. Diverse surfactants were examined including ethoxylates, polyethylene glycols, fluorinated surfactants, and amides. Both commercial Diesel and waste oil are used for the oleic phase to prepare the emulsified system. Waste oil has shown higher stability (less separation in comparison with Diesel. This work has successfully identified stable emulsified W/O systems that can tolerate HTHS environments using HLB approach. Amine Acetate family shows higher stability in comparison with Glycol Ether family and at even lower concentration. New insights into structure-surfactant stability relationship, beyond the HLB approach, are provided for surfactant selection.

Oxidative stability of mayonnaise containing structured lipids produced from sunflower oil and caprylic acid

DEFF Research Database (Denmark)

Jacobsen, Charlotte; Xu, Xuebing; Nielsen, Nina Skall

2003-01-01

Mayonnaise based on enzymatically produced specific structured lipid (SL) from sunflower oil and caprylic acid was compared with mayonnaise based on traditional sunflower oil (SO) or chemically randomized lipid (RL) with respect to their oxidative stability, sensory and rheological properties......, but was most likely influenced by the structure of the lipid, the lower tocopherol content and the higher initial levels of lipid hydroperoxides and secondary volatile oxidation compounds in the SL itself compared with the RL and traditional sunflower oil employed. EDTA was a strong antioxidant, while propyl...

Improving stability and strength characteristics of framed structures with nonlinear behavior

Science.gov (United States)

Pezeshk, Shahram

1990-01-01

In this paper an optimal design procedure is introduced to improve the overall performance of nonlinear framed structures. The design methodology presented here is a multiple-objective optimization procedure whose objective functions involve the buckling eigenvalues and eigenvectors of the structure. A constant volume with bounds on the design variables is used in conjunction with an optimality criterion approach. The method provides a general tool for solving complex design problems and generally leads to structures with better limit strength and stability. Many algorithms have been developed to improve the limit strength of structures. In most applications geometrically linear analysis is employed with the consequence that overall strength of the design is overestimated. Directly optimizing the limit load of the structure would require a full nonlinear analysis at each iteration which would be prohibitively expensive. The objective of this paper is to develop an algorithm that can improve the limit-load of geometrically nonlinear framed structures while avoiding the nonlinear analysis. One of the novelties of the new design methodology is its ability to efficiently model and design structures under multiple loading conditions. These loading conditions can be different factored loads or any kind of loads that can be applied to the structure simultaneously or independently. Attention is focused on optimal design of space framed structures. Three-dimensional design problems are more complicated to carry out, but they yield insight into real behavior of the structure and can help avoiding some of the problems that might appear in planar design procedure such as the need for out-of-plane buckling constraint. Although researchers in the field of structural engineering generally agree that optimum design of three-dimension building frames especially in the seismic regions would be beneficial, methods have been slow to emerge. Most of the research in this area has dealt

Fv-clasp: An Artificially Designed Small Antibody Fragment with Improved Production Compatibility, Stability, and Crystallizability.

Science.gov (United States)

Arimori, Takao; Kitago, Yu; Umitsu, Masataka; Fujii, Yuki; Asaki, Ryoko; Tamura-Kawakami, Keiko; Takagi, Junichi

2017-10-03

Antibody fragments are frequently used as a "crystallization chaperone" to aid structural analysis of complex macromolecules that are otherwise crystallization resistant, but conventional fragment formats have not been designed for this particular application. By fusing an anti-parallel coiled-coil structure derived from the SARAH domain of human Mst1 kinase to the variable region of an antibody, we succeeded in creating a novel chimeric antibody fragment of ∼37 kDa, termed "Fv-clasp," which exhibits excellent crystallization compatibility while maintaining the binding ability of the original IgG molecule. The "clasp" and the engineered disulfide bond at the bottom of the Fv suppressed the internal mobility of the fragment and shielded hydrophobic residues, likely contributing to the high heat stability and the crystallizability of the Fv-clasp. Finally, Fv-clasp antibodies showed superior "chaperoning" activity over conventional Fab fragments, and facilitated the structure determination of an ectodomain fragment of integrin α6β1. Copyright © 2017 Elsevier Ltd. All rights reserved.

Evidence for the long-term stability of uranium mill tailings: survivability of ancient man-made earthern structures

International Nuclear Information System (INIS)

Lindsey, C.G.; Mishima, J.

1982-09-01

Pacific Northwest Laboratory (PNL), as part of a study for the Nuclear Regulatory Commission (NRC), is investigating long-term stabilization techniques for uranium mill tailings piles. Part of this invetigation involves the design of a rock armoring blanket to mitigate wind and water erosion of the underlying soil cover, which, in turn, prevents exposure of the tailings to the environment. However, the need for the armoring blanket, as well as this blanket's effectiveness, depends on the stability of the underlying soil cap (radon suppression cover) and on the tailings themselves. Compelling evidence in archaeological records suggests that large man-made earthen structures can remain sound and intact for time periods comparable to those required for the tailings piles. In this paper we present archaeological evidence of the existence and survivability of man-made earthen and rock structures through specific examples of such structures around the world. We also review factors contributing to the survival or destruction of these structures. Archaeological evidence suggests that whereas natural erosional forces have affected these structures, man's activities (e.g., agriculture, looting) have been the most damaging. The influence of climate, building materials, and construction techniques on survivability is addressed in this paper

Dromion-like structures and stability analysis in the variable coefficients complex Ginzburg–Landau equation

International Nuclear Information System (INIS)

Wong, Pring; Pang, Li-Hui; Huang, Long-Gang; Li, Yan-Qing; Lei, Ming; Liu, Wen-Jun

2015-01-01

The study of the complex Ginzburg–Landau equation, which can describe the fiber laser system, is of significance for ultra-fast laser. In this paper, dromion-like structures for the complex Ginzburg–Landau equation are considered due to their abundant nonlinear dynamics. Via the modified Hirota method and simplified assumption, the analytic dromion-like solution is obtained. The partial asymmetry of structure is particularly discussed, which arises from asymmetry of nonlinear and dispersion terms. Furthermore, the stability of dromion-like structures is analyzed. Oscillation structure emerges to exhibit strong interference when the dispersion loss is perturbed. Through the appropriate modulation of modified exponent parameter, the oscillation structure is transformed into two dromion-like structures. It indicates that the dromion-like structure is unstable, and the coherence intensity is affected by the modified exponent parameter. Results in this paper may be useful in accounting for some nonlinear phenomena in fiber laser systems, and understanding the essential role of modified Hirota method

The Use of Polymerized Genipin for the Stabilization of the Collagen Structure of Animal Hides

Science.gov (United States)

Animal hides are the major byproduct of meat industry and the collagen fibers is the main constituent. Crosslinkers play a key role in stabilizing the collagen structure for useful applications. Genipin is widely used as an ideal biological protein crosslinking agent due to its low toxicity compare...

Low-molecular-weight glutenin subunits from the 1U genome of Aegilops umbellulata confer superior dough rheological properties and improve breadmaking quality of bread wheat.

Science.gov (United States)

Wang, Jian; Wang, Chang; Zhen, Shoumin; Li, Xiaohui; Yan, Yueming

2018-04-01

Wheat-related genomes may carry new glutenin genes with the potential for quality improvement of breadmaking. In this study, we estimated the gluten quality properties of the wheat line CNU609 derived from crossing between Chinese Spring (CS, Triticum aestivum L., 2n = 6x = 42, AABBDD) and the wheat Aegilops umbellulata (2n = 2x = 14, UU) 1U(1B) substitution line, and investigated the function of 1U-encoded low-molecular-weight glutenin subunits (LMW-GS). The main quality parameters of CNU609 were significantly improved due to introgression of the 1U genome, including dough development time, stability time, farinograph quality number, gluten index, loaf size and inner structure. Glutenin analysis showed that CNU609 and CS had the same high-molecular-weight glutenin subunit (HMW-GS) composition, but CNU609 carried eight specific 1U genome-encoded LMW-GS. The introgression of the 1U-encoded LMW-GS led to more and larger protein body formation in the CNU609 endosperm. Two new LMW-m type genes from the 1U genome, designated Glu-U3a and Glu-U3b, were cloned and characterized. Secondary structure prediction implied that both Glu-U3a and Glu-U3b encode subunits with high α-helix and β-strand content that could benefit the formation of superior gluten structure. Our results indicate that the 1U genome has superior LMW-GS that can be used as new gene resources for wheat gluten quality improvement. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Chemical structure and radiation stability of solid crystalline antibiotics: thiamphenicol and chloramphenicol

International Nuclear Information System (INIS)

Varshney, Lalit; Soe Nwe

1997-01-01

Antibiotics in solid state show significant radiation resistance and some of them are exposed to gamma or electron beam irradiation for sterilization. Even small radiation degradation in solid state antibiotics is not desirable. Two antibiotics namely thiamphenicol (TPL) and chloramphenicol (CPL) having similar chemical and solid state structure were irradiated at different graded radiation doses to study their stability. Differential scanning calorimetry (DSC) was used to evaluate purity, entropy of radiation processing, heat of fusion and melting point. (author). 3 refs., 1 tab

Pt atoms stabilized on hexagonal boron nitride as efficient single-atom catalysts for CO oxidation: A first-principles investigation

KAUST Repository

Liu, Xin

2015-01-01

Taking CO oxidation as a probe, we investigated the electronic structure and reactivity of Pt atoms stabilized by vacancy defects on hexagonal boron nitride (h-BN) by first-principles-based calculations. As a joint effect of the high reactivity of both a single Pt atom and a boron vacancy defect (PtBV), the Pt-N interaction is -4.40 eV and is already strong enough to prohibit the diffusion and aggregation of the stabilized Pt atom. Facilitated by the upshifted Pt-d states originated from the Pt-N interaction, the barriers for CO oxidation through the Langmuir-Hinshelwood mechanism for formation and dissociation of peroxide-like intermediate and the regeneration are as low as 0.38, 0.10 and 0.04 eV, respectively, suggesting the superiority of PtBV as a catalyst for low temperature CO oxidation.

Superior Hiking Trail

Data.gov (United States)

Minnesota Department of Natural Resources — Superior Hiking Trail main trail, spurs, and camp spurs for completed trail throughout Cook, Lake, St. Louis and Carlton counties. These data were collected with...

Beam Stability in the Drive-Beam Decelerator of CLIC Using Structures of High-Order Symmetry

CERN Document Server

Millich, Antonio; Schulte, Daniel

1999-01-01

The RF power necessary to accelerate the main beam of the Compact Linear Collider (CLIC) is produced by decelerating a high-current drive beam in Power Extraction and Transfer Structures (PETS). The reference structure is not cylindrically symmetric but has longitudinal waveguides carved into the inner surface. This gives rise to a transverse component of the main longitudinal mode which can not be damped, in contrast to the transverse dipole wake- field. The field is non-linear and couples the motion of the particles in the two planes. Limits of the stability of the decelerated beam are investigated for different structures.

Strategies to curb structural changes of lithium/transition metal oxide cathode materials & the changes’ effects on thermal & cycling stability

Science.gov (United States)

Xiqian, Yu; Enyuan, Hu; Seongmin, Bak; Yong-Ning, Zhou; Xiao-Qing, Yang

2016-01-01

Structural transformation behaviors of several typical oxide cathode materials during a heating process are reviewed in detail to provide in-depth understanding of the key factors governing the thermal stability of these materials. We also discuss applying the information about heat induced structural evolution in the study of electrochemically induced structural changes. All these discussions are expected to provide valuable insights for designing oxide cathode materials with significantly improved structural stability for safe, long-life lithium ion batteries, as the safety of lithium-ion batteries is a critical issue; it is widely accepted that the thermal instability of the cathodes is one of the most critical factors in thermal runaway and related safety problems. Project supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies (Grant No. DE-SC0012704).

Innovative Ingredients and Emerging Technologies for Controlling Ice Recrystallization, Texture, and Structure Stability in Frozen Dairy Desserts: A Review.

Science.gov (United States)

Soukoulis, Christos; Fisk, Ian

2016-11-17

Over the past decade, ice cream manufacturers have developed a strong understanding of the functionality of key ingredients and processing, developing effective explanations for the link between structure forming agents, stability mechanisms, and perceived quality. Increasing demand for products perceived as healthier/more natural with minimal processing has identified a number of new tools to improve quality and storage stability of frozen dairy desserts. Ingredients such as dietary fiber, polysaccharides, prebiotics, alternate sweeteners, fat sources rich in unsaturated fatty acids and ice strucsturing proteins (ISP) have been successfully applied as cryoprotective, texturizing, and structuring agents. Emerging minimal processing technologies including hydrostatic pressure processing, ultrasonic or high pressure assisted freezing, low temperature extrusion and enzymatically induced biopolymers crosslinking have been evaluated for their ability to improve colloidal stability, texture and sensory quality. It is therefore timely for a comprehensive review.

Structure-based stabilization of HIV-1 gp120 enhances humoral immune responses to the induced co-receptor binding site.

Directory of Open Access Journals (Sweden)

Barna Dey

2009-05-01

Full Text Available The human immunodeficiency virus type 1 (HIV-1 exterior envelope glycoprotein, gp120, possesses conserved binding sites for interaction with the primary virus receptor, CD4, and also for the co-receptor, generally CCR5. Although gp120 is a major target for virus-specific neutralizing antibodies, the gp120 variable elements and its malleable nature contribute to evasion of effective host-neutralizing antibodies. To understand the conformational character and immunogenicity of the gp120 receptor binding sites as potential vaccine targets, we introduced structure-based modifications to stabilize gp120 core proteins (deleted of the gp120 major variable regions into the conformation recognized by both receptors. Thermodynamic analysis of the re-engineered core with selected ligands revealed significant stabilization of the receptor-binding regions. Stabilization of the co-receptor-binding region was associated with a marked increase in on-rate of ligand binding to this site as determined by surface plasmon resonance. Rabbit immunization studies showed that the conformational stabilization of core proteins, along with increased ligand affinity, was associated with strikingly enhanced humoral immune responses against the co-receptor-binding site. These results demonstrate that structure-based approaches can be exploited to stabilize a conformational site in a large functional protein to enhance immunogenic responses specific for that region.

Structure and stability of semiconductor tip apexes for atomic force microscopy

International Nuclear Information System (INIS)

Pou, P; Perez, R; Ghasemi, S A; Goedecker, S; Jelinek, P; Lenosky, T

2009-01-01

The short range force between the tip and the surface atoms, that is responsible for atomic-scale contrast in atomic force microscopy (AFM), is mainly controlled by the tip apex. Thus, the ability to image, manipulate and chemically identify single atoms in semiconductor surfaces is ultimately determined by the apex structure and its composition. Here we present a detailed and systematic study of the most common structures that can be expected at the apex of the Si tips used in experiments. We tackle the determination of the structure and stability of Si tips with three different approaches: (i) first principles simulations of small tip apexes; (ii) simulated annealing of a Si cluster; and (iii) a minima hopping study of large Si tips. We have probed the tip apexes by making atomic contacts between the tips and then compared force-distance curves with the experimental short range forces obtained with dynamic force spectroscopy. The main conclusion is that although there are multiple stable solutions for the atomically sharp tip apexes, they can be grouped into a few types with characteristic atomic structures and properties. We also show that the structure of the last atomic layers in a tip apex can be both crystalline and amorphous. We corroborate that the atomically sharp tips are thermodynamically stable and that the tip-surface interaction helps to produce the atomic protrusion needed to get atomic resolution.

Micro-ring structures stabilize microdroplets to enable long term spheroid culture in 384 hanging drop array plates.

Science.gov (United States)

Hsiao, Amy Y; Tung, Yi-Chung; Kuo, Chuan-Hsien; Mosadegh, Bobak; Bedenis, Rachel; Pienta, Kenneth J; Takayama, Shuichi

2012-04-01

Using stereolithography, 20 different structural variations comprised of millimeter diameter holes surrounded by trenches, plateaus, or micro-ring structures were prepared and tested for their ability to stably hold arrays of microliter sized droplets within the structures over an extended period of time. The micro-ring structures were the most effective in stabilizing droplets against mechanical and chemical perturbations. After confirming the importance of micro-ring structures using rapid prototyping, we developed an injection molding tool for mass production of polystyrene 3D cell culture plates with an array of 384 such micro-ring surrounded through-hole structures. These newly designed and injection molded polystyrene 384 hanging drop array plates with micro-rings were stable and robust against mechanical perturbations as well as surface fouling-facilitated droplet spreading making them capable of long term cell spheroid culture of up to 22 days within the droplet array. This is a significant improvement over previously reported 384 hanging drop array plates which are susceptible to small mechanical shocks and could not reliably maintain hanging drops for longer than a few days. With enhanced droplet stability, the hanging drop array plates with micro-ring structures provide better platforms and open up new opportunities for high-throughput preparation of microscale 3D cell constructs for drug screening and cell analysis.

A Method to Predict the Structure and Stability of RNA/RNA Complexes.

Science.gov (United States)

Xu, Xiaojun; Chen, Shi-Jie

2016-01-01

RNA/RNA interactions are essential for genomic RNA dimerization and regulation of gene expression. Intermolecular loop-loop base pairing is a widespread and functionally important tertiary structure motif in RNA machinery. However, computational prediction of intermolecular loop-loop base pairing is challenged by the entropy and free energy calculation due to the conformational constraint and the intermolecular interactions. In this chapter, we describe a recently developed statistical mechanics-based method for the prediction of RNA/RNA complex structures and stabilities. The method is based on the virtual bond RNA folding model (Vfold). The main emphasis in the method is placed on the evaluation of the entropy and free energy for the loops, especially tertiary kissing loops. The method also uses recursive partition function calculations and two-step screening algorithm for large, complicated structures of RNA/RNA complexes. As case studies, we use the HIV-1 Mal dimer and the siRNA/HIV-1 mutant (T4) to illustrate the method.

Probing the 3-D Structure, Dynamics, and Stability of Bacterial Collagenase Collagen Binding Domain (apo- versus holo-) by Limited Proteolysis MALDI-TOF MS

Science.gov (United States)

Sides, Cynthia R.; Liyanage, Rohana; Lay, Jackson O.; Philominathan, Sagaya Theresa Leena; Matsushita, Osamu; Sakon, Joshua

2012-03-01

Pairing limited proteolysis and matrix-assisted laser desorption/ionization-time of flight mass spectrometry (MALDI-TOF MS) to probe clostridial collagenase collagen binding domain (CBD) reveals the solution dynamics and stability of the protein, as these factors are crucial to CBD effectiveness as a drug-delivery vehicle. MS analysis of proteolytic digests indicates initial cleavage sites, thereby specifying the less stable and highly accessible regions of CBD. Modulation of protein structure and stability upon metal binding is shown through MS analysis of calcium-bound and cobalt-bound CBD proteolytic digests. Previously determined X-ray crystal structures illustrate that calcium binding induces secondary structure transformation in the highly mobile N-terminal arm and increases protein stability. MS-based detection of exposed residues confirms protein flexibility, accentuates N-terminal dynamics, and demonstrates increased global protein stability exported by calcium binding. Additionally, apo- and calcium-bound CBD proteolysis sites correlate well with crystallographic B-factors, accessibility, and enzyme specificity. MS-observed cleavage sites with no clear correlations are explained either by crystal contacts of the X-ray crystal structures or by observed differences between Molecules A and B in the X-ray crystal structures. The study newly reveals the absence of the βA strand and thus the very dynamic N-terminal linker, as corroborated by the solution X-ray scattering results. Cobalt binding has a regional effect on the solution phase stability of CBD, as limited proteolysis data implies the capture of an intermediate-CBD solution structure when cobalt is bound.

Alkaline hydrogen peroxide treatment for TiO{sub 2} nanoparticles with superior water-dispersibility and visible-light photocatalytic activity

Energy Technology Data Exchange (ETDEWEB)

Wu, Chung-Yi; Tu, Kuan-Ju; Lo, Yu-Shiu [Department of Biomedical Engineering and Environmental Sciences, College of Nuclear Science, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Pang, Yean Ling [Department of Chemical Engineering, Lee Kong Chian Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, 43000 Kajang, Selangor (Malaysia); Wu, Chien-Hou, E-mail: chwu@mx.nthu.edu.tw [Department of Biomedical Engineering and Environmental Sciences, College of Nuclear Science, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

2016-09-15

Alkaline hydrogen peroxide treatment was proposed as a simple and green way to improve the performance of commercial TiO{sub 2} powder for water-dispersibility and visible-light photocatalytic activity on the degradation of dye pollutants. The performance of treated TiO{sub 2} was evaluated as a function of NaOH concentration, H{sub 2}O{sub 2} concentration, and treatment time. The optimal conditions were determined to be 24 h in 100 mM H{sub 2}O{sub 2} and 8 M NaOH. The treated samples were characterized by Raman spectroscopy, high-resolution transmission electron microscopy (HR-TEM), X-ray photoelectron spectroscopy (XPS), dynamic light scattering (DLS), Fourier transform infrared spectroscopy (FTIR), and ultraviolet–visible spectrophotometry. The analysis revealed that the crystal structure, morphology, and absorption band gap were retained, but the surface of the treated TiO{sub 2} was dramatically changed. The treated TiO{sub 2} was highly dispersible with a uniform hydrodynamic size of 41 ± 12 nm and stable over months in water at pH 3 without any stabilizing ligand and could significantly enhance the visible-light photodegradation of dye pollutants. The superior performance might be attributed to the formation of abundant surface hydroxyl groups. This treatment paves the way for developing water-dispersible TiO{sub 2} with superior visible-light induced photocatalytic degradation of dye pollutants without any complicated and expensive surface modification. - Highlights: • Alkaline hydrogen peroxide is proposed to treat commercial TiO{sub 2} powder. • The treated TiO{sub 2} powder exhibits superior water-dispersibility with a uniform size distribution. • The treated TiO{sub 2} powder can significantly enhance the visible-light photodegradation of dyes.

Influence of flocculating agents and structural vehicles on the physical stability and rheological behavior of nitrofurantoin suspension.

Science.gov (United States)

Moghimipour, Eskandar; Salimi, Anayatollah; Rezaee, Saeed; Balack, Maryam; Handali, Somayeh

2014-05-01

Nitrofurantoin is a nitrofuran antibiotic that has been used for treatment of urinary tract against positive and negative bacteria. The aim of this study was to evaluate the effect of structural vehicles and flocculating agents on physical stability and rheological behavior of nitrofurantoin suspension. To formulate the suspensions, the effect of glycerin and polysorbate 80 as wetting agents was evaluated and their particle sizes were determined using the sieve method. Then to achieve controlled flocculation, sodium citrate and aluminum chloride were added. After choosing the suitable wetting and flocculating agents, structural vehicles such as sodium carboxyl methyl cellulose and Veegum were evaluated individually and in combination. In addition, the effect of sorbitol on density of continuous phase and some physical stability parameters such as sedimentation volume, degree of flocculation and ease of redispersion of the suspensions were evaluated. After incorporation of structural vehicles, the rheological properties of formulations were also determined to find their flow behavior. According to the results, glycerin (0.2%) and sodium citrate (0.3%) had the best effect on the suspension stability as wetting and flocculating agents, respectively. Rheological properties of formulations showed pseudoplastic behavior with some degree of thixotropy. In conclusion, the suspension containing Veegum 1%, sodium carboxy methyl cellulose 1%, glycerine 0.2%, sodium citrate 0.3% and sorbitol 20 % was chosen as the most physically stable formulation.

Modeling and simulation of adaptive Neuro-fuzzy based intelligent system for predictive stabilization in structured overlay networks

Directory of Open Access Journals (Sweden)

Ramanpreet Kaur

2017-02-01

Full Text Available Intelligent prediction of neighboring node (k well defined neighbors as specified by the dht protocol dynamism is helpful to improve the resilience and can reduce the overhead associated with topology maintenance of structured overlay networks. The dynamic behavior of overlay nodes depends on many factors such as underlying user’s online behavior, geographical position, time of the day, day of the week etc. as reported in many applications. We can exploit these characteristics for efficient maintenance of structured overlay networks by implementing an intelligent predictive framework for setting stabilization parameters appropriately. Considering the fact that human driven behavior usually goes beyond intermittent availability patterns, we use a hybrid Neuro-fuzzy based predictor to enhance the accuracy of the predictions. In this paper, we discuss our predictive stabilization approach, implement Neuro-fuzzy based prediction in MATLAB simulation and apply this predictive stabilization model in a chord based overlay network using OverSim as a simulation tool. The MATLAB simulation results present that the behavior of neighboring nodes is predictable to a large extent as indicated by the very small RMSE. The OverSim based simulation results also observe significant improvements in the performance of chord based overlay network in terms of lookup success ratio, lookup hop count and maintenance overhead as compared to periodic stabilization approach.

Strategies to curb structural changes of lithium/transition metal oxide cathode materials and the changes’ effects on thermal and cycling stability

International Nuclear Information System (INIS)

Yu Xiqian; Hu Enyuan; Bak, Seongmin; Zhou Yong-Ning; Yang Xiao-Qing

2016-01-01

Structural transformation behaviors of several typical oxide cathode materials during a heating process are reviewed in detail to provide in-depth understanding of the key factors governing the thermal stability of these materials. We also discuss applying the information about heat induced structural evolution in the study of electrochemically induced structural changes. All these discussions are expected to provide valuable insights for designing oxide cathode materials with significantly improved structural stability for safe, long-life lithium ion batteries, as the safety of lithium-ion batteries is a critical issue; it is widely accepted that the thermal instability of the cathodes is one of the most critical factors in thermal runaway and related safety problems. (topical review)

Constraint Network Analysis (CNA): a Python software package for efficiently linking biomacromolecular structure, flexibility, (thermo-)stability, and function.

Science.gov (United States)

Pfleger, Christopher; Rathi, Prakash Chandra; Klein, Doris L; Radestock, Sebastian; Gohlke, Holger

2013-04-22

For deriving maximal advantage from information on biomacromolecular flexibility and rigidity, results from rigidity analyses must be linked to biologically relevant characteristics of a structure. Here, we describe the Python-based software package Constraint Network Analysis (CNA) developed for this task. CNA functions as a front- and backend to the graph-based rigidity analysis software FIRST. CNA goes beyond the mere identification of flexible and rigid regions in a biomacromolecule in that it (I) provides a refined modeling of thermal unfolding simulations that also considers the temperature-dependence of hydrophobic tethers, (II) allows performing rigidity analyses on ensembles of network topologies, either generated from structural ensembles or by using the concept of fuzzy noncovalent constraints, and (III) computes a set of global and local indices for quantifying biomacromolecular stability. This leads to more robust results from rigidity analyses and extends the application domain of rigidity analyses in that phase transition points ("melting points") and unfolding nuclei ("structural weak spots") are determined automatically. Furthermore, CNA robustly handles small-molecule ligands in general. Such advancements are important for applying rigidity analysis to data-driven protein engineering and for estimating the influence of ligand molecules on biomacromolecular stability. CNA maintains the efficiency of FIRST such that the analysis of a single protein structure takes a few seconds for systems of several hundred residues on a single core. These features make CNA an interesting tool for linking biomacromolecular structure, flexibility, (thermo-)stability, and function. CNA is available from http://cpclab.uni-duesseldorf.de/software for nonprofit organizations.

Two-Degrees of Freedom and Variable Structure Controllers for Induction Motor Drives

Directory of Open Access Journals (Sweden)

ZAKY, M.

2018-02-01

Full Text Available This paper presents a two-degrees-of-Freedom (2DOF and variable structure control (VSC schemes for induction motor (IM drives. The designed VSC incorporates independent feedback and feedforward terms as 2DOF control principle. This structure improves the response of the proposed VSC under speed reference tracking and load disturbance changes. Stability of VSC using Lyapunov theory is discussed. Due to the variable nature of the switching function of VSC, two conditions to ensure Lyapunov stability candidate are derived based on the error signal. A design criterion for the parameters of VSC are introduced to guarantee the stability. The complete IM drive system with the proposed VSC controller is built using MATLAB/Simulink. A laboratory prototype is executed experimentally using DSP-DS1104 control board. All controllers are implemented practically. Simulation and experimental results are provided under different working conditions. Performance evaluation of classic control schemes and the proposed VSC approach is presented. The proposed VSC approach gives superior behavior under speed reference variations and torque disturbances. The disturbances using the proposed controller are strongly suppressed compared to classic 2DOF control scheme.

Polyallylamine-Rh nanosheet nanoassemblies-carbon nanotubes organic-inorganic nanohybrids: A electrocatalyst superior to Pt for the hydrogen evolution reaction

Science.gov (United States)

Bai, Juan; Xing, Shi-Hui; Zhu, Ying-Ying; Jiang, Jia-Xing; Zeng, Jing-Hui; Chen, Yu

2018-05-01

Rationally tailoring the surface/interface structures of noble metal nanostructures emerges as a highly efficient method for improving their electrocatalytic activity, selectivity, and long-term stability. Recently, hydrogen evolution reaction is attracting more and more attention due to the energy crisis and environment pollution. Herein, we successfully synthesize polyallylamine-functionalized rhodium nanosheet nanoassemblies-carbon nanotube nanohybrids via a facile one-pot hydrothermal method. Three-dimensionally branched rhodium nanosheet nanoassemblies are consisted of two dimensionally atomically thick ultrathin rhodium nanosheets. The as-prepared polyallylamine-functionalized rhodium nanosheet nanoassemblies-carbon nanotube nanohybrids show the excellent electrocatalytic activity for the hydrogen evolution reaction in acidic media, with a low onset reduction potential of -1 mV, a small overpotential of 5 mV at 10 mA cm-2, which is much superior to commercial platinum nanocrystals. Two dimensionally ultrathin morphology of rhodium nanosheet, particular rhodium-polyallylamine interface, and three-dimensionally networks induced by carbon nanotube are the key factors for the excellent hydrogen evolution reaction activity in acidic media.

Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases

Energy Technology Data Exchange (ETDEWEB)

Ren, Zhibo [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Liu, Ning [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Chen, Biaohua [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Li, Jianwei [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Mei, Donghai [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

2018-01-25

Understanding the structural stability and dynamics at the interface between the solid metal oxide and aqueous phase is significant in a variety of industrial applications including heterogeneous catalysis and environmental remediation. In the present work, the stabilities of three low-index ceria (CeO2) surfaces, i.e., (111), (110) and (100) in vapor and aqueous phases were studied using ab initio molecular dynamics simulations and density functional theory (DFT) calculations. Gibbs surface free energies as a function of temperature, water partial pressure, and water coverages were calculated using DFT based atomistic thermodynamic approach. On the basis of surface free energies, the morphology and exposed surface structures of the CeO2 nanoparticle were predicted using Wulff construction principle. It is found that the partially hydroxylated (111) and (100) are two major surface structures of CeO2 nanoparticles in vapor phase at ambient temperature (300 K). As the temperature increases, the fully dehydrated (111) surface gradually becomes the most dominant surface structure. While in aqueous phase, the exposed surface of the CeO2 nanoparticle is dominated by the hydroxylated (110) structure at 393 K. Finally, the morphology and stability of a cuboctahedron Pt13 nanocluster supported on CeO2 surfaces in both gas and aqueous phases were investigated. In gas phase, the supported Pt13 nanocluster has the tendency to wetting the CeO2 surface due to the strong metal-support interaction. The calculated interaction energies suggest the CeO2(110) surface provides the best stability for the Pt13 nanocluster. The CeO2 supported Pt13 nanoclusters are oxidized. Compared to the gas phase, the morphology of the CeO2 supported Pt13 nanocluster is less distorted due to the solvation effect provided by surrounding water molecules in aqueous phase. More electrons are transferred from the Pt13 nanocluster to the CeO2 support, implying the supported Pt13 nanocluster is further

Synchronisation and stability in river metapopulation networks.

Science.gov (United States)

Yeakel, J D; Moore, J W; Guimarães, P R; de Aguiar, M A M

2014-03-01

Spatial structure in landscapes impacts population stability. Two linked components of stability have large consequences for persistence: first, statistical stability as the lack of temporal fluctuations; second, synchronisation as an aspect of dynamic stability, which erodes metapopulation rescue effects. Here, we determine the influence of river network structure on the stability of riverine metapopulations. We introduce an approach that converts river networks to metapopulation networks, and analytically show how fluctuation magnitude is influenced by interaction structure. We show that river metapopulation complexity (in terms of branching prevalence) has nonlinear dampening effects on population fluctuations, and can also buffer against synchronisation. We conclude by showing that river transects generally increase synchronisation, while the spatial scale of interaction has nonlinear effects on synchronised dynamics. Our results indicate that this dual stability - conferred by fluctuation and synchronisation dampening - emerges from interaction structure in rivers, and this may strongly influence the persistence of river metapopulations. © 2013 John Wiley & Sons Ltd/CNRS.

On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.

Science.gov (United States)

Poppe, Leszek; Jordan, John B; Rogers, Gary; Schnier, Paul D

2015-06-02

An important aspect in the analytical characterization of protein therapeutics is the comprehensive characterization of higher order structure (HOS). Nuclear magnetic resonance (NMR) is arguably the most sensitive method for fingerprinting HOS of a protein in solution. Traditionally, (1)H-(15)N or (1)H-(13)C correlation spectra are used as a "structural fingerprint" of HOS. Here, we demonstrate that protein fingerprint by line shape enhancement (PROFILE), a 1D (1)H NMR spectroscopy fingerprinting approach, is superior to traditional two-dimensional methods using monoclonal antibody samples and a heavily glycosylated protein therapeutic (Epoetin Alfa). PROFILE generates a high resolution structural fingerprint of a therapeutic protein in a fraction of the time required for a 2D NMR experiment. The cross-correlation analysis of PROFILE spectra allows one to distinguish contributions from HOS vs protein heterogeneity, which is difficult to accomplish by 2D NMR. We demonstrate that the major analytical limitation of two-dimensional methods is poor selectivity, which renders these approaches problematic for the purpose of fingerprinting large biological macromolecules.

Novel layered polyaniline-poly(hydroquinone)/graphene film as supercapacitor electrode with enhanced rate performance and cycling stability.

Science.gov (United States)

Ren, Lijun; Zhang, Gaini; Lei, Ji; Wang, Yan; Hu, Dengwei

2018-02-15

It is a challenge to fabricate polyaniline (PANI) materials with high rate performance and excellent stability. Herein a new special supercapacitor electrode material of polyaniline-poly(hydroquinone)/graphene (PANI-PHQ/RGO) film with layered structure was prepared by chemical oxidative polymerization of aniline and hydroquinone (H 2 Q) in the presence of RGO hydrogel film. The synergistic effect and loose layered structure of the composite film facilitate fast diffusion and transportation of electrolyte ions through unimpeded channels during rapid charge-discharge process, resulting in high rate capability and stable cycling performance. As a result, the PANI-PHQ/RGO-61 film electrode exhibited 356 F g -1 at a current density of 0.5 A g -1 and high capacitance retention of 83% from 0.5 to 30 A g -1 . Moreover, it presented an excellent cycling stability with 94% of capacitance retention in comparison with 60% of pure PANI electrode and an outstanding Coulombic efficiency of 99% after 1000 cycles of galvanostatic charge-discharge. These superior electrocapacitive properties make it one of promising candidates for electrochemical energy storage. Copyright © 2017 Elsevier Inc. All rights reserved.

Superior versus inferior Ahmed glaucoma valve implantation.

Science.gov (United States)

Pakravan, Mohammad; Yazdani, Shahin; Shahabi, Camelia; Yaseri, Mehdi

2009-02-01

To compare the efficacy and safety of Ahmed glaucoma valve (AGV) (New World Medical Inc., Rancho Cucamonga, CA) implantation in the superior versus inferior quadrants. Prospective parallel cohort study. A total of 106 eyes of 106 patients with refractory glaucoma. Consecutive patients with refractory glaucoma underwent AGV implantation in the superior or inferior quadrants. Main outcome measures included intraocular pressure (IOP) and rate of complications. Other outcome measures included best corrected visual acuity (BCVA), number of glaucoma medications, and success rate (defined as at least 30% IOP reduction and 5glaucoma surgery, phthisis bulbi, or loss of light perception. Of a total of 106 eyes, 58 and 48 eyes underwent AGV implantation in the superior and inferior quadrants, respectively. Baseline characteristics were comparable in the study groups, except for preoperative IOP, which was higher in the superior group (P = 0.01). Patients were followed for a mean period of 10.6+/-8.49 months and 10.58+/-6.75 months in the superior and inferior groups, respectively (P = 0.477). BCVA was comparable between the groups at all postoperative visits (P>0.122). After 1 year, statistically significant but comparable IOP reduction from baseline (Pglaucoma medications was comparable after 1 year (1.3+/-1.2 vs. 1.9+/-0.8 for superior and inferior implants, respectively, P = 0.256). Success rates were also similar at 1 year: 27 eyes (81.8%) versus 20 eyes (95.2%) for superior and inferior implants, respectively (P = 0.227). However, the overall rate of complications, such as implant exposure necessitating removal, cosmetically unappealing appearance, and endophthalmitis, was higher in the inferior group: 12 eyes (25%) versus 3 eyes (5.2%) for superior and inferior groups, respectively, (P = 0.004). Superior and inferior AGV implants have similar intermediate efficacy in terms of IOP reduction, decrease in number of glaucoma medications, and preservation of vision. However

Photocatalytic property and structural stability of CuAl-based layered double hydroxides

International Nuclear Information System (INIS)

Lv, Ming; Liu, Haiqiang

2015-01-01

Three types of CuMAl layered double hydroxides (LDHs, M=Mg, Zn, Ni) were successfully synthesized by coprecipitation. Powder X-ray diffraction (XRD), inductively coupled plasma atomic emission spectrometry (ICP-AES) and UV–Vis diffuse reflectance spectrum (UV–vis) were used to confirm the formation of as-synthesized solids with good crystal structure. The photocatalytic activity of those LDH materials for CO 2 reduction under visible light was investigated. The experimental results show that CuNiAl-LDHs with narrowest band gap and largest surface areas behave highest efficiency for methanol generation under visible light compared with CuMgAl-LDHs and CuZnAl-LDHs. The CuNiAL-LDH showed high yield for methanol production i.e. 0.210 mmol/g h, which was high efficient. In addition, the influence of the different M 2+ on the structures and stability of the CuMAl-LDHs was also investigated by analyzing the geometric parameters, electronic arrangement, charge populations, hydrogen-bonding, and binding energies by density functional theory (DFT) analysis. The theoretical calculation results show that the chemical stability of LDH materials followed the order of CuMgAl-LDHs>CuZnAl-LDHs>CuNiAl-LDHs, which is just opposite with the photocatalytic activity and band gaps of three materials. - Graphical abstract: The host–guest calculation models and XRD patterns of CuMAl-LDHs: CuMgAl-LDHs (a), CuZnAl-LDHs (b) and CuNiAl-LDHs (c). - Highlights: • Three types of CuMAl layered double hydroxides (LDHs, M=Mg, Zn, Ni) has been synthesized. • CuMgNi shows narrower band gap and more excellent textural properties than other LDHs. • The band gap: CuMgAlstability and lowest photocatalytic activity, while CuNiAl just opposite

Multivariate stability of force-reflecting teleoperation: Structures of finite and infinite zeros

International Nuclear Information System (INIS)

Daniel, R.W.; McAree, P.R.

2000-01-01

This paper presents a stability analysis of force-position teleoperation under general end-effector contact. The analysis is based on the finite and infinite zero structure of the multivariable root-locus resulting from modulation of the environment stiffness. The starting point is an analysis of the stability of robot force control, motivated by the observation that the human-operator in a force reflection loop acts as a force servo, generating position commands in response to reflected force. Asymptotic root loci properties are used to establish passivity conditions on force feedback to give root locus interpretations of the well-known results that (1) feedback via the inverse joint Jacobian can lead to (kinematic) instability and that (2) passivity is preserved by kinematically proper force feedback through the transpose of the joint angle Jacobian. It is demonstrated that a fully constrained force-position teleoperation loop has an identical infinite zero structure to that of a slave manipulation under kinematically proper force control and that the dominant vibration modes of a force-position loop are fully described by a multivariable analogue of the single-input single-output pseudo-system investigated in a study by Daniel and McAree. Extension of the analysis to cover partial end-effector constraint provides a design tool for teleoperation control and serves to aid selection of teleoperation slate-arms. The paper concludes by giving a passivity condition for multiple-input multiple-output force-position teleoperation for stable contact against all environments

Superhydrophobicity of biological and technical surfaces under moisture condensation: stability in relation to surface structure.

Science.gov (United States)

Mockenhaupt, Bernd; Ensikat, Hans-Jürgen; Spaeth, Manuel; Barthlott, Wilhelm

2008-12-02

The stability of superhydrophobic properties of eight plants and four technical surfaces in respect to water condensation has been compared. Contact and sliding angles were measured after application of water drops of ambient temperature (20 degrees C) onto cooled surfaces. Water evaporating from the drops condensed, due to the temperature difference between the drops and the surface, on the cooled samples, forming "satellite droplets" in the vicinity of the drops. Surface cooling to 15, 10, and 5 degrees C showed a gradual decrease of superhydrophobicity. The decrease was dependent on the specific surface architecture of the sample. The least decrease was found on hierarchically structured surfaces with a combination of a coarse microstructure and submicrometer-sized structures, similar to that of the Lotus leaf. Control experiments with glycerol droplets, which show no evaporation, and thus no condensation, were carried out to verify that the effects with water were caused by condensation from the drop (secondary condensation). Furthermore, the superhydrophobic properties after condensation on cooled surfaces from a humid environment for 10 min were examined. After this period, the surfaces were covered with spherical water droplets, but most samples retained their superhydrophobicity. Again, the best stability of the water-repellent properties was found on hierarchically structured surfaces similar to that of the Lotus leaf.

Improving the apo-state detergent stability of NTS1 with CHESS for pharmacological and structural studies.

Science.gov (United States)

Scott, Daniel J; Kummer, Lutz; Egloff, Pascal; Bathgate, Ross A D; Plückthun, Andreas

2014-11-01

The largest single class of drug targets is the G protein-coupled receptor (GPCR) family. Modern high-throughput methods for drug discovery require working with pure protein, but this has been a challenge for GPCRs, and thus the success of screening campaigns targeting soluble, catalytic protein domains has not yet been realized for GPCRs. Therefore, most GPCR drug screening has been cell-based, whereas the strategy of choice for drug discovery against soluble proteins is HTS using purified proteins coupled to structure-based drug design. While recent developments are increasing the chances of obtaining GPCR crystal structures, the feasibility of screening directly against purified GPCRs in the unbound state (apo-state) remains low. GPCRs exhibit low stability in detergent micelles, especially in the apo-state, over the time periods required for performing large screens. Recent methods for generating detergent-stable GPCRs, however, offer the potential for researchers to manipulate GPCRs almost like soluble enzymes, opening up new avenues for drug discovery. Here we apply cellular high-throughput encapsulation, solubilization and screening (CHESS) to the neurotensin receptor 1 (NTS1) to generate a variant that is stable in the apo-state when solubilized in detergents. This high stability facilitated the crystal structure determination of this receptor and also allowed us to probe the pharmacology of detergent-solubilized, apo-state NTS1 using robotic ligand binding assays. NTS1 is a target for the development of novel antipsychotics, and thus CHESS-stabilized receptors represent exciting tools for drug discovery. Copyright © 2014 Elsevier B.V. All rights reserved.

Black Carbon (Biochar) In Water/Soil Environments: Molecular Structure, Sorption, Stability, and Potential Risk.

Science.gov (United States)

Lian, Fei; Xing, Baoshan

2017-12-05

Black carbon (BC) is ubiquitous in the environments and participates in various biogeochemical processes. Both positive and negative effects of BC (especially biochar) on the ecosystem have been identified, which are mainly derived from its diverse physicochemical properties. Nevertheless, few studies systematically examined the linkage between the evolution of BC molecular structure with the resulted BC properties, environmental functions as well as potential risk, which is critical for understanding the BC environmental behavior and utilization as a multifunctional product. Thus, this review highlights the molecular structure evolution of BC during pyrolysis and the impact of BC physicochemical properties on its sorption behavior, stability, and potential risk in terrestrial and aqueous ecosystems. Given the wide application of BC and its important role in biogeochemical processes, future research should focus on the following: (1) establishing methodology to more precisely predict and design BC properties on the basis of pyrolysis and phase transformation of biomass; (2) developing an assessment system to evaluate the long-term effect of BC on stabilization and bioavailability of contaminants, agrochemicals, and nutrient elements in soils; and (3) elucidating the interaction mechanisms of BC with plant roots, microorganisms, and soil components.

Eckert and Davis Grade 3 Superior Peroneal Retinaculum Injury: Treated by Endoscopic Peroneal Retinaculum Reconstruction and Complicated by Malposition of the Suture Anchors.

Science.gov (United States)

Lui, T H

2015-01-01

Eckert and Davis grade 3 superior peroneal retinaculum injury is rare and the optimal treatment is not yet determined. A 57 year-old lady sprained her left ankle resulting in grade 3 injury of the superior peroneal retinaculum and was treated by endoscopic retinaculum reconstruction. The fracture healed and the peroneal tendons were stabilized. However, it was complicated by protusion of the suture anchors into the posterolateral ankle gutter. The implants were successfully removed endoscopically. Proper selection of the size and dimension of the suture anchor and preoperative planning with computed tomogram is important for usage of suture anchors in the lateral malleolus.

Enhanced structural stability of DNA origami nanostructures by graphene encapsulation

International Nuclear Information System (INIS)

Matković, Aleksandar; Vasić, Borislav; Pešić, Jelena; Gajić, Radoš; Prinz, Julia; Bald, Ilko; Milosavljević, Aleksandar R

2016-01-01

We demonstrate that a single-layer graphene replicates the shape of DNA origami nanostructures very well. It can be employed as a protective layer for the enhancement of structural stability of DNA origami nanostructures. Using the AFM based manipulation, we show that the normal force required to damage graphene encapsulated DNA origami nanostructures is over an order of magnitude greater than for the unprotected ones. In addition, we show that graphene encapsulation offers protection to the DNA origami nanostructures against prolonged exposure to deionized water, and multiple immersions. Through these results we demonstrate that graphene encapsulated DNA origami nanostructures are strong enough to sustain various solution phase processing, lithography and transfer steps, thus extending the limits of DNA-mediated bottom-up fabrication. (paper)

Studies on electronic structure of interfaces between Ag and gelatin for stabilization of Ag nanoparticles

International Nuclear Information System (INIS)

Tani, Tadaaki; Uchida, Takayuki

2015-01-01

Extremely high stability of Ag nanoparticles in photographic materials has forced us to study the electronic structures of the interfaces between thin layers of Ag, Au, and Pt and their surface membranes in ambient atmosphere by photoelectron yield spectroscopy in air and Kelvin probe method. Owing to the Fermi level equalization between a metal layer and a membrane coming from air, the electron transfer took place from the membrane to Pt and Au layers and from an Ag layer to the membrane, giving the reason for poor stability of Ag nanoparticles in air. The control of the Fermi level of an Ag layer with respect to that of a gelatin membrane in air could be widely made according to Nernst's equation by changing the pH and pAg values of an aqueous gelatin solution used to form the membrane, and thus available to stabilize Ag nanoparticles in a gelatin matrix. (author)

The flow field structure of highly stabilized partially premixed flames in a concentric flow conical nozzle burner with coflow

KAUST Repository

Elbaz, Ayman M.

2015-08-29

The stability limits, the stabilization mechanism, and the flow field structure of highly stabilized partially premixed methane flames in a concentric flow conical nozzle burner with air co-flow have been investigated and presented in this work. The stability map of partial premixed flames illustrates that the flames are stable between two extinction limits. A low extinction limit when partial premixed flames approach non-premixed flame conditions, and a high extinction limit, with the partial premixed flames approach fully premixed flame conditions. These two limits showed that the most stable flame conditions are achieved at a certain degree of partial premixed. The stability is improved by adding air co-flow. As the air co-flow velocity increases the most stable flames are those that approach fully premixed. The turbulent flow field of three flames at 0, 5, 10 m/s co-flow velocity are investigated using Stereo Particle Image Velocimetry (SPIV) in order to explore the improvement of the flame stability due to the use of air co-flow. The three flames are all at a jet equivalence ratio (Φj) of 2, fixed level of partial premixing and jet Reynolds number (Rej) of 10,000. The use of co-flow results in the formation of two vortices at the cone exit. These vortices act like stabilization anchors for the flames to the nozzle tip. With these vortices in the flow field, the reaction zone shifts toward the reduced turbulence intensity at the nozzle rim of the cone. Interesting information about the structure of the flow field with and without co-flow are identified and reported in this work.

Absent right superior caval vein in situs solitus

DEFF Research Database (Denmark)

Lytzen, Rebekka; Sundberg, Karin; Vejlstrup, Niels

2015-01-01

Introduction In up to 0.07% of the general population, the right anterior cardinal vein obliterates and the left remains open, creating an absent right superior caval vein and a persistent left superior caval vein. Absent right superior caval vein is associated with additional congenital heart...... disease in about half the patients. We wished to study the consequences of absent right superior caval vein as an incidental finding on prenatal ultrasonic malformation screening. Material and methods This is a retrospective case series study of all foetuses diagnosed with absent right superior caval vein...... no postnatal complications. All children were found to have healthy hearts at follow-up. CONCLUSIONS: In all cases, the findings proved to be a benign condition with no clinical manifestations or complications. Although isolated absent right superior caval vein does not seem to affect the outcome, associated...

Microencapsulation structures based on protein-coated liposomes obtained through electrospraying for the stabilization and improved bioaccessibility of curcumin.

Science.gov (United States)

Gómez-Mascaraque, Laura G; Casagrande Sipoli, Caroline; de La Torre, Lucimara Gaziola; López-Rubio, Amparo

2017-10-15

Novel food-grade hybrid encapsulation structures based on the entrapment of phosphatidylcholine liposomes, within a WPC matrix through electrospraying, were developed and used as delivery vehicles for curcumin. The loading capacity and encapsulation efficiency of the proposed system was studied, and the suitability of the approach to stabilize curcumin and increase its bioaccessibility was assessed. Results showed that the maximum loading capacity of the liposomes was around 1.5% of curcumin, although the loading capacity of the hybrid microencapsulation structures increased with the curcumin content by incorporation of curcumin microcrystals upon electrospraying. Microencapsulation of curcumin within the proposed hybrid structures significantly increased its bioaccessibility (∼1.7-fold) compared to the free compound, and could successfully stabilize it against degradation in PBS (pH=7.4). The proposed approach thus proved to be a promising alternative to produce powder-like functional ingredients. Copyright © 2017 Elsevier Ltd. All rights reserved.

Structural and Electrochemical Study of Vanadium-Doped TiO2 Ramsdellite with Superior Lithium Storage Properties for Lithium-Ion Batteries.

Science.gov (United States)

Pérez-Flores, Juan Carlos; Hoelzel, Markus; García-Alvarado, Flaviano; Kuhn, Alois

2016-04-04

Titanium-oxide-based materials are considered attractive and safe alternatives to carbonaceous anodes in Li-ion batteries. In particular, the ramsdellite form TiO2 (R) is known for its superior lithium-storage ability as the bulk material when compared with other titanates. In this work, we prepared V-doped lithium titanate ramsdellites with the formula Li0.5 Ti1-x Vx O2 (0≤x≤0.5) by a conventional solid-state reaction. The lithium-free Ti1-x Vx O2 compounds, in which the ramsdellite framework remains virtually unaltered, are easily obtained by a simple aqueous oxidation/ion-extraction process. Neutron powder diffraction is used to locate the Li channel site in Li0.5 Ti1-x Vx O2 compounds and to follow the lithium extraction by difference-Fourier maps. Previously delithiated Ti1-x Vx O2 ramsdellites are able to insert up to 0.8 Li(+) per transition-metal atom. The initial gravimetric capacities of 270 mAh g(-1) with good cycle stability under constant current discharge conditions are among the highest reported for bulk TiO2 -related intercalation compounds for the threshold of one e(-) per formula unit. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of pea protein aggregates on the structure and stability of pea protein/soybean polysaccharide complex emulsions.

Science.gov (United States)

Yin, Baoru; Zhang, Rujing; Yao, Ping

2015-03-20

The applications of plant proteins in the food and beverage industry have been hampered by their precipitation in acidic solution. In this study, pea protein isolate (PPI) with poor dispersibility in acidic solution was used to form complexes with soybean soluble polysaccharide (SSPS), and the effects of PPI aggregates on the structure and stability of PPI/SSPS complex emulsions were investigated. Under acidic conditions, high pressure homogenization disrupts the PPI aggregates and the electrostatic attraction between PPI and SSPS facilitates the formation of dispersible PPI/SSPS complexes. The PPI/SSPS complex emulsions prepared from the PPI containing aggregates prove to possess similar droplet structure and similar stability compared with the PPI/SSPS emulsions produced from the PPI in which the aggregates have been previously removed by centrifugation. The oil droplets are protected by PPI/SSPS complex interfacial films and SSPS surfaces. The emulsions show long-term stability against pH and NaCl concentration changes. This study demonstrates that PPI aggregates can also be used to produce stable complex emulsions, which may promote the applications of plant proteins in the food and beverage industry.

Influence of Pea Protein Aggregates on the Structure and Stability of Pea Protein/Soybean Polysaccharide Complex Emulsions

Directory of Open Access Journals (Sweden)

Baoru Yin

2015-03-01

Full Text Available The applications of plant proteins in the food and beverage industry have been hampered by their precipitation in acidic solution. In this study, pea protein isolate (PPI with poor dispersibility in acidic solution was used to form complexes with soybean soluble polysaccharide (SSPS, and the effects of PPI aggregates on the structure and stability of PPI/SSPS complex emulsions were investigated. Under acidic conditions, high pressure homogenization disrupts the PPI aggregates and the electrostatic attraction between PPI and SSPS facilitates the formation of dispersible PPI/SSPS complexes. The PPI/SSPS complex emulsions prepared from the PPI containing aggregates prove to possess similar droplet structure and similar stability compared with the PPI/SSPS emulsions produced from the PPI in which the aggregates have been previously removed by centrifugation. The oil droplets are protected by PPI/SSPS complex interfacial films and SSPS surfaces. The emulsions show long-term stability against pH and NaCl concentration changes. This study demonstrates that PPI aggregates can also be used to produce stable complex emulsions, which may promote the applications of plant proteins in the food and beverage industry.

Information Superiority generated through proper application of Geoinformatics

Science.gov (United States)

Teichmann, F.

2012-04-01

Information Superiority generated through proper application of Geoinformatics Information management and especially geoscience information delivery is a very delicate task. If it is carried out successfully, geoscientific data will provide the main foundation of Information Superiority. However, improper implementation of geodata generation, assimilation, distribution or storage will not only waste valuable resources like manpower or money, but could also give rise to crucial deficiency in knowledge and might lead to potentially extremely harmful disasters or wrong decisions. Comprehensive Approach, Effect Based Operations and Network Enabled Capabilities are the current buzz terms in the security regime. However, they also apply to various interdisciplinary tasks like catastrophe relief missions, civil task operations or even in day to day business operations where geo-science data is used. Based on experience in the application of geoscience data for defence applications the following procedure or tool box for generating geodata should lead to the desired information superiority: 1. Understand and analyse the mission, the task and the environment for which the geodata is needed 2. Carry out a Information Exchange Requirement between the user or customer and the geodata provider 3. Implementation of current interoperability standards and a coherent metadata structure 4. Execute innovative data generation, data provision, data assimilation and data storage 5. Apply a cost-effective and reasonable data life cycle 6. Implement IT security by focusing of the three pillar concepts Integrity, Availability and Confidentiality of the critical data 7. Draft and execute a service level agreement or a memorandum of understanding between the involved parties 8. Execute a Continuous Improvement Cycle These ideas from the IT world should be transferred into the geoscience community and applied in a wide set of scenarios. A standardized approach of how to generate, provide

Effects of lysine residues on structural characteristics and stability of tau proteins

International Nuclear Information System (INIS)

Lee, Myeongsang; Baek, Inchul; Choi, Hyunsung; Kim, Jae In; Na, Sungsoo

2015-01-01

Pathological amyloid proteins have been implicated in neuro-degenerative diseases, specifically Alzheimer's, Parkinson's, Lewy-body diseases and prion related diseases. In prion related diseases, functional tau proteins can be transformed into pathological agents by environmental factors, including oxidative stress, inflammation, Aβ-mediated toxicity and covalent modification. These pathological agents are stable under physiological conditions and are not easily degraded. This un-degradable characteristic of tau proteins enables their utilization as functional materials to capturing the carbon dioxides. For the proper utilization of amyloid proteins as functional materials efficiently, a basic study regarding their structural characteristic is necessary. Here, we investigated the basic tau protein structure of wild-type (WT) and tau proteins with lysine residues mutation at glutamic residue (Q2K) on tau protein at atomistic scale. We also reported the size effect of both the WT and Q2K structures, which allowed us to identify the stability of those amyloid structures. - Highlights: • Lysine mutation effect alters the structure conformation and characteristic of tau. • Over the 15 layers both WT and Q2K models, both tau proteins undergo fractions. • Lysine mutation causes the increment of non-bonded energy and solvent accessible surface area. • Structural instability of Q2K model was proved by the number of hydrogen bonds analysis.

Effects of lysine residues on structural characteristics and stability of tau proteins

Energy Technology Data Exchange (ETDEWEB)

Lee, Myeongsang; Baek, Inchul; Choi, Hyunsung; Kim, Jae In; Na, Sungsoo, E-mail: nass@korea.ac.kr

2015-10-23

Pathological amyloid proteins have been implicated in neuro-degenerative diseases, specifically Alzheimer's, Parkinson's, Lewy-body diseases and prion related diseases. In prion related diseases, functional tau proteins can be transformed into pathological agents by environmental factors, including oxidative stress, inflammation, Aβ-mediated toxicity and covalent modification. These pathological agents are stable under physiological conditions and are not easily degraded. This un-degradable characteristic of tau proteins enables their utilization as functional materials to capturing the carbon dioxides. For the proper utilization of amyloid proteins as functional materials efficiently, a basic study regarding their structural characteristic is necessary. Here, we investigated the basic tau protein structure of wild-type (WT) and tau proteins with lysine residues mutation at glutamic residue (Q2K) on tau protein at atomistic scale. We also reported the size effect of both the WT and Q2K structures, which allowed us to identify the stability of those amyloid structures. - Highlights: • Lysine mutation effect alters the structure conformation and characteristic of tau. • Over the 15 layers both WT and Q2K models, both tau proteins undergo fractions. • Lysine mutation causes the increment of non-bonded energy and solvent accessible surface area. • Structural instability of Q2K model was proved by the number of hydrogen bonds analysis.

Chemical cross-linked polyvinyl alcohol/cellulose nanocrystal composite films with high structural stability by spraying Fenton reagent as initiator.

Science.gov (United States)

Song, Meili; Yu, Houyong; Gu, Jiping; Ye, Shounuan; Zhou, Yuwei

2018-07-01

Cross-linked polyvinyl alcohol (PVA) composite films with high structural stability were prepared by free radical copolymerization between cellulose nanocrystal (CNC) and maleic anhydride (MAH) modified PVA through spraying Fenton free radical as initiator. The influence of chemical cross-linked and physical network structure on mechanical, thermal and water absorption properties of the composite films were investigated. Compared to PVA and PVA/CNC composite film, significant improvements in the mechanical, thermal and water uptake properties of the cross-linked composite film were found. The tensile strength of the cross-linked composite film was enhanced from 23.1MPa (neat PVA film) and 32.6MPa (PVA/CNC-10%) to 42.5MPa, and the maximum thermal degradation temperature was increased from 266.8°C and 281.2°C to 366.7°C (cross-linked composite film). Besides, the water absorption was reduced from 385.9% and 220.6% to 175.7% for cross-linked composite film. It indicates that compared with physical network structure in PVA/CNC composite film, the multiple cross-linked networks showed excellent thermal stability, resistance of water swelling and structural stability at the same CNC loading level. Thus, the PVA/CNC composite film with the multiple cross-linked network shows greater property reinforcements. Copyright © 2018 Elsevier B.V. All rights reserved.

Lyapunov stability and poisson structure of the thermal TDHF and RPA equations

International Nuclear Information System (INIS)

Balian, R.; Veneroni, M.

1989-01-01

The thermal TDHF equation is analyzed in the Liouville representation of quantum mechanics, where the matrix elements of the single-particle (s.p) density ρ behave as classical dynamical variables. By introducing the Lie--Poisson bracket associated with the unitary group of the s.p. Hilbert space, we show that TDHF has a Hamiltonian, but non-canonical, classical form. Within this Poisson structure, either the s.p. energy or the s.p. grand potential Ω(ρ) act as a Hamilton function. The Lyapunov stability of both the TDHF and RPA equations around a HF state then follows, since the HF approximation for thermal equilibrium is determined by minimizing Ω(ρ). The RPA matrix in the Liouville space is expressed as the product of the Poisson tensor with the HF stability matrix, interpreted as a metric tensor generated by the entropy. This factorization displays the roles of the energy and entropy terms arising from Ω(ρ) in the RPA dynamics, and it helps to construct the RPA modes. Several extensions are considered. copyright 1989 Academic Press, Inc

Lyapunov stability and Poisson structure of the thermal TDHF and RPA equations

International Nuclear Information System (INIS)

Veneroni, M.; Balian, R.

1989-01-01

The thermal TDHF equation is analyzed in the Liouville representation of quantum mechanics, where the matrix elements of the single-particle (s.p.) density ρ behave as classical dynamical variables. By introducing the Lie-Poisson bracket associated with the unitary group of the s.p. Hilbert space, we show that TDHF has a hamiltonian, but non-canonical, classical form. Within this Poisson structure, either the s.p. energy or the s.p. grand potential Ω(ρ) act as a Hamilton function. The Lyapunov stability of both the TDHF and RPA equations around a HF state then follows, since the HF approximation for thermal equilibrium is determined by minimizing Ω(ρ). The RPA matrix in the Liouville space is expressed as the product of the Poisson tensor with the HF stability matrix, interpreted as a metric tensor generated by the entropy. This factorization displays the roles of the energy and entropy terms arising from Ω(ρ) in the RPA dynamics, and it helps to construct the RPA modes. Several extensions are considered

Accurate prediction of stability changes in protein mutants by combining machine learning with structure based computational mutagenesis.

Science.gov (United States)

Masso, Majid; Vaisman, Iosif I

2008-09-15

Accurate predictive models for the impact of single amino acid substitutions on protein stability provide insight into protein structure and function. Such models are also valuable for the design and engineering of new proteins. Previously described methods have utilized properties of protein sequence or structure to predict the free energy change of mutants due to thermal (DeltaDeltaG) and denaturant (DeltaDeltaG(H2O)) denaturations, as well as mutant thermal stability (DeltaT(m)), through the application of either computational energy-based approaches or machine learning techniques. However, accuracy associated with applying these methods separately is frequently far from optimal. We detail a computational mutagenesis technique based on a four-body, knowledge-based, statistical contact potential. For any mutation due to a single amino acid replacement in a protein, the method provides an empirical normalized measure of the ensuing environmental perturbation occurring at every residue position. A feature vector is generated for the mutant by considering perturbations at the mutated position and it's ordered six nearest neighbors in the 3-dimensional (3D) protein structure. These predictors of stability change are evaluated by applying machine learning tools to large training sets of mutants derived from diverse proteins that have been experimentally studied and described. Predictive models based on our combined approach are either comparable to, or in many cases significantly outperform, previously published results. A web server with supporting documentation is available at http://proteins.gmu.edu/automute.

Facile fabrication of cobalt oxalate nanostructures with superior specific capacitance and super-long cycling stability

Science.gov (United States)

Cheng, Guanhua; Si, Conghui; Zhang, Jie; Wang, Ying; Yang, Wanfeng; Dong, Chaoqun; Zhang, Zhonghua

2016-04-01

Transition metal oxalate materials have shown huge competitive advantages for applications in supercapacitors. Herein, nanostructured cobalt oxalate supported on cobalt foils has been facilely fabricated by anodization, and could directly serve as additive/binder-free electrodes for supercapacitors. The as-prepared cobalt oxalate electrodes present superior specific capacitance of 1269 F g-1 at the current density of 6 A g-1 in the galvanostatic charge/discharge test. Moreover, the retained capacitance is as high as 87.2% as the current density increases from 6 A g-1 to 30 A g-1. More importantly, the specific capacitance of cobalt oxalate retains 91.9% even after super-long cycling of 100,000 cycles. In addition, an asymmetric supercapacitor assembled with cobalt oxalate (positive electrode) and activated carbon (negative electrode) demonstrates excellent capacitive performance with high energy density and power density.

Lateral femoral traction pin entry: risk to the femoral artery and other medial neurovascular structures

Directory of Open Access Journals (Sweden)

Appleton Paul

2010-01-01

Full Text Available Abstract Background Femoral skeletal traction assists in the reduction and transient stabilization of pelvic, acetabular, hip, and femoral fractures when splinting is ineffective. Traditional teaching has recommended a medial entry site for insertion of the traction pin in order to minimize injury to the femoral artery as it passes through Hunter's canal. The present anatomical study evaluates the risk to the femoral artery and other medial neurovascular structures using a lateral entry approach. Methods Six embalmed cadavers (twelve femurs were obtained for dissection. Steinman pins were drilled from lateral to medial at the level of the superior pole of the patella, at 2 cm, and at 4 cm proximal to this point. Medial superficial dissection was then performed to identify the saphenous nerve, the superior medial geniculate artery, the adductor hiatus, the tendinous insertion of the adductor magnus and the femoral artery. Measurements localizing these anatomic structures relative to the pins were obtained. Results The femoral artery was relatively safe and was no closer than 29.6 mm (mean from any of the three Steinman pins. The superior medial geniculate artery was the medial structure at most risk. Conclusions Lateral femoral traction pin entry is a safe procedure with minimal risk to the saphenous nerve and femoral artery. Of the structures examined, only the superior medial geniculate artery is at a risk of iatrogenic injury due to its position. The incidence of such injury in clinical practice and its clinical significance is not known. Lateral insertion facilitates traction pin placement since it minimizes the need to move the contralateral extremity out of the way of the drilling equipment or the need to elevate or externally rotate the injured extremity relative to the contralateral extremity.

Effect of dysprosia doping on structural and electrical property of stabilized zirconia for intermediate- temperature SOFCs

International Nuclear Information System (INIS)

Pastor, M.; Maiti, S.; Pandey, A.; Biswas, K.; Manna, I.

2011-01-01

Present work deals with structural, micro-structural and electrical properties of dysprosia stabilized zirconia electrolyte, which have been evaluated by means of X-ray diffraction (XRD) and scanning (SEM), and complex impedance analysis respectively. The amount of dysprosia was varied from 2 to 12 mol% in zirconia. The addition of dysprosia (8-12 mol%) stabilized the cubic zirconia phase, which was analyzed from XRD analysis. SEM micrographs clearly showed the improvement in sinterability with increase in dysprosia concentration up to 6 mol% disprosia. Complex impedance analysis was performed in the temperature range from 250 to 600 deg. C. The results indicated a gradual decrease in impedance of both bulk and grain boundary and increase in conductivity with dysprosia doping up to 6 mol% and thereafter showing a reverse trend. The activation energies for oxygen ion migration were also found to decrease with increase in dysprosia doping which was in the range of 0.99 - 1.28 eV. The average thermal expansion coefficient increases linearly.

Stability analysis of embedded nonlinear predictor neural generalized predictive controller

Directory of Open Access Journals (Sweden)

Hesham F. Abdel Ghaffar

2014-03-01

Full Text Available Nonlinear Predictor-Neural Generalized Predictive Controller (NGPC is one of the most advanced control techniques that are used with severe nonlinear processes. In this paper, a hybrid solution from NGPC and Internal Model Principle (IMP is implemented to stabilize nonlinear, non-minimum phase, variable dead time processes under high disturbance values over wide range of operation. Also, the superiority of NGPC over linear predictive controllers, like GPC, is proved for severe nonlinear processes over wide range of operation. The necessary conditions required to stabilize NGPC is derived using Lyapunov stability analysis for nonlinear processes. The NGPC stability conditions and improvement in disturbance suppression are verified by both simulation using Duffing’s nonlinear equation and real-time using continuous stirred tank reactor. Up to our knowledge, the paper offers the first hardware embedded Neural GPC which has been utilized to verify NGPC–IMP improvement in realtime.

Kinetic stability and membrane structure of liposomes during in vitro infant intestinal digestion: Effect of cholesterol and lactoferrin.

Science.gov (United States)

Liu, Weilin; Wei, Fuqiang; Ye, Aiqian; Tian, Mengmeng; Han, Jianzhong

2017-09-01

The effects of cholesterol and lactoferrin on the kinetic stability and membrane structural integrity of negatively charged liposomes under in vitro infant intestinal digestion conditions were elucidated using dynamic light scattering, pH-stat titration, Fourier transform infrared spectroscopy, and pyrene steady state fluorescence probes. The liposomes had a smaller particle diameter, a wider size distribution, and a greater negative charge after digestion. The incorporation of cholesterol into the phospholipid bilayers resulted in a more ordered conformation in the aliphatic tail region and reduced micropolarity, indicating that cholesterol can improve the structural stability of liposomal membranes against intestinal environmental stress. Lactoferrin coverage facilitated the release of free fatty acids and increased the microfluidity of the bilayers, reducing the structural integrity of the liposomes. This study provides useful information on the design of liposomes and other microcapsules with improved and controlled release properties during digestion for particular groups of people. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effect of spin-orbit interactions on the structural stability, thermodynamic properties, and transport properties of lead under pressure

Science.gov (United States)

Smirnov, N. A.

2018-03-01

The paper investigates the role of spin-orbit interaction in the prediction of structural stability, lattice dynamics, elasticity, thermodynamic and transport properties (electrical resistivity and thermal conductivity) of lead under pressure with the FP-LMTO (full-potential linear-muffin-tin orbital) method for the first-principles band structure calculations. Our calculations were carried out for three polymorphous lead modifications (fcc, hcp, and bcc) in generalized gradient approximation with the exchange-correlation functional PBEsol. They suggest that compared to the scalar-relativistic calculation, the account for the SO effects insignificantly influences the compressibility of Pb. At the same time, in the calculation of phonon spectra and transport properties, the role of SO interaction is important, at least, for P ≲150 GPa. At higher pressures, the contribution from SO interaction reduces but not vanishes. As for the relative structural stability, our studies show that SO effects influence weakly the pressure of the fcc →hcp transition and much higher the pressure of the hcp →bcc transition.

Superior mesenteric artery syndrome causing growth retardation

Directory of Open Access Journals (Sweden)

Halil İbrahim Taşcı

2013-03-01

Full Text Available Superior mesenteric artery syndrome is a rare and lifethreateningclinical condition caused by the compressionof the third portion of the duodenum between the aortaand the superior mesenteric artery’s proximal part. Thiscompression may lead to chronic intermittent, acute totalor partial obstruction. Sudden weight-loss and the relateddecrease in the fat tissue are considered to be the etiologicalreason of acute stenosis. Weight-loss accompaniedby nausea, vomiting, anorexia, epigastric pain, andbloating are the leading complaints. Barium radiographs,computerized tomography, conventional angiography,tomographic and magnetic resonance angiography areused in the diagnosis. There are medical and surgical approachesto treatment. We hereby present the case ofa patient with superior mesenteric artery syndrome withdelayed diagnosis.Key words: superior mesenteric artery syndrome, nausea-vomiting, anorexia

Influence of different curing systems on the physico-mechanical properties and stability of SBR and NR rubbers

Energy Technology Data Exchange (ETDEWEB)

Basfar, A.A. E-mail: abasfar@kacst.edu.sa; Abdel-Aziz, M.M.; Mofti, S

2002-01-01

The physical properties of radiation, sulfur and peroxide-cured styrene-butadiene rubber (SBR) and natural rubber (NR) were compared. The dependence of the mechanical properties of the radiation-vulcanized SBR and NR on the coagent concentration and radiation dose was studied. The effect of thermal aging on the mechanical properties of the different rubber formulations was discussed. The radiation-cured formulations of SBR have superior mechanical properties and thermal stability compared with those of the chemically vulcanized compounds. Whereas, the radiation-cured formulations of NR have similar mechanical properties but superior thermal stability (based on the % change in E after thermal aging), when compared with those of the sulfur-vulcanized compounds and slightly better than those of the peroxide-vulcanized compounds.

Robust SMES controller design for stabilization of inter-area oscillation considering coil size and system uncertainties

International Nuclear Information System (INIS)

Ngamroo, Issarachai

2010-01-01

It is well known that the superconducting magnetic energy storage (SMES) is able to quickly exchange active and reactive power with the power system. The SMES is expected to be the smart storage device for power system stabilization. Although the stabilizing effect of SMES is significant, the SMES is quite costly. Particularly, the superconducting magnetic coil size which is the essence of the SMES, must be carefully selected. On the other hand, various generation and load changes, unpredictable network structure, etc., cause system uncertainties. The power controller of SMES which is designed without considering such uncertainties, may not tolerate and loses stabilizing effect. To overcome these problems, this paper proposes the new design of robust SMES controller taking coil size and system uncertainties into account. The structure of the active and reactive power controllers is the 1st-order lead-lag compensator. No need for the exact mathematical representation, system uncertainties are modeled by the inverse input multiplicative perturbation. Without the difficulty of the trade-off of damping performance and robustness, the optimization problem of control parameters is formulated. The particle swarm optimization is used for solving the optimal parameters at each coil size automatically. Based on the normalized integral square error index and the consideration of coil current constraint, the robust SMES with the smallest coil size which still provides the satisfactory stabilizing effect, can be achieved. Simulation studies in the two-area four-machine interconnected power system show the superior robustness of the proposed robust SMES with the smallest coil size under various operating conditions over the non-robust SMES with large coil size.

Robust SMES controller design for stabilization of inter-area oscillation considering coil size and system uncertainties

Science.gov (United States)

Ngamroo, Issarachai

2010-12-01

It is well known that the superconducting magnetic energy storage (SMES) is able to quickly exchange active and reactive power with the power system. The SMES is expected to be the smart storage device for power system stabilization. Although the stabilizing effect of SMES is significant, the SMES is quite costly. Particularly, the superconducting magnetic coil size which is the essence of the SMES, must be carefully selected. On the other hand, various generation and load changes, unpredictable network structure, etc., cause system uncertainties. The power controller of SMES which is designed without considering such uncertainties, may not tolerate and loses stabilizing effect. To overcome these problems, this paper proposes the new design of robust SMES controller taking coil size and system uncertainties into account. The structure of the active and reactive power controllers is the 1st-order lead-lag compensator. No need for the exact mathematical representation, system uncertainties are modeled by the inverse input multiplicative perturbation. Without the difficulty of the trade-off of damping performance and robustness, the optimization problem of control parameters is formulated. The particle swarm optimization is used for solving the optimal parameters at each coil size automatically. Based on the normalized integral square error index and the consideration of coil current constraint, the robust SMES with the smallest coil size which still provides the satisfactory stabilizing effect, can be achieved. Simulation studies in the two-area four-machine interconnected power system show the superior robustness of the proposed robust SMES with the smallest coil size under various operating conditions over the non-robust SMES with large coil size.

Porous structure analysis of radioactive spent resin cementation matrix

International Nuclear Information System (INIS)

Zhou Yaozhong; Yun Guichun

2004-01-01

According to a cement product microstructure, a radioactive spent resin cementation matrix has the properties of porous matters. The distributing of the pore size and the pore microstructure stability are closely related to many crucial macro properties, including strength and permeability of the matrixes. By using a new computer-controlled Hg pressure test, a experiment methods of the matrix micro-properties was studied. By using porous structure analyses, it was found that the experimental method is useful for the future cementation research. In this test, it was also found that ASC cement matrixes of spent resin have superior microstructure to the OPC's. They have better pore size distribution, more stable structure and higher ability to hold the Hg in the matrixes than OPC's, and these properties are the important factors that make ASC cement matrixes have more stable macro-structure and lower leaching of nuclides. (authors)

Structural Stability and Performance of Noble Metal-Free SnO2-Based Gas Sensors

Directory of Open Access Journals (Sweden)

Antonio Tricoli

2012-05-01

Full Text Available The structural stability of pure SnO2 nanoparticles and highly sensitive SnO2-SiO2 nanocomposites (0–15 SiO2 wt% has been investigated for conditions relevant to their utilization as chemoresistive gas sensors. Thermal stabilization by SiO2 co-synthesis has been investigated at up to 600 °C determining regimes of crystal size stability as a function of SiO2-content. For operation up to 400 °C, thermally stable crystal sizes of ca. 24 and 11 nm were identified for SnO2 nanoparticles and 1.4 wt% SnO2-SiO2 nanocomposites, respectively. The effect of crystal growth during operation (TO = 320 °C on the sensor response to ethanol has been reported, revealing possible long-term destabilization mechanisms. In particular, crystal growth and sintering-neck formation were discussed with respect to their potential to change the sensor response and calibration. Furthermore, the effect of SiO2 cosynthesis on the cross-sensitivity to humidity of these noble metal-free SnO2-based gas sensors was assessed.

Influence of protic ionic liquids on the structure and stability of succinylated Con A.

Science.gov (United States)

Attri, Pankaj; Venkatesu, Pannuru

2012-01-01

We report the synthesis of a series of ionic liquids (ILs) from various ions having different kosmotropicity including dihydrogen phosphate (H(2)PO(4)(-)), hydrogen sulfate (HSO(4)(-)) and acetate (CH(3)COO(-)) as anions and chaotropic cation such as trialkylammonium cation. To characterize the biomolecular interactions of ILs with protein, we have explored the stability of succinylated Con A (S Con A) in the presence of these aqueous ILs, which are varied combinations of kosmotropic anion with chaotropic cation such as triethylammonium dihydrogen phosphate [(CH(3)CH(2))(3)NH][H(2)PO(4)] (TEAP), trimethylammonium acetate [(CH(3))(3)NH][CH(3)COO] (TMAA), trimethylammonium dihydrogen phosphate [(CH(3))(3)NH][H(2)PO(4)] (TMAP) and trimethylammonium hydrogen sulfate [(CH(3))(3)NH][HSO(4)] (TMAS). Circular dichroism (CD) and fluorescence experiments have been used to characterize the stability of S Con A by ILs. Our data distinctly demonstrate that the long alkyl chain IL TEAP is a strong stabilizer for S Con A. Further, our experimental results reveal that TEAP is an effective refolding enhancer for S Con A from a thermally denatured protein structure. Copyright © 2012 Elsevier B.V. All rights reserved.

Stability and electronic structure of Zr-based ternary metallic glasses and relevant compounds

International Nuclear Information System (INIS)

Hasegawa, M.; Soda, K.; Sato, H.; Suzuki, T.; Taketomi, T.; Takeuchi, T.; Kato, H.; Mizutani, U.

2007-01-01

The electronic structure of the Zr-based metallic glasses has been investigated by theoretical and experimental approaches. One approach is band calculations of the Zr 2 Ni (Zr 66.7 Ni 33.3 ) compound to investigate the electronic structure of the Zr 66.7 Ni 33.3 metallic glass (ΔT x = 0 K) of which the local atomic structure is similar to that of the Zr 2 Ni compound. The other is photoemission spectroscopy of the Zr 50 Cu 35 Al 15 bulk metallic glass (BMG) (ΔT x = 69 K). Here ΔT x = T x - T g where T x and T g are crystallization and glass transition temperature, respectively. Both results and previous ones on the Zr 55 Cu 30 Ni 5 Al 10 BMG indicate that there is a pseudogap at the Fermi level in the electronic structure of these Zr-based metallic glasses, independent of the value of the ΔT x . This implies that the pseudogap at the Fermi level is one of the factors that stabilize the glass phase of Zr-based metallic glasses

Structure-Activity Relationship of the Antimalarial Ozonide Artefenomel (OZ439).

Science.gov (United States)

Dong, Yuxiang; Wang, Xiaofang; Kamaraj, Sriraghavan; Bulbule, Vivek J; Chiu, Francis C K; Chollet, Jacques; Dhanasekaran, Manickam; Hein, Christopher D; Papastogiannidis, Petros; Morizzi, Julia; Shackleford, David M; Barker, Helena; Ryan, Eileen; Scheurer, Christian; Tang, Yuanqing; Zhao, Qingjie; Zhou, Lin; White, Karen L; Urwyler, Heinrich; Charman, William N; Matile, Hugues; Wittlin, Sergio; Charman, Susan A; Vennerstrom, Jonathan L

2017-04-13

Building on insights gained from the discovery of the antimalarial ozonide arterolane (OZ277), we now describe the structure-activity relationship (SAR) of the antimalarial ozonide artefenomel (OZ439). Primary and secondary amino ozonides had higher metabolic stabilities than tertiary amino ozonides, consistent with their higher pK a and lower log D 7.4 values. For primary amino ozonides, addition of polar functional groups decreased in vivo antimalarial efficacy. For secondary amino ozonides, additional functional groups had variable effects on metabolic stability and efficacy, but the most effective members of this series also had the highest log D 7.4 values. For tertiary amino ozonides, addition of polar functional groups with H-bond donors increased metabolic stability but decreased in vivo antimalarial efficacy. Primary and tertiary amino ozonides with cycloalkyl and heterocycle substructures were superior to their acyclic counterparts. The high curative efficacy of these ozonides was most often associated with high and prolonged plasma exposure, but exposure on its own did not explain the presence or absence of either curative efficacy or in vivo toxicity.

Diagonal recurrent neural network based adaptive control of nonlinear dynamical systems using lyapunov stability criterion.

Science.gov (United States)

Kumar, Rajesh; Srivastava, Smriti; Gupta, J R P

2017-03-01

In this paper adaptive control of nonlinear dynamical systems using diagonal recurrent neural network (DRNN) is proposed. The structure of DRNN is a modification of fully connected recurrent neural network (FCRNN). Presence of self-recurrent neurons in the hidden layer of DRNN gives it an ability to capture the dynamic behaviour of the nonlinear plant under consideration (to be controlled). To ensure stability, update rules are developed using lyapunov stability criterion. These rules are then used for adjusting the various parameters of DRNN. The responses of plants obtained with DRNN are compared with those obtained when multi-layer feed forward neural network (MLFFNN) is used as a controller. Also, in example 4, FCRNN is also investigated and compared with DRNN and MLFFNN. Robustness of the proposed control scheme is also tested against parameter variations and disturbance signals. Four simulation examples including one-link robotic manipulator and inverted pendulum are considered on which the proposed controller is applied. The results so obtained show the superiority of DRNN over MLFFNN as a controller. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Tungsten carbide/porous carbon composite as superior support for platinum catalyst toward methanol electro-oxidation

International Nuclear Information System (INIS)

Jiang, Liming; Fu, Honggang; Wang, Lei; Mu, Guang; Jiang, Baojiang; Zhou, Wei; Wang, Ruihong

2014-01-01

Graphical abstract: The WC nanoparticles are well dispersed in the carbon matrix. The size of WC nanoparticles is about 30 nm. It can be concluded that tungsten carbide and carbon composite was successfully prepared by the present synthesis conditions. - Highlights: • The WC/PC composite with high specific surface area was prepared by a simple way. • The Pt/WC/PC catalyst has superior performance toward methanol electro-oxidation. • The current density for methanol electro-oxidation is as high as 595.93 A g −1 Pt. • The Pt/WC/PC catalyst shows better durability and stronger CO electro-oxidation. • The performance of Pt/WC/PC is superior to the commercial Pt/C (JM) catalyst. - Abstract: Tungsten carbide/porous carbon (WC/PC) composites have been successfully synthesized through a surfactant assisted evaporation-induced-assembly method, followed by a thermal treatment process. In particular, WC/PC-35-1000 composite with tungsten content of 35% synthesized at the carbonized temperature of 1000 °C, exhibited a specific surface area (S BET ) of 457.92 m 2 g −1 . After loading Pt nanoparticles (NPs), the obtained Pt/WC/PC-35-1000 catalyst exhibits the highest unit mass electroactivity (595.93 A g −1 Pt) toward methanol electro-oxidation, which is about 2.6 times as that of the commercial Pt/C (JM) catalyst. Furthermore, the Pt/WC/PC-35-1000 catalyst displays much stronger resistance to CO poisoning and better durability toward methanol electrooxidation compared with the commercial Pt/C (JM) catalyst. The high electrocatalytic activity, strong poison-resistivity and good stability of Pt/WC/PC-35-1000 catalyst are attributed to the porous structures and high specific surface area of WC/PC support could facilitate the rapid mass transportation. Moreover, synergistic effect between WC and Pt NPs is favorable to the higher catalytic performance

Superior and inferior vena cavae: Embryology, variants, and pathology

International Nuclear Information System (INIS)

Mendelson, D.S.; Mitty, H.; Janus, C.; Gendal, E.; Berson, B.

1987-01-01

The superior and inferior venae cavae may be involved in a host of disease processes. Knowledge of the normal anatomy and variants of these structures is valuable in interpreting plain films and the results of angiographic procedures and all cross-sectional modalities. The authors review the embryology of venae cavae and proceed to describe their normal anatomy and variants. An awareness of the variants can prevent mistaking variants for pathologic processes. Finally, the authors describe pathology involving these vessels and demonstrate the radiographic manifestations

Structure and stability of small H clusters on graphene

DEFF Research Database (Denmark)

Sljivancanin, Zeljko; Andersen, Mie; Hammer, Bjørk

2011-01-01

The structure and stability of small hydrogen clusters adsorbed on graphene is studied by means of density functional theory (DFT) calculations. Clusters containing up to six H atoms are investigated systematically, with the clusters having either all H atoms on one side of the graphene sheet (cis......-clusters) or having the H atoms on both sides in an alternating manner (trans-clusters). The most stable cis-clusters found have H atoms in ortho- and para-positions with respect to each other (two H’s on neighboring or diagonally opposite carbon positions within one carbon hexagon), while the most stable trans......-clusters found have H atoms in ortho-trans-positions with respect to each other (two H’s on neighboring carbon positions, but on opposite sides of the graphene). Very stable trans-clusters with 13–22 H atoms were identified by optimizing the number of H atoms in ortho-trans-positions and thereby the number...

Structure and Stability of Molecular Crystals with Many-Body Dispersion-Inclusive Density Functional Tight Binding.

Science.gov (United States)

Mortazavi, Majid; Brandenburg, Jan Gerit; Maurer, Reinhard J; Tkatchenko, Alexandre

2018-01-18

Accurate prediction of structure and stability of molecular crystals is crucial in materials science and requires reliable modeling of long-range dispersion interactions. Semiempirical electronic structure methods are computationally more efficient than their ab initio counterparts, allowing structure sampling with significant speedups. We combine the Tkatchenko-Scheffler van der Waals method (TS) and the many-body dispersion method (MBD) with third-order density functional tight-binding (DFTB3) via a charge population-based method. We find an overall good performance for the X23 benchmark database of molecular crystals, despite an underestimation of crystal volume that can be traced to the DFTB parametrization. We achieve accurate lattice energy predictions with DFT+MBD energetics on top of vdW-inclusive DFTB3 structures, resulting in a speedup of up to 3000 times compared with a full DFT treatment. This suggests that vdW-inclusive DFTB3 can serve as a viable structural prescreening tool in crystal structure prediction.

Degradation Studies of Polyolefins Incorporating Transparent Nanoparticulate Zinc Oxide UV Stabilizers

International Nuclear Information System (INIS)

Ammala, A.; Hill, A.J.; Meakin, P.; Pas, S.J.; Turney, T.W.

2002-01-01

Coated and dispersed nanoparticulate zinc oxide is shown to improve ultra violet (UV) stability of polypropylene and high-density polyethylene without changing its characteristic absorption spectrum in the visible region (400-800-nm). The performance of these nanoparticulate UV stabilizers is compared to conventional hindered amine light stabilizers (HALS). QUV accelerated weathering is used to simulate long-term exposure. Positron annihilation lifetime spectroscopy (PALS) is used to provide an indication of physical and chemical changes due to accelerated weathering and is shown to have potential for detecting changes well before other techniques. Visual observation, optical microscopy, carbonyl index, yellowness index and PALS indicate that nanoparticulate zinc oxide gives superior resistance to UV degradation compared to organic HALS at appropriate loading levels

COMPREHENSIVE ANALYSIS ON SEEPAGE AND STRUCTURAL STABILITY OF EARTH-ROCK DAM: A CASE STUDY OF XIQUANYAN DAM IN CHINA

Directory of Open Access Journals (Sweden)

Qingqing GUO

2016-07-01

Full Text Available Earth-rock dam is commonly used in the high-dam engineering around the world. It has been widely accepted that the analysis on structural and seepage stability plays a very important role, and it is necessary to take into account while designing the earth-rock dam. In performing the analysis of structural and seepage stability, many remarkable methods are available at current stage. However, there are still some important issues remaining unsolved, including: (1 Finite element methods (FEMs is a means of solutions to analysis seepage process, but it is often a difficult task to determine the so-called seepage coefficient, because the common-used water injection test is limited in the practical work due to the high cost and complex procedure. (2 It has long been discussed that the key parameters for structural stability analysis show a significant spatial and temporal variations. It may be partly explained by the inhomogeneous dam-filling during construction work and the developing seepage process. The consequence is that one constant value of the parameter cannot represent the above variations. In this context, we solve the above issues and introduce the solution with a practical earth-rock dam project. For determining the seepage coefficient, the data from the piezo metric tube is used to calculate the potential value, based on which the seepage coefficient can be back-analysed. Then the seepage field, as well as the seepage stability are numerically analysed using the FEM-based SEEP/W program. As to the structural safety, we take into account the spatial and temporal variations of the key parameters, and incorporate the Monte-Carlo simulation method into the commonly used M-P method to calculate the frequency distribution of the obtained structural safety factor. In this way, the structural and seepage safety can be well analysed. This study is also beneficial to provide a mature method and a theoretical insight into the earth-rock dam design

Structural properties, deformation behavior and thermal stability of martensitic Ti-Nb alloys

Energy Technology Data Exchange (ETDEWEB)

Boenisch, Matthias

2016-06-10

Ti-Nb alloys are characterized by a diverse metallurgy which allows obtaining a wide palette of microstructural configurations and physical properties via careful selection of chemical composition, heat treatment and mechanical processing routes. The present work aims to expand the current state of knowledge about martensite forming Ti-Nb alloys by studying 15 binary Ti-c{sub Nb}Nb (9 wt.% ≤ c{sub Nb} ≤ 44.5 wt.%) alloy formulations in terms of their structural and mechanical properties, as well as their thermal stability. The crystal structures of the martensitic phases, α{sup '} and α'', and the influence of the Nb content on the lattice (Bain) strain and on the volume change related to the β → α{sup '}/α'' martensitic transformations are analyzed on the basis of Rietveld-refinements. The magnitude of the shuffle component of the β → α{sup '}/α'' martensitic transformations is quantified in relation to the chemical composition. The largest transformation lattice strains are operative in Nb-lean alloys. Depending on the composition, both a volume dilatation and contraction are encountered and the volume change may influence whether hexagonal martensite α{sup '} or orthorhombic martensite α'' forms from β upon quenching. The mechanical properties and the deformation behavior of martensitic Ti-Nb alloys are studied by complementary methods including monotonic and cyclic uniaxial compression, nanoindentation, microhardness and impulse excitation technique. The results show that the Nb content strongly influences the mechanical properties of martensitic Ti-Nb alloys. The elastic moduli, hardness and strength are minimal in the vicinity of the limiting compositions bounding the interval in which orthorhombic martensite α'' forms by quenching. Uniaxial cyclic compressive testing demonstrates that the elastic properties of strained samples are different than those of unstrained ones

Effects of time delays on stability and Hopf bifurcation in a fractional ring-structured network with arbitrary neurons

Science.gov (United States)

Huang, Chengdai; Cao, Jinde; Xiao, Min; Alsaedi, Ahmed; Hayat, Tasawar

2018-04-01

This paper is comprehensively concerned with the dynamics of a class of high-dimension fractional ring-structured neural networks with multiple time delays. Based on the associated characteristic equation, the sum of time delays is regarded as the bifurcation parameter, and some explicit conditions for describing delay-dependent stability and emergence of Hopf bifurcation of such networks are derived. It reveals that the stability and bifurcation heavily relies on the sum of time delays for the proposed networks, and the stability performance of such networks can be markedly improved by selecting carefully the sum of time delays. Moreover, it is further displayed that both the order and the number of neurons can extremely influence the stability and bifurcation of such networks. The obtained criteria enormously generalize and improve the existing work. Finally, numerical examples are presented to verify the efficiency of the theoretical results.

First-principles calculations of BC{sub 4}N nanostructures: stability and electronic structure

Energy Technology Data Exchange (ETDEWEB)

Freitas, A.; Azevedo, S. [Universidade Federal da Paraiba, CCEN, Departamento de Fisica, Joao Pessoa, PB (Brazil); Machado, M. [Universidade Federal de Pelotas, Departamento de Fisica, Pelotas, RS (Brazil); Kaschny, J.R. [Instituto Federal da Bahia-Campus Vitoria da Conquista, Vitoria da Conquista, BA (Brazil)

2012-07-15

In this work, we apply first-principles methods to investigate the stability and electronic structure of BC{sub 4}N nanostructures which were constructed from hexagonal graphite layers where substitutional nitrogen and boron atoms are placed at specific sites. These layers were rolled up to form zigzag and armchair nanotubes, with diameters varying from 7 to 12 A, or cut and bent to form nanocones, with 60 and 120 disclination angles. The calculation results indicate that the most stable structures are the ones which maximize the number of B-N and C-C bonds. It is found that the zigzag nanotubes are more stable than the armchair ones, where the strain energy decreases with increasing tube diameter D, following a 1/D {sup 2} law. The results show that the 60 disclination nanocones are the most stable ones. Additionally, the calculated electronic properties indicate a semiconducting behavior for all calculated structures, which is intermediate to the typical behaviors found for hexagonal boron nitride and graphene. (orig.)