Unraveling Deformation Mechanisms in Gradient Structured Metals

NASA Astrophysics Data System (ADS)

Moering, Jordan Alexander

Gradient structures have demonstrated high strength and high ductility, introducing new mechanisms to challenge conventional mechanics. This work develops a method for characterizing the shear strain in gradient structured steel and presents evidence of a texture gradient that develops in Surface Mechanical Attrition Treatment (SMAT). Mechanics underlying some theories of the strengthening mechanisms in gradient structured metals are introduced, followed by the fabrication and testing of gradient structured aluminum rod. The round geometry is intrinsically different from its flat counterparts, which leads to a multiaxial stress state evolving in tension. The aluminum exhibits strengthening beyond rule of mixtures, and texture evolution in the post-mortem sample indicates that out of plane stresses operate within the gradient. Finally, another gradient structured aluminum rod is shown to exhibit higher strength and higher elongation to failure in a variety of sample diameters and processing conditions. The GND density and microstructural evolution showed no significant changes during mechanical testing, and high resolution strain mapping was successfully completed within the core of the material. These discoveries and contributions to the field should help continue unraveling the deformation mechanisms of gradient structured metals.

Aggregation-Induced Emission (AIE) Fluorophore Exhibits a Highly Ratiometric Fluorescent Response to Zn2+ in vitro and in Human Liver Cancer Cells.

PubMed

Mehdi, Hassan; Gong, Weitao; Guo, Huimin; Watkinson, Michael; Ma, Hua; Wajahat, Ali; Ning, Guiling

2017-09-21

Two novel organic fluorophores, containing bis-naphthylamide and quinoline motifs, have been designed and synthesized. One of the fluorophores contains an isobutylene unit and exhibits a significant aggregation-induced emission (AIE) and a remarkable highly selective ratiometric fluorescence response towards Zn 2+ in solution as well as in human liver cancer cells. The AIE behavior of this fluorophore was fully verified by fluorescence and UV/Vis spectroscopy, quantum yield calculations, and single-crystal X-ray diffraction, which revealed an intricate crystal packing system. Conversely, a fluorophore that lacks the isobutylene moiety did not exhibit any significant fluorescent properties as a result of its more flexible molecular structure that presumably allows free intramolecular rotational processes to occur. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cognitive and brain structural changes in a lung cancer population.

PubMed

Simó, Marta; Root, James C; Vaquero, Lucía; Ripollés, Pablo; Jové, Josep; Ahles, Tim; Navarro, Arturo; Cardenal, Felipe; Bruna, Jordi; Rodríguez-Fornells, Antoni

2015-01-01

No study has examined structural brain changes specifically associated with chemotherapy in a lung cancer population. The aim of this cross-sectional study was to assess differences in brain structure between small-cell lung cancer patients (C+) following chemotherapy, non-small-cell lung cancer patients (C-) before chemotherapy and healthy controls (HC). Twenty-eight small-cell lung cancer patients underwent a neuropsychological assessment and a structural magnetic resonance imaging, including T1-weighted and diffusion tensor imaging to examine gray matter density and white matter (WM) integrity, respectively, 1 month following completion of platinum-based chemotherapy. This group was compared with 20 age and education-matched non-small-cell lung cancer patients before receiving chemotherapy and 20 HC. Both C+ and C- groups exhibited cognitive impairment compared with the HC group. The C+ group performed significantly worse than HC in verbal fluency and visuospatial subtests; C- performed significantly worse than both C+ and HC in verbal memory. Voxel-based morphometry analysis revealed lower gray matter density in the insula and parahippocampal gyrus bilaterally, and left anterior cingulate cortex in C+ compared with HC. Diffusion tensor imaging indices showed focal decreased WM integrity in left cingulum and bilateral inferior longitudinal fasciculus in the C+ group and more widespread decreased integrity in the C- group compared with the HC group. This study demonstrates that lung cancer patients exhibit cognitive impairment before and after chemotherapy. Before the treatment, C- showed verbal memory deficits as well as a widespread WM damage. Following treatment, the C+ group performed exhibited lower visuospatial and verbal fluency abilities, together with structural gray matter and WM differences in bilateral regions integrating the paralimbic system.

XAFS and XEOL of tetramesityldigermene - An electronic structure study of a heavy group 14 ethylene analogue

NASA Astrophysics Data System (ADS)

Ward, Matthew J.; Rupar, Paul A.; Murphy, Michael W.; Yiu, Yun-Mui; Baines, Kim M.; Sham, Tsun-Kong

2013-04-01

Digermene, the germanium analogue of ethylene, has a multiple bonding motif that differs greatly from that of alkenes and exhibits no pure σ or π type bonds. The electronic structure of digermenes is difficult to study experimentally due to their reactivity, and is computationally challenging because of their shallow potential energy surfaces. Using X-ray absorption near edge structures at both the germanium K and L edges we have been able to directly probe the unoccupied electronic states, or the lowest unoccupied molecular orbital (LUMO), and LUMO+ etc. in the Ge=Ge bond of tetramesityldigermene. We have demonstrated that the LUMO, LUMO+, etc. are composed of hybrid Ge 4s and 4p orbitals. Additionally, our data suggest that the LUMO exhibits relatively more Ge 4s character, whereas the LUMO+ and LUMO+2 exhibit relatively more Ge 4p character. An X-ray excited optical luminescence study of Ge2Mes4 revealed one broad optical emission band at 620 nm, which is significantly red shifted compared to the known energy gap of this molecular germanium compound.

Heterogeneous organocatalysis at work: functionalization of hollow periodic mesoporous organosilica spheres with MacMillan catalyst.

PubMed

Shi, Jiao Yi; Wang, Chang An; Li, Zhi Jun; Wang, Qiong; Zhang, Yuan; Wang, Wei

2011-05-23

We report a new method for the synthesis of hollow-structured phenylene-bridged periodic mesoporous organosilica (PMO) spheres with a uniform particle size of 100-200 nm using α-Fe(2)O(3) as a hard template. Based on this method, the hollow-structured phenylene PMO could be easily functionalized with MacMillan catalyst (H-PhPMO-Mac) by a co-condensation process and a "click chemistry" post-modification. The synthesized H-PhPMO-Mac catalyst has been found to exhibit high catalytic activity (98% yield, 81% enantiomeric excess (ee) for endo and 81% ee for exo) in asymmetric Diels-Alder reactions with water as solvent. The catalyst could be reused for at least seven runs without a significant loss of catalytic activity. Our results have also indicated that hollow-structured PMO spheres exhibit higher catalytic efficiency than solid (non-hollow) PMO spheres, and that catalysts prepared by the co-condensation process and "click chemistry" post-modification exhibit higher catalytic efficiency than those prepared by a grafting method. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Direct Numerical Simulation of a Temporally Evolving Incompressible Plane Wake: Effect of Initial Conditions on Evolution and Topology

NASA Technical Reports Server (NTRS)

Sondergaard, R.; Cantwell, B.; Mansour, N.

1997-01-01

Direct numerical simulations have been used to examine the effect of the initial disturbance field on the development of three-dimensionality and the transition to turbulence in the incompressible plane wake. The simulations were performed using a new numerical method for solving the time-dependent, three-dimensional, incompressible Navier-Stokes equations in flows with one infinite and two periodic directions. The method uses standard Fast Fourier Transforms and is applicable to cases where the vorticity field is compact in the infinite direction. Initial disturbances fields examined were combinations of two-dimensional waves and symmetric pairs of 60 deg oblique waves at the fundamental, subharmonic, and sub-subharmonic wavelengths. The results of these simulations indicate that the presence of 60 deg disturbances at the subharmonic streamwise wavelength results in the development of strong coherent three-dimensional structures. The resulting strong three-dimensional rate-of-strain triggers the growth of intense fine scale motions. Wakes initiated with 60 deg disturbances at the fundamental streamwise wavelength develop weak coherent streamwise structures, and do not develop significant fine scale motions, even at high Reynolds numbers. The wakes which develop strong three-dimensional structures exhibit growth rates on par with experimentally observed turbulent plane wakes. Wakes which develop only weak three-dimensional structures exhibit significantly lower late time growth rates. Preliminary studies of wakes initiated with an oblique fundamental and a two-dimensional subharmonic, which develop asymmetric coherent oblique structures at the subharmonic wavelength, indicate that significant fine scale motions only develop if the resulting oblique structures are above an angle of approximately 45 deg.

New Peptides Isolated from Marine Cyanobacteria, an Overview over the Past Decade.

PubMed

Mi, Yue; Zhang, Jinrong; He, Shan; Yan, Xiaojun

2017-05-05

Marine cyanobacteria are significant sources of structurally diverse marine natural products with broad biological activities. In the past 10 years, excellent progress has been made in the discovery of marine cyanobacteria-derived peptides with diverse chemical structures. Most of these peptides exhibit strong pharmacological activities, such as neurotoxicity and cytotoxicity. In the present review, we summarized peptides isolated from marine cyanobacteria since 2007.

The structure of Tim50(164–361) suggests the mechanism by which Tim50 receives mitochondrial presequences

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Jingzhi; Sha, Bingdong, E-mail: bdsha@uab.edu

2015-08-25

The Tim50 crystal structure indicates that the IMS domain of Tim50 exhibits significant structural plasticity within the putative presequence-binding groove. Mitochondrial preproteins are transported through the translocase of the outer membrane (TOM) complex. Tim50 and Tim23 then transfer preproteins with N-terminal targeting presequences through the intermembrane space (IMS) across the inner membrane. The crystal structure of the IMS domain of Tim50 [Tim50(164–361)] has previously been determined to 1.83 Å resolution. Here, the crystal structure of Tim50(164–361) at 2.67 Å resolution that was crystallized using a different condition is reported. Compared with the previously determined Tim50(164–361) structure, significant conformational changes occurmore » within the protruding β-hairpin of Tim50 and the nearby helix A2. These findings indicate that the IMS domain of Tim50 exhibits significant structural plasticity within the putative presequence-binding groove, which may play important roles in the function of Tim50 as a receptor protein in the TIM complex that interacts with the presequence and multiple other proteins. More interestingly, the crystal packing indicates that helix A1 from the neighboring monomer docks into the putative presequence-binding groove of Tim50(164–361), which may mimic the scenario of Tim50 and the presequence complex. Tim50 may recognize and bind the presequence helix by utilizing the inner side of the protruding β-hairpin through hydrophobic interactions. Therefore, the protruding β-hairpin of Tim50 may play critical roles in receiving the presequence and recruiting Tim23 for subsequent protein translocations.« less

Effect of Temperature and Nutrient Manipulations on eelgrass ...

EPA Pesticide Factsheets

Global climate change will have a large impact on the three predominate drivers of estuarine seagrass productivity, temperature, light and nutrients. I experimentally evaluate the response of Pacific Northwest Z. marina to interactive effects of temperature and nutrient conditions. Experimental manipulations were conducted hydroponically in acrylic chambers and spanned a range of temperatures and nutrient concentrations. Preliminary single factor experiments were conducted to evaluate physiological tolerances to temperature and nitrogen concentrations. Eelgrass exhibited a linear increase in specific growth with increasing NH4 concentration (range from 10 to 1000 µM); in contrast, there was no significant relationship between specific growth rate and increasing NO3 concentration over the same concentration range. Leaf growth metrics all exhibited strong linear relationships with increasing water temperature (temperature range 4-25 ºC). In the factorial experiment, plants were exposed to 3 temperatures (10, 18 and 25 ºC) and 3 nitrate concentrations (10, 30 and 100 µM) with 3 replicate chambers per treatment combination. Most metrics (leaf elongation, growth, specific growth, wasting index) exhibited a significant temperature effect indicating the importance of temperature on metabolic rates. Tissue stable isotope ratios and C:N values exhibited a significant nutrient effect and in some cases a significant temperature effect. Whole plant non structur

Formation of broadband antireflective and superhydrophilic subwavelength structures on fused silica using one-step self-masking reactive ion etching

PubMed Central

Ye, Xin; Jiang, Xiaodong; Huang, Jin; Geng, Feng; Sun, Laixi; Zu, Xiaotao; Wu, Weidong; Zheng, Wanguo

2015-01-01

Fused silica subwavelength structures (SWSs) with an average period of ~100 nm were fabricated using an efficient approach based on one-step self-masking reactive ion etching. The subwavelength structures exhibited excellent broadband antireflection properties from the ultraviolet to near-infrared wavelength range. These properties are attributable to the graded refractive index for the transition from air to the fused silica substrate that is produced by the ideal nanocone subwavelength structures. The transmittance in the 400–700 nm range increased from approximately 93% for the polished fused silica to greater than 99% for the subwavelength structure layer on fused silica. Achieving broadband antireflection in the visible and near-infrared wavelength range by appropriate matching of the SWS heights on the front and back sides of the fused silica is a novel strategy. The measured antireflection properties are consistent with the results of theoretical analysis using a finite-difference time-domain (FDTD) method. This method is also applicable to diffraction grating fabrication. Moreover, the surface of the subwavelength structures exhibits significant superhydrophilic properties. PMID:26268896

Polarization-dependent diffraction in all-dielectric, twisted-band structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr, E-mail: pwasylcz@fuw.edu.pl

2015-11-23

We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.

Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.

PubMed

Zha, Xiaoming; Lamba, Doriano; Zhang, Lili; Lou, Yinghan; Xu, Changxu; Kang, Di; Chen, Li; Xu, Yungen; Zhang, Luyong; De Simone, Angela; Samez, Sarah; Pesaresi, Alessandro; Stojan, Jure; Lopez, Manuela G; Egea, Javier; Andrisano, Vincenza; Bartolini, Manuela

2016-01-14

Twenty-six new tacrine-benzofuran hybrids were designed, synthesized, and evaluated in vitro on key molecular targets for Alzheimer's disease. Most hybrids exhibited good inhibitory activities on cholinesterases and β-amyloid self-aggregation. Selected compounds displayed significant inhibition of human β-secretase-1 (hBACE-1). Among the 26 hybrids, 2e showed the most interesting profile as a subnanomolar selective inhibitor of human acetylcholinesterase (hAChE) (IC50 = 0.86 nM) and a good inhibitor of both β-amyloid aggregation (hAChE- and self-induced, 61.3% and 58.4%, respectively) and hBACE-1 activity (IC50 = 1.35 μM). Kinetic studies showed that 2e acted as a slow, tight-binding, mixed-type inhibitor, while X-ray crystallographic studies highlighted the ability of 2e to induce large-scale structural changes in the active-site gorge of Torpedo californica AChE (TcAChE), with significant implications for structure-based drug design. In vivo studies confirmed that 2e significantly ameliorates performances of scopolamine-treated ICR mice. Finally, 2e administration did not exhibit significant hepatotoxicity.

Secondary structure of the 3'-noncoding region of flavivirus genomes: comparative analysis of base pairing probabilities.

PubMed

Rauscher, S; Flamm, C; Mandl, C W; Heinz, F X; Stadler, P F

1997-07-01

The prediction of the complete matrix of base pairing probabilities was applied to the 3' noncoding region (NCR) of flavivirus genomes. This approach identifies not only well-defined secondary structure elements, but also regions of high structural flexibility. Flaviviruses, many of which are important human pathogens, have a common genomic organization, but exhibit a significant degree of RNA sequence diversity in the functionally important 3'-NCR. We demonstrate the presence of secondary structures shared by all flaviviruses, as well as structural features that are characteristic for groups of viruses within the genus reflecting the established classification scheme. The significance of most of the predicted structures is corroborated by compensatory mutations. The availability of infectious clones for several flaviviruses will allow the assessment of these structural elements in processes of the viral life cycle, such as replication and assembly.

A revolute joint with linear load-displacement response for a deployable lidar telescope

NASA Technical Reports Server (NTRS)

Lake, Mark S.; Warren, Peter A.; Peterson, Lee D.

1996-01-01

NASA Langley Research Center is developing concepts for an advanced spacecraft, called LidarTechSat, to demonstrate key structures and mechanisms technologies necessary to deploy a segmented telescope reflector. Achieving micron-accuracy deployment requires significant advancements in deployment mechanism design, such as the revolute joint presented herein. The joint exhibits load-cycling response that is essentially linear with less than 2% hysteresis, and the joint rotates with less than 7 mN-m (1 in-oz) of resistance. A prototype reflector metering truss incorporating the joint exhibits only a few microns of kinematic error under repected deployment and impulse loading. No other mechanically deployment structure found in the literature has been demonstrated to be this kinematically accurate.

Niobium Doped Lanthanum Strontium Ferrite as A Redox-Stable and Sulfur-Tolerant Anode for Solid Oxide Fuel Cells.

PubMed

Li, Jingwei; Wei, Bo; Cao, Zhiqun; Yue, Xing; Zhang, Yaxin; Lü, Zhe

2018-01-10

The Nb-doped lanthanum strontium ferrite perovskite oxide La 0.8 Sr 0.2 Fe 0.9 Nb 0.1 O 3-δ (LSFNb) is evaluated as an anode material in a solid oxide fuel cell (SOFC). The effects of Nb partial substitution in the crystal structure, the electrical conductivity, and the valence of Fe ions are studied. LSFNb exhibits good structural stability in a severe reducing atmosphere at 800 °C, suggesting that high-valent Nb can effectively promote the stability of the lattice structure. The concentration of Fe 2+ increases after Nb doping, as confirmed by X-ray photoelectron spectroscopy. The maximum power density of a thick Sc-stabilized zirconia (ScSZ) electrolyte-supported single cell reached 241.6 mW cm -2 at 800 °C with H 2 as fuel. The cell exhibited excellent stability for 100 h continuous operation without detectable degeneration. Scanning electron microscopy clearly revealed exsolution on the LSFNb surface after operation. Meanwhile, LSFNb particles agglomerated significantly during long-term stability testing. Impedance spectra suggested that both the LSFNb anode and the (La 0.75 Sr 0.25 ) 0.95 MnO 3-δ /ScSZ cathode underwent an activation process during long-term testing, through which the charge transfer ability increased significantly. Meanwhile, low-frequency resistance (R L ) mainly attributed to the anode (80 %) significantly increased, probably due to the agglomeration of LSFNb particles. The LSFNb anode exhibits excellent anti-sulfuring poisoning ability and redox stability. These results demonstrate that LSFNb is a promising anode material for SOFCs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Near-infrared absorbing squarylium dyes with linearly extended π-conjugated structure for dye-sensitized solar cell applications.

PubMed

Maeda, Takeshi; Hamamura, Yuuto; Miyanaga, Kyohei; Shima, Naoki; Yagi, Shigeyuki; Nakazumi, Hiroyuki

2011-11-18

A novel class of near-infrared absorbing squarylium sensitizers with linearly extended π-conjugated structures, which were obtained by Pd-catalyzed cross-coupling reactions with stannylcyclobutenediones, has been developed for dye-sensitized solar cells. The cells based on these dyes exhibited a significant spectral response in the near-infrared region over 750 nm in addition to the visible region.

New Peptides Isolated from Marine Cyanobacteria, an Overview over the Past Decade

PubMed Central

Mi, Yue; Zhang, Jinrong; He, Shan; Yan, Xiaojun

2017-01-01

Marine cyanobacteria are significant sources of structurally diverse marine natural products with broad biological activities. In the past 10 years, excellent progress has been made in the discovery of marine cyanobacteria-derived peptides with diverse chemical structures. Most of these peptides exhibit strong pharmacological activities, such as neurotoxicity and cytotoxicity. In the present review, we summarized peptides isolated from marine cyanobacteria since 2007. PMID:28475149

Macroporous Inverse Opal-like MoxC with Incorporated Mo Vacancies for Significantly Enhanced Hydrogen Evolution.

PubMed

Li, Feng; Zhao, Xianglong; Mahmood, Javeed; Okyay, Mahmut Sait; Jung, Sun-Min; Ahmad, Ishfaq; Kim, Seok-Jin; Han, Gao-Feng; Park, Noejung; Baek, Jong-Beom

2017-07-25

The hydrogen evolution reaction (HER) is one of the most important pathways for producing pure and clean hydrogen. Although platinum (Pt) is the most efficient HER electrocatalyst, its practical application is significantly hindered by high-cost and scarcity. In this work, an Mo x C with incorporated Mo vacancies and macroporous inverse opal-like (IOL) structure (Mo x C-IOL) was synthesized and studied as a low-cost efficient HER electrocatalyst. The macroporous IOL structure was controllably fabricated using a facile-hard template strategy. As a result of the combined benefits of the Mo vacancies and structural advantages, including appropriate hydrogen binding energy, large exposed surface, robust IOL structure and fast mass/charge transport, the synthesized Mo x C-IOL exhibited significantly enhanced HER electrocatalytic performance with good stability, with performance comparable or superior to Pt wire in both acidic and alkaline solutions.

Core-shell VO2@TiO2 nanorods that combine thermochromic and photocatalytic properties for application as energy-saving smart coatings

PubMed Central

Li, Yamei; Ji, Shidong; Gao, Yanfeng; Luo, Hongjie; Kanehira, Minoru

2013-01-01

Vanadium dioxide (VO2) is a Mott phase transition compound that can be applied as a thermochromic smart material for energy saving and comfort, and titanium dioxide (TiO2) is a well-known photocatalyst for self-cleaning coatings. In this paper, we report a VO2@TiO2 core-shell structure, in which the VO2 nanorod core exhibits a remarkable modulation ability for solar infrared light, and the TiO2 anatase shell exhibits significant photocatalytic degradation of organic dye. In addition, the TiO2 overcoating not only increased the luminous transmittance of VO2 based on an antireflection effect, but also modified the intrinsic colour of VO2 films from yellow to light blue. The TiO2 also enhanced the chemical stability of VO2 against oxidation. This is the first report of such a single nanoparticle structure with both thermochromic and photocatalytic properties that offer significant potential for creating a multifunctional smart coating. PMID:23546301

Core-shell VO2@TiO2 nanorods that combine thermochromic and photocatalytic properties for application as energy-saving smart coatings.

PubMed

Li, Yamei; Ji, Shidong; Gao, Yanfeng; Luo, Hongjie; Kanehira, Minoru

2013-01-01

Vanadium dioxide (VO2) is a Mott phase transition compound that can be applied as a thermochromic smart material for energy saving and comfort, and titanium dioxide (TiO2) is a well-known photocatalyst for self-cleaning coatings. In this paper, we report a VO2@TiO2 core-shell structure, in which the VO2 nanorod core exhibits a remarkable modulation ability for solar infrared light, and the TiO2 anatase shell exhibits significant photocatalytic degradation of organic dye. In addition, the TiO2 overcoating not only increased the luminous transmittance of VO2 based on an antireflection effect, but also modified the intrinsic colour of VO2 films from yellow to light blue. The TiO2 also enhanced the chemical stability of VO2 against oxidation. This is the first report of such a single nanoparticle structure with both thermochromic and photocatalytic properties that offer significant potential for creating a multifunctional smart coating.

Antioxidant activity of taxifolin: an activity-structure relationship.

PubMed

Topal, Fevzi; Nar, Meryem; Gocer, Hulya; Kalin, Pınar; Kocyigit, Umit M; Gülçin, İlhami; Alwasel, Saleh H

2016-08-01

Taxifolin is a kind of flavanonol, whose biological ability. The objectives of this study were to investigate the antioxidants and antiradical activities of taxifolin by using different in vitro bioanalytical antioxidant methods including DMPD√(+), ABTS√(+), [Formula: see text], and DPPH√-scavenging effects, the total antioxidant influence, reducing capabilities, and Fe(2+)-chelating activities. Taxifolin demonstrated 81.02% inhibition of linoleic acid emulsion peroxidation at 30 µg/mL concentration. At the same concentration, standard antioxidants including trolox, α-tocopherol, BHT, and BHA exhibited inhibitions of linoleic acid emulsion as 88.57, 73.88, 94.29, and 90.12%, respectively. Also, taxifolin exhibited effective DMPD√(+), ABTS√(+), [Formula: see text], and DPPH√-scavenging effects, reducing capabilities, and Fe(2+)-chelating effects. The results obtained from this study clearly showed that taxifolin had marked antioxidant, reducing ability, radical scavenging and metal-chelating activities. Also, this study exhibits a scientific shore for the significant antioxidant activity of taxifolin and its structure-activity insight.

Incomparable hardness and modulus of biomimetic porous polyurethane films prepared by directional melt crystallization of a solvent

NASA Astrophysics Data System (ADS)

An, Suyeong; Kim, Byoungsoo; Lee, Jonghwi

2017-07-01

Porous materials with surprisingly diverse structures have been utilized in nature for many functional purposes. However, the structures and applications of porous man-made polymer materials have been limited by the use of processing techniques involving foaming agents. Herein, we demonstrate for the first time the outstanding hardness and modulus properties of an elastomer that originate from the novel processing approach applied. Polyurethane films of 100-μm thickness with biomimetic ordered porous structures were prepared using directional melt crystallization of a solvent and exhibited hardness and modulus values that were 6.8 and 4.3 times higher than those of the random pore structure, respectively. These values surpass the theoretical prediction of the typical model for porous materials, which works reasonably well for random pores but not for directional pores. Both the ordered and random pore structures exhibited similar porosities and pore sizes, which decreased with increasing solution concentration. This unexpectedly significant improvement of the hardness and modulus could open up new application areas for porous polymeric materials using this relatively novel processing technique.

Increased Susceptibility to Atrial Fibrillation Secondary to Atrial Fibrosis in Transgenic Goats Expressing Transforming Growth Factor-β1

PubMed Central

Davies, Christopher J.; Regouski, Misha; Hall, Justin; Olsen, Aaron L.; Meng, Qinggang; Rutigliano, Heloisa M.; Dosdall, Derek J.; Angel, Nathan A.; Sachse, Frank B.; Seidel, Thomas; Thomas, Aaron J.; Stott, Rusty; Panter, Kip E.; Lee, Pamela M.; Van Wettere, Arnaud J.; Stevens, John R.; Wang, Zhongde; MacLeod, Rob S.; Marrouche, Nassir F.; White, Kenneth L.

2016-01-01

Introduction Large animal models of progressive atrial fibrosis would provide an attractive platform to study relationship between structural and electrical remodeling in atrial fibrillation (AF). Here we established a new transgenic goat model of AF with cardiac specific overexpression of TGF-β1 and investigated the changes in the cardiac structure and function leading to AF. Methods and Results Transgenic goats with cardiac specific overexpression of constitutively active TGF-β1 were generated by somatic cell nuclear transfer. We examined myocardial tissue, ECGs, echocardiographic data, and AF susceptibility in transgenic and wild-type control goats. Transgenic goats exhibited significant increase in fibrosis and myocyte diameters in the atria compared to controls, but not in the ventricles. P-wave duration was significantly greater in transgenic animals starting at 12-month of age, but no significant chamber enlargement was detected, suggesting conduction slowing in the atria. Furthermore, this transgenic goat model exhibited a significant increase in AF vulnerability. Six of 8 transgenic goats (75%) were susceptible to AF induction and exhibited sustained AF (>2 minutes), whereas, none of 6 controls displayed sustained AF (P<0.01). Length of induced AF episodes was also significantly greater in the transgenic group compared to controls (687±212.02 vs. 2.50±0.88 seconds, P<0.0001), but no persistent or permanent AF was observed. Conclusion A novel transgenic goat model with a substrate for AF was generated. In this model, cardiac overexpression of TGF-β1 led to an increase in fibrosis and myocyte size in the atria, and to progressive P-wave prolongation. We suggest that these factors underlie increased AF susceptibility. PMID:27447370

Increased Susceptibility to Atrial Fibrillation Secondary to Atrial Fibrosis in Transgenic Goats Expressing Transforming Growth Factor-β1.

PubMed

Polejaeva, Irina A; Ranjan, Ravi; Davies, Christopher J; Regouski, Misha; Hall, Justin; Olsen, Aaron L; Meng, Qinggang; Rutigliano, Heloisa M; Dosdall, Derek J; Angel, Nathan A; Sachse, Frank B; Seidel, Thomas; Thomas, Aaron J; Stott, Rusty; Panter, Kip E; Lee, Pamela M; Van Wettere, Arnaud J; Stevens, John R; Wang, Zhongde; MacLeod, Rob S; Marrouche, Nassir F; White, Kenneth L

2016-10-01

Large animal models of progressive atrial fibrosis would provide an attractive platform to study relationship between structural and electrical remodeling in atrial fibrillation (AF). Here we established a new transgenic goat model of AF with cardiac specific overexpression of TGF-β1 and investigated the changes in the cardiac structure and function leading to AF. Transgenic goats with cardiac specific overexpression of constitutively active TGF-β1 were generated by somatic cell nuclear transfer. We examined myocardial tissue, ECGs, echocardiographic data, and AF susceptibility in transgenic and wild-type control goats. Transgenic goats exhibited significant increase in fibrosis and myocyte diameters in the atria compared to controls, but not in the ventricles. P-wave duration was significantly greater in transgenic animals starting at 12 months of age, but no significant chamber enlargement was detected, suggesting conduction slowing in the atria. Furthermore, this transgenic goat model exhibited a significant increase in AF vulnerability. Six of 8 transgenic goats (75%) were susceptible to AF induction and exhibited sustained AF (>2 minutes), whereas none of 6 controls displayed sustained AF (P < 0.01). Length of induced AF episodes was also significantly greater in the transgenic group compared to controls (687 ± 212.02 seconds vs. 2.50 ± 0.88 seconds, P < 0.0001), but no persistent or permanent AF was observed. A novel transgenic goat model with a substrate for AF was generated. In this model, cardiac overexpression of TGF-β1 led to an increase in fibrosis and myocyte size in the atria, and to progressive P-wave prolongation. We suggest that these factors underlie increased AF susceptibility. © 2016 Wiley Periodicals, Inc.

Nanoparticle-Mediated Physical Exfoliation of Aqueous-Phase Graphene for Fabrication of Three-Dimensionally Structured Hybrid Electrodes.

PubMed

Lee, Younghee; Choi, Hojin; Kim, Min-Sik; Noh, Seonmyeong; Ahn, Ki-Jin; Im, Kyungun; Kwon, Oh Seok; Yoon, Hyeonseok

2016-01-27

Monodispersed polypyrrole (PPy) nanospheres were physically incorporated as guest species into stacked graphene layers without significant property degradation, thereby facilitating the formation of unique three-dimensional hybrid nanoarchitecture. The electrochemical properties of the graphene/particulate PPy (GPPy) nanohybrids were dependent on the sizes and contents of the PPy nanospheres. The nanohybrids exhibited optimum electrochemical performance in terms of redox activity, charge-transfer resistance, and specific capacitance at an 8:1 PPy/graphite (graphene precursor) weight ratio. The packing density of the alternately stacked nanohybrid structure varied with the nanosphere content, indicating the potential for high volumetric capacitance. The nanohybrids also exhibited good long-term cycling stability because of a structural synergy effect. Finally, fabricated nanohybrid-based flexible all-solid state capacitor cells exhibited good electrochemical performance in an acidic electrolyte with a maximum energy density of 8.4 Wh kg(-1) or 1.9 Wh L(-1) at a maximum power density of 3.2 kW kg(-1) or 0.7 kW L(-1); these performances were based on the mass or packing density of the electrode materials.

Nanoparticle-Mediated Physical Exfoliation of Aqueous-Phase Graphene for Fabrication of Three-Dimensionally Structured Hybrid Electrodes

PubMed Central

Lee, Younghee; Choi, Hojin; Kim, Min-Sik; Noh, Seonmyeong; Ahn, Ki-Jin; Im, Kyungun; Kwon, Oh Seok; Yoon, Hyeonseok

2016-01-01

Monodispersed polypyrrole (PPy) nanospheres were physically incorporated as guest species into stacked graphene layers without significant property degradation, thereby facilitating the formation of unique three-dimensional hybrid nanoarchitecture. The electrochemical properties of the graphene/particulate PPy (GPPy) nanohybrids were dependent on the sizes and contents of the PPy nanospheres. The nanohybrids exhibited optimum electrochemical performance in terms of redox activity, charge-transfer resistance, and specific capacitance at an 8:1 PPy/graphite (graphene precursor) weight ratio. The packing density of the alternately stacked nanohybrid structure varied with the nanosphere content, indicating the potential for high volumetric capacitance. The nanohybrids also exhibited good long-term cycling stability because of a structural synergy effect. Finally, fabricated nanohybrid-based flexible all–solid state capacitor cells exhibited good electrochemical performance in an acidic electrolyte with a maximum energy density of 8.4 Wh kg−1 or 1.9 Wh L−1 at a maximum power density of 3.2 kW kg−1 or 0.7 kW L−1; these performances were based on the mass or packing density of the electrode materials. PMID:26813878

Comparison of Failure Process of Bended Beams Reinforced with Steel Bars and GFRP Bars

NASA Astrophysics Data System (ADS)

Kaszyńska, Maria; Błyszko, Jarosław; Olczyk, Norbert

2017-10-01

The Fibre Reinforced Polymer (FRP) composite rebar has been used in civil engineering structures for several years. It has many characteristics, which not only are equal to those of steel rebar, but significantly surpass them. The composite rebar has high corrosion resistance, electromagnetic neutrality and has much higher tensile strength than steel. Also, because of its low weight and easy processing composite rebar is convenient for shipment and use. Development of architectural concrete technology in past years opens new, interesting perspectives for use of composite rebar. However, implementation of those concretes in structures is often burdened with many issues, especially concerning faulty performance. One of it is rebar’s corrosion, visible on the surface of the element as rusty stains. Even if the structure was properly developed meeting all the requirements for texture, porosity or colour uniformity, and rusty stains can completely destroy the final decorative effect of concrete’s surface. Despite many advantages, the use of composite rebar in reinforced structures creates significant number of new “behaviours” in its different working stages. Structures reinforced with the steel rebar will behave differently than the ones with composite FRP rebar under continuous load, in case of a fire, exposed to aggressive environment or at breaking point. In the latter, significant role plays its linear-elastic behaviour in the whole tensile range till rupture. This means that the FPR rebar does not exhibit plastic deformation and reaches its bearing capacity suddenly without any visible signs. This should be considered during designing stage and included as an additional reduction coefficient. The article presents result of research and analysis of destructive tests performed on concrete beams reinforced with traditional steel rebar and composite rebar made of glass fibre and braided with basaltic (GFRP). Four single-span simply supported beams under static load were tested. Both types of beams were designed to have the same bearing capacity. Beams reinforced with GFRP rebar exhibited much bigger cracking than traditionally reinforced bars. The width of cracks appearing in beams reinforced with GFRP bars was equal or greater than limit values (0.4 mm) even though the ratio of moment of resistance and cracking moment was greater than 3. The composite rebar exhibits many significant advantages over steel rebar, but its rather low Young’s modulus comparing to steel causes exceeded deflection and cracking of bended concrete elements.

Crystal structure studies of NADP{sup +} dependent isocitrate dehydrogenase from Thermus thermophilus exhibiting a novel terminal domain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, S.M.; Pampa, K.J.; Manjula, M.

2014-06-20

Highlights: • We determined the structure of isocitrate dehydrogenase with citrate and cofactor. • The structure reveals a unique novel terminal domain involved in dimerization. • Clasp domain shows significant difference, and catalytic residues are conserved. • Oligomerization of the enzyme is quantized with subunit-subunit interactions. • Novel domain of this enzyme is classified as subfamily of the type IV. - Abstract: NADP{sup +} dependent isocitrate dehydrogenase (IDH) is an enzyme catalyzing oxidative decarboxylation of isocitrate into oxalosuccinate (intermediate) and finally the product α-ketoglutarate. The crystal structure of Thermus thermophilus isocitrate dehydrogenase (TtIDH) ternary complex with citrate and cofactor NADP{supmore » +} was determined using X-ray diffraction method to a resolution of 1.80 Å. The overall fold of this protein was resolved into large domain, small domain and a clasp domain. The monomeric structure reveals a novel terminal domain involved in dimerization, very unique and novel domain when compared to other IDH’s. And, small domain and clasp domain showing significant differences when compared to other IDH’s of the same sub-family. The structure of TtIDH reveals the absence of helix at the clasp domain, which is mainly involved in oligomerization in other IDH’s. Also, helices/beta sheets are absent in the small domain, when compared to other IDH’s of the same sub family. The overall TtIDH structure exhibits closed conformation with catalytic triad residues, Tyr144-Asp248-Lys191 are conserved. Oligomerization of the protein is quantized using interface area and subunit–subunit interactions between protomers. Overall, the TtIDH structure with novel terminal domain may be categorized as a first structure of subfamily of type IV.« less

Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Le; Pratt, John K.; Soltwedel, Todd

Members of the BET family of bromodomain containing proteins have been identified as potential targets for blocking proliferation in a variety of cancer cell lines. A two-dimensional NMR fragment screen for binders to the bromodomains of BRD4 identified a phenylpyridazinone fragment with a weak binding affinity (1, Ki = 160 μM). SAR investigation of fragment 1, aided by X-ray structure-based design, enabled the synthesis of potent pyridone and macrocyclic pyridone inhibitors exhibiting single digit nanomolar potency in both biochemical and cell based assays. Advanced analogs in these series exhibited high oral exposures in rodent PK studies and demonstrated significant tumormore » growth inhibition efficacy in mouse flank xenograft models.« less

Compliance of secondary production and eco-exergy as indicators of benthic macroinvertebrates assemblages' response to canopy cover conditions in Neotropical headwater streams.

PubMed

Linares, Marden Seabra; Callisto, Marcos; Marques, João Carlos

2018-02-01

Riparian vegetation cover influences benthic assemblages structure and functioning in headwater streams, as it regulates light availability and autochthonous primary production in these ecosystems.Secondary production, diversity, and exergy-based indicators were applied in capturing how riparian cover influences the structure and functioning of benthic macroinvertebrate assemblages in tropical headwater streams. Four hypotheses were tested: (1) open canopy will determine the occurrence of higher diversity in benthic macroinvertebrate assemblages; (2) streams with open canopy will exhibit more complex benthic macroinvertebrate communities (in terms of information embedded in the organisms' biomass); (3) in streams with open canopy benthic macroinvertebrate assemblages will be more efficient in using the available resources to build structure, which will be reflected by higher eco-exergy values; (4) benthic assemblages in streams with open canopy will exhibit more secondary productivity. We selected eight non-impacted headwater streams, four shaded and four with open canopy, all located in the Neotropical savannah (Cerrado) of southeastern Brazil. Open canopy streams consistently exhibited significantly higher eco-exergy and instant secondary production values, exemplifying that these streams may support more complex and productive benthic macroinvertebrate assemblages. Nevertheless, diversity indices and specific eco-exergy were not significantly different in shaded and open canopy streams. Since all the studied streams were selected for being considered as non-impacted, this suggests that the potential represented by more available food resources was not used to build a more complex dissipative structure. These results illustrate the role and importance of the canopy cover characteristics on the structure and functioning of benthic macroinvertebrate assemblages in tropical headwater streams, while autochthonous production appears to play a crucial role as food source for benthic macroinvertebrates. This study also highlights the possible application of thermodynamic based indicators as tools to guide environmental managers in developing and implementing policies in the neotropical savannah. Copyright © 2017 Elsevier B.V. All rights reserved.

Dramatic Increases of Soil Microbial Functional Gene Diversity at the Treeline Ecotone of Changbai Mountain.

PubMed

Shen, Congcong; Shi, Yu; Ni, Yingying; Deng, Ye; Van Nostrand, Joy D; He, Zhili; Zhou, Jizhong; Chu, Haiyan

2016-01-01

The elevational and latitudinal diversity patterns of microbial taxa have attracted great attention in the past decade. Recently, the distribution of functional attributes has been in the spotlight. Here, we report a study profiling soil microbial communities along an elevation gradient (500-2200 m) on Changbai Mountain. Using a comprehensive functional gene microarray (GeoChip 5.0), we found that microbial functional gene richness exhibited a dramatic increase at the treeline ecotone, but the bacterial taxonomic and phylogenetic diversity based on 16S rRNA gene sequencing did not exhibit such a similar trend. However, the β-diversity (compositional dissimilarity among sites) pattern for both bacterial taxa and functional genes was similar, showing significant elevational distance-decay patterns which presented increased dissimilarity with elevation. The bacterial taxonomic diversity/structure was strongly influenced by soil pH, while the functional gene diversity/structure was significantly correlated with soil dissolved organic carbon (DOC). This finding highlights that soil DOC may be a good predictor in determining the elevational distribution of microbial functional genes. The finding of significant shifts in functional gene diversity at the treeline ecotone could also provide valuable information for predicting the responses of microbial functions to climate change.

Structural and optical properties of semi-polar (11-22) InGaN/GaN green light-emitting diode structure

NASA Astrophysics Data System (ADS)

Zhao, Guijuan; Wang, Lianshan; Li, Huijie; Meng, Yulin; Li, Fangzheng; Yang, Shaoyan; Wang, Zhanguo

2018-01-01

Semi-polar (11-22) InGaN multiple quantum well (MQW) green light-emitting diode (LED) structures have been realized by metal-organic chemical vapor deposition on an m-plane sapphire substrate. By introducing double GaN buffer layers, we improve the crystal quality of semi-polar (11-22) GaN significantly. The vertical alignment of the diffraction peaks in the (11-22) X-ray reciprocal space mapping indicates the fully strained MQW on the GaN layer. The photoluminescence spectra of the LED structure show stronger emission intensity along the [1-100] InGaN/GaN direction. The electroluminescence emission of the LED structure is very broad with peaks around 550 nm and 510 nm at the 100 mA current injection for samples A and B, respectively, and exhibits a significant blue-shift with increasing drive current.

Abnormalities of thalamic activation and cognition in schizophrenia.

PubMed

Andrews, Jessica; Wang, Lei; Csernansky, John G; Gado, Mokhtar H; Barch, Deanna M

2006-03-01

Functional and structural magnetic resonance imaging (MRI) was used to investigate relationships among structure, functional activation, and cognitive deficits related to the thalamus in individuals with schizophrenia and healthy comparison subjects. Thirty-six schizophrenia subjects and 28 healthy comparison subjects matched by age, gender, race, and parental socioeconomic status underwent structural and functional MRI while performing a series of memory tasks, including an N-back task (working memory), intentional memorization of a series of pictures or words (episodic encoding), and a yes/no recognition task. Functional activation magnitudes in seven regions of interest within the thalamic complex, as defined by anatomical and functional criteria, were computed for each group. Participants with schizophrenia exhibited decreased activation within the whole thalamus, the anterior nuclei, and the medial dorsal nucleus. These nuclei overlap with subregions of the thalamic surface that the authors previously reported to exhibit morphological abnormalities in schizophrenia. However, there were no significant correlations between specific dimensions of thalamic shape variation (i.e., eigenvectors) and the activation patterns within thalamic regions of interest. Better performance on the working memory task among individuals with schizophrenia was significantly associated with increased activation in the anterior nuclei, the centromedian nucleus, the pulvinar, and the ventrolateral nuclei. These results suggest that there are limited relationships between morphological and functional abnormalities of the thalamus in schizophrenia subjects and highlight the importance of investigating relationships between brain structure and function.

Cancer Associated E17K Mutation Causes Rapid Conformational Drift in AKT1 Pleckstrin Homology (PH) Domain

PubMed Central

Kumar, Ambuj; Purohit, Rituraj

2013-01-01

Background AKT1 (v-akt murine thymoma viral oncogene homologue 1) kinase is one of the most frequently activated proliferated and survival pathway of cancer. Recently it has been shown that E17K mutation in the Pleckstrin Homology (PH) domain of AKT1 protein leads to cancer by amplifying the phosphorylation and membrane localization of protein. The mutant has shown resistance to AKT1/2 inhibitor VIII drug molecule. In this study we have demonstrated the detailed structural and molecular consequences associated with the activity regulation of mutant protein. Methods The docking score exhibited significant loss in the interaction affinity to AKT1/2 inhibitor VIII drug molecule. Furthermore, the molecular dynamics simulation studies presented an evidence of rapid conformational drift observed in mutant structure. Results There was no stability loss in mutant as compared to native structure and the major cation–π interactions were also shown to be retained. Moreover, the active residues involved in membrane localization of protein exhibited significant rise in NHbonds formation in mutant. The rise in NHbond formation in active residues accounts for the 4-fold increase in the membrane localization potential of protein. Conclusion The overall result suggested that, although the mutation did not induce any stability loss in structure, the associated pathological consequences might have occurred due to the rapid conformational drifts observed in the mutant AKT1 PH domain. General Significance The methodology implemented and the results obtained in this work will facilitate in determining the core molecular mechanisms of cancer-associated mutations and in designing their potential drug inhibitors. PMID:23741320

Systemic regulation of leaf anatomical structure, photosynthetic performance, and high-light tolerance in sorghum.

PubMed

Jiang, Chuang-Dao; Wang, Xin; Gao, Hui-Yuan; Shi, Lei; Chow, Wah Soon

2011-03-01

Leaf anatomy of C3 plants is mainly regulated by a systemic irradiance signal. Since the anatomical features of C4 plants are different from that of C3 plants, we investigated whether the systemic irradiance signal regulates leaf anatomical structure and photosynthetic performance in sorghum (Sorghum bicolor), a C4 plant. Compared with growth under ambient conditions (A), no significant changes in anatomical structure were observed in newly developed leaves by shading young leaves alone (YS). Shading mature leaves (MS) or whole plants (S), on the other hand, caused shade-leaf anatomy in newly developed leaves. By contrast, chloroplast ultrastructure in developing leaves depended only on their local light conditions. Functionally, shading young leaves alone had little effect on their net photosynthetic capacity and stomatal conductance, but shading mature leaves or whole plants significantly decreased these two parameters in newly developed leaves. Specifically, the net photosynthetic rate in newly developed leaves exhibited a positive linear correlation with that of mature leaves, as did stomatal conductance. In MS and S treatments, newly developed leaves exhibited severe photoinhibition under high light. By contrast, newly developed leaves in A and YS treatments were more resistant to high light relative to those in MS- and S-treated seedlings. We suggest that (1) leaf anatomical structure, photosynthetic capacity, and high-light tolerance in newly developed sorghum leaves were regulated by a systemic irradiance signal from mature leaves; and (2) chloroplast ultrastructure only weakly influenced the development of photosynthetic capacity and high-light tolerance. The potential significance of the regulation by a systemic irradiance signal is discussed.

Mechanical, structural and thermal properties of Ag-Cu and ZnO reinforced polylactide nanocomposite films.

PubMed

Ahmed, Jasim; Arfat, Yasir Ali; Castro-Aguirre, Edgar; Auras, Rafael

2016-05-01

Plasticized polylactic acid (PLA) based nanocomposite films were prepared by incorporating polyethylene glycol (PEG) and two selected nanoparticles (NPs) [silver-copper (Ag-Cu) alloy (<100 nm) and zinc oxide (ZnO) (<50 and <100 nm)] through solvent casting method. Incorporation of Ag-Cu alloy into the PLA/PEG matrix increased the glass transition temperature (Tg) significantly. The crystallinity of the nanocomposites (NCs) was significantly influenced by NP incorporation as evidenced from differential scanning calorimetry (DSC) and X-ray diffraction (XRD) analysis. The PLA nanocomposite reinforced with NPs exhibited much higher tensile strength than that of PLA/PEG blend. Melt rheology of NCs exhibited a shear-thinning behavior. The mechanical property drastically reduced with a loading of NPs, which is associated with degradation of PLA. SEM micrographs exhibited that both Ag-Cu alloy and ZnO NPs were dispersed well in the PLA film matrix. Copyright © 2016 Elsevier B.V. All rights reserved.

Solution structure and backbone dynamics of the N-terminal region of the calcium regulatory domain from soybean calcium-dependent protein kinase alpha.

PubMed

Weljie, Aalim M; Gagné, Stéphane M; Vogel, Hans J

2004-12-07

Ca(2+)-dependent protein kinases (CDPKs) are vital Ca(2+)-signaling proteins in plants and protists which have both a kinase domain and a self-contained calcium regulatory calmodulin-like domain (CLD). Despite being very similar to CaM (>40% identity) and sharing the same fold, recent biochemical and structural evidence suggests that the behavior of CLD is distinct from its namesake, calmodulin. In this study, NMR spectroscopy is employed to examine the structure and backbone dynamics of a 168 amino acid Ca(2+)-saturated construct of the CLD (NtH-CLD) in which almost the entire C-terminal domain is exchange broadened and not visible in the NMR spectra. Structural characterization of the N-terminal domain indicates that the first Ca(2+)-binding loop is significantly more open than in a recently reported structure of the CLD complexed with a putative intramolecular binding region (JD) in the CDPK. Backbone dynamics suggest that parts of the third helix exhibit unusually high mobility, and significant exchange, consistent with previous findings that this helix interacts with the C-terminal domain. Dynamics data also show that the "tether" region, consisting of the first 11 amino acids of CLD, is highly mobile and these residues exhibit distinctive beta-type secondary structure, which may help to position the JD and CLD. Finally, the unusual global dynamic behavior of the protein is rationalized on the basis of possible interdomain rearrangements and the highly variable environments of the C- and N-terminal domains.

Structural characterization of ZnO thin films grown on various substrates by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Novotný, M.; Čížek, J.; Kužel, R.; Bulíř, J.; Lančok, J.; Connolly, J.; McCarthy, E.; Krishnamurthy, S.; Mosnier, J.-P.; Anwand, W.; Brauer, G.

2012-06-01

ZnO thin films were grown by pulsed laser deposition on three different substrates: sapphire (0 0 0 1), MgO (1 0 0) and fused silica (FS). The structure and morphology of the films were characterized by x-ray diffraction and scanning electron microscopy and defect studies were carried out using slow positron implantation spectroscopy (SPIS). Films deposited on all substrates studied in this work exhibit the wurtzite ZnO structure and are characterized by an average crystallite size of 20-100 nm. However, strong differences in the microstructure of films deposited on various substrates were found. The ZnO films deposited on MgO and sapphire single-crystalline substrates exhibit local epitaxy, i.e. a well-defined relation between film crystallites and the substrate. Domains with different orientation relationships with the substrate were found in both films. On the other hand, the film deposited on the FS substrate exhibits fibre texture with random lateral orientation of crystallites. Extremely high compressive in-plane stress of σ ˜ 14 GPa was determined in the film deposited on the MgO substrate, while the film deposited on sapphire is virtually stress-free, and the film deposited on the FS substrate exhibits a tensile in-plane stress of σ ˜ 0.9 GPa. SPIS investigations revealed that the concentration of open-volume defects in the ZnO films is substantially higher than that in a bulk ZnO single crystal. Moreover, the ZnO films deposited on MgO and sapphire single-crystalline substrates exhibit a significantly higher density of defects than the film deposited on the amorphous FS substrate.

Explosive decomposition of a melamine-cyanuric acid supramolecular assembly for fabricating defect-rich nitrogen-doped carbon nanotubes with significantly promoted catalysis.

PubMed

Zhao, Zhongkui; Dai, Yitao; Ge, Guifang; Wang, Guiru

2015-05-26

A facile and scalable approach for fabricating structural defect-rich nitrogen-doped carbon nanotubes (MCSA-CNTs) through explosive decomposition of melamine-cyanuric acid supramolecular assembly is presented. In comparison to pristine carbon nanotubes, MCSA-CNT exhibits significantly enhanced catalytic performance in oxidant- and steam-free direct dehydrogenation of ethylbenzene, demonstrating the potential for metal-free clean and energy-saving styrene production. This finding also opens a new horizon for preparing highly-efficient carbocatalysts rich in structural defect sites for diverse transformations. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Amorphous SiC as a structural layer in microbridge-based RF MEMS switches for use in software-defined radio

NASA Astrophysics Data System (ADS)

Parro, Rocco J.; Scardelletti, Maximilian C.; Varaljay, Nicholas C.; Zimmerman, Sloan; Zorman, Christian A.

2008-10-01

This paper reports an effort to develop amorphous silicon carbide (a-SiC) films for use in shunt capacitor RF MEMS microbridge-based switches. The films were deposited using methane and silane as the precursor gases. Switches were fabricated using 500 nm and 300 nm-thick a-SiC films to form the microbridges. Switches made from metallized 500 nm-thick SiC films exhibited favorable mechanical performance but poor RF performance. In contrast, switches made from metallized 300 nm-thick SiC films exhibited excellent RF performance but poor mechanical performance. Load-deflection testing of unmetallized and metallized bulk micromachined SiC membranes indicates that the metal layers have a small effect on the Young's modulus of the 500 nm and 300 nm-thick SiC MEMS. As for residual stress, the metal layers have a modest effect on the 500 nm-thick structures, but a significant affect on the residual stress in the 300 nm-thick structures.

A Novel Characterization of Amalgamated Networks in Natural Systems

PubMed Central

Barranca, Victor J.; Zhou, Douglas; Cai, David

2015-01-01

Densely-connected networks are prominent among natural systems, exhibiting structural characteristics often optimized for biological function. To reveal such features in highly-connected networks, we introduce a new network characterization determined by a decomposition of network-connectivity into low-rank and sparse components. Based on these components, we discover a new class of networks we define as amalgamated networks, which exhibit large functional groups and dense connectivity. Analyzing recent experimental findings on cerebral cortex, food-web, and gene regulatory networks, we establish the unique importance of amalgamated networks in fostering biologically advantageous properties, including rapid communication among nodes, structural stability under attacks, and separation of network activity into distinct functional modules. We further observe that our network characterization is scalable with network size and connectivity, thereby identifying robust features significant to diverse physical systems, which are typically undetectable by conventional characterizations of connectivity. We expect that studying the amalgamation properties of biological networks may offer new insights into understanding their structure-function relationships. PMID:26035066

How similar is the electronic structures of β-lactam and alanine?

NASA Astrophysics Data System (ADS)

Chatterjee, Subhojyoti; Ahmed, Marawan; Wang, Feng

2016-02-01

The C1s spectra of β-lactam i.e. 2-azetidinone (C3H5NO), a drug and L-alanine (C3H7NO2), an amino acid, exhibit striking similarities, which may be responsible for the competition between 2-azetidinone and the alanyl-alanine moiety in biochemistry. The present study is to reveal the degree of similarities and differences between their electronic structures of the two model molecular pairs. It is found that the similarities in C1s and inner valence binding energy spectra are due to their bonding connections but other properties such as ring structure (in 2-azetidinone) and chiral carbon (alanine) can be very different. Further, the inner valence region of ionization potential greater than 18 eV for 2-azetidinone and alanine is also significantly similar. Finally the strained lactam ring exhibits more chemical reactivity measured at all non-hydrogen atoms by Fukui functions with respect to alanine.

Confined semiflexible polymers suppress fluctuations of soft membrane tubes.

PubMed

Mirzaeifard, Sina; Abel, Steven M

2016-02-14

We use Monte Carlo computer simulations to investigate tubular membrane structures with and without semiflexible polymers confined inside. At small values of membrane bending rigidity, empty fluid and non-fluid membrane tubes exhibit markedly different behavior, with fluid membranes adopting irregular, highly fluctuating shapes and non-fluid membranes maintaining extended tube-like structures. Fluid membranes, unlike non-fluid membranes, exhibit a local maximum in specific heat as their bending rigidity increases. The peak is coincident with a transition to extended tube-like structures. We further find that confining a semiflexible polymer within a fluid membrane tube reduces the specific heat of the membrane, which is a consequence of suppressed membrane shape fluctuations. Polymers with a sufficiently large persistence length can significantly deform the membrane tube, with long polymers leading to localized bulges in the membrane that accommodate regions in which the polymer forms loops. Analytical calculations of the energies of idealized polymer-membrane configurations provide additional insight into the formation of polymer-induced membrane deformations.

Structural, Electronic, and Electrochemical Properties of LixCo[Fe(CN)6]0.902.9H2O

NASA Astrophysics Data System (ADS)

Takachi, Masamitsu; Matsuda, Tomoyuki; Moritomo, Yutaka

2013-04-01

Prussian blue analogues with jungle-gym-type structure are promising candidates for cathode materials of the lithium-ion secondary battery (LIB). Here, we investigated the structural, electronic, and electrochemical properties of cobalt hexacyanoferrate, LixCo[Fe(CN)6]0.902.9H2O, against Li concentration (x). The capacity (= 139 mAh/g) of the thin-film electrode was close to the ideal value (= 132 mAh/g) for the two-electron reaction. The discharge curve exhibits three plateaus, i.e., plateaus I, II, and III. The material exhibits a first-order phase transition accompanied by significant volume expansion by 7% at the boundary between plateaus II and III. Ex situ X-ray absorption spectroscopy (XAS) indicates that the discharge processes of plateaus I, II, and III are ascribed to the reduction processes of Fe3+, Co3+, and Fe3+, respectively. The rate (r) and cycle (n) dependence of the electrode performance will be discussed in terms of the reduction processes.

High-performance III-V MOSFET with nano-stacked high-k gate dielectric and 3D fin-shaped structure.

PubMed

Chen, Szu-Hung; Liao, Wen-Shiang; Yang, Hsin-Chia; Wang, Shea-Jue; Liaw, Yue-Gie; Wang, Hao; Gu, Haoshuang; Wang, Mu-Chun

2012-08-01

A three-dimensional (3D) fin-shaped field-effect transistor structure based on III-V metal-oxide-semiconductor field-effect transistor (MOSFET) fabrication has been demonstrated using a submicron GaAs fin as the high-mobility channel. The fin-shaped channel has a thickness-to-width ratio (TFin/WFin) equal to 1. The nano-stacked high-k Al2O3 dielectric was adopted as a gate insulator in forming a metal-oxide-semiconductor structure to suppress gate leakage. The 3D III-V MOSFET exhibits outstanding gate controllability and shows a high Ion/Ioff ratio > 105 and a low subthreshold swing of 80 mV/decade. Compared to a conventional Schottky gate metal-semiconductor field-effect transistor or planar III-V MOSFETs, the III-V MOSFET in this work exhibits a significant performance improvement and is promising for future development of high-performance n-channel devices based on III-V materials.

High-performance III-V MOSFET with nano-stacked high-k gate dielectric and 3D fin-shaped structure

PubMed Central

2012-01-01

A three-dimensional (3D) fin-shaped field-effect transistor structure based on III-V metal-oxide-semiconductor field-effect transistor (MOSFET) fabrication has been demonstrated using a submicron GaAs fin as the high-mobility channel. The fin-shaped channel has a thickness-to-width ratio (TFin/WFin) equal to 1. The nano-stacked high-k Al2O3 dielectric was adopted as a gate insulator in forming a metal-oxide-semiconductor structure to suppress gate leakage. The 3D III-V MOSFET exhibits outstanding gate controllability and shows a high Ion/Ioff ratio > 105 and a low subthreshold swing of 80 mV/decade. Compared to a conventional Schottky gate metal–semiconductor field-effect transistor or planar III-V MOSFETs, the III-V MOSFET in this work exhibits a significant performance improvement and is promising for future development of high-performance n-channel devices based on III-V materials. PMID:22853458

Long range stress correlations in the inherent structures of liquids at rest

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chowdhury, Sadrul; Abraham, Sneha; Hudson, Toby

2016-03-28

Simulation studies of the atomic shear stress in the local potential energy minima (inherent structures) are reported for binary liquid mixtures in 2D and 3D. These inherent structure stresses are fundamental to slow stress relaxation and high viscosity in supercooled liquids. We find that the atomic shear stress in the inherent structures (IS’s) of both liquids at rest exhibits slowly decaying anisotropic correlations. We show that the stress correlations contribute significantly to the variance of the total shear stress of the IS configurations and consider the origins of the anisotropy and spatial extent of the stress correlations.

Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.

PubMed

Shanker, Sreejesh; Czako, Rita; Sankaran, Banumathi; Atmar, Robert L; Estes, Mary K; Prasad, B V Venkataram

2014-06-01

Human noroviruses (NoVs) cause acute epidemic gastroenteritis. Susceptibility to the majority of NoV infections is determined by genetically controlled secretor-dependent expression of histo-blood group antigens (HBGAs), which are also critical for NoV attachment to host cells. Human NoVs are classified into two major genogroups (genogroup I [GI] and GII), with each genogroup further divided into several genotypes. GII NoVs are more prevalent and exhibit periodic emergence of new variants, suggested to be driven by altered HBGA binding specificities and antigenic drift. Recent epidemiological studies show increased activity among GI NoVs, with some members showing the ability to bind nonsecretor HBGAs. NoVs bind HBGAs through the protruding (P) domain of the major capsid protein VP1. GI NoVs, similar to GII, exhibit significant sequence variations in the P domain; it is unclear how these variations affect HBGA binding specificities. To understand the determinants of possible strain-specific HBGA binding among GI NoVs, we determined the structure of the P domain of a GI.7 clinical isolate and compared it to the previously determined P domain structures of GI.1 and GI.2 strains. Our crystallographic studies revealed significant structural differences, particularly in the loop regions of the GI.7 P domain, altering its surface topography and electrostatic landscape and potentially indicating antigenic variation. The GI.7 strain bound to H- and A-type, Lewis secretor, and Lewis nonsecretor families of HBGAs, allowing us to further elucidate the structural determinants of nonsecretor HBGA binding among GI NoVs and to infer several contrasting and generalizable features of HBGA binding in the GI NoVs. Human noroviruses (NoVs) cause acute epidemic gastroenteritis. Recent epidemiological studies have shown increased prevalence of genogroup I (GI) NoVs. Although secretor-positive status is strongly correlated with NoV infection, cases of NoV infection associated with secretor-negative individuals are reported. Biochemical studies have shown that GI NoVs exhibit genotype-dependent binding to nonsecretor histo-blood group antigens (HBGAs). From our crystallographic studies of a GI.7 NoV, in comparison with previous studies on GI.1 and GI.2 NoVs, we show that genotypic differences translate to extensive structural changes in the loop regions that significantly alter the surface topography and electrostatic landscape of the P domain; these features may be indicative of antigenic variations contributing to serotypic differentiation in GI NoVs and also differential modulation of the HBGA binding characteristics. A significant finding is that the threshold length and the structure of one of the loops are critical determinants in the binding of GI NoVs to nonsecretor HBGAs.

Visual Receptive Field Structure of Cortical Inhibitory Neurons Revealed by Two-Photon Imaging Guided Recording

PubMed Central

Liu, Bao-hua; Li, Pingyang; Li, Ya-tang; Sun, Yujiao J.; Yanagawa, Yuchio; Obata, Kunihiko; Zhang, Li I.; Tao, Huizhong W.

2009-01-01

Synaptic inhibition plays an important role in shaping receptive field (RF) properties in the visual cortex. However, the underlying mechanisms remain not well understood, partly due to difficulties in systematically studying functional properties of cortical inhibitory neurons in vivo. Here, we established two-photon imaging guided cell-attached recordings from genetically labelled inhibitory neurons and nearby “shadowed” excitatory neurons in the primary visual cortex of adult mice. Our results revealed that in layer 2/3, the majority of excitatory neurons exhibited both On and Off spike subfields, with their spatial arrangement varying from being completely segregated to overlapped. On the other hand, most layer 4 excitatory neurons exhibited only one discernable subfield. Interestingly, no RF structure with significantly segregated On and Off subfields was observed for layer 2/3 inhibitory neurons of either the fast-spike or regular-spike type. They predominantly possessed overlapped On and Off subfields with a significantly larger size than the excitatory neurons, and exhibited much weaker orientation tuning. These results from the mouse visual cortex suggest that different from the push-pull model proposed for simple cells, layer 2/3 simple-type neurons with segregated spike On and Off subfields likely receive spatially overlapped inhibitory On and Off inputs. We propose that the phase-insensitive inhibition can enhance the spatial distinctiveness of On and Off subfields through a gain control mechanism. PMID:19710305

Lamin-like analogues in plants: the characterization of NMCP1 in Allium cepa

PubMed Central

Moreno Díaz de la Espina, Susana

2013-01-01

The nucleoskeleton of plants contains a peripheral lamina (also called plamina) and, even though lamins are absent in plants, their roles are still fulfilled in plant nuclei. One of the most intriguing topics in plant biology concerns the identity of lamin protein analogues in plants. Good candidates to play lamin functions in plants are the members of the NMCP (nuclear matrix constituent protein) family, which exhibit the typical tripartite structure of lamins. This paper describes a bioinformatics analysis and classification of the NMCP family based on phylogenetic relationships, sequence similarity and the distribution of conserved regions in 76 homologues. In addition, NMCP1 in the monocot Allium cepa characterized by its sequence and structure, biochemical properties, and subnuclear distribution and alterations in its expression throughout the root were identified. The results demonstrate that these proteins exhibit many similarities to lamins (structural organization, conserved regions, subnuclear distribution, and solubility) and that they may fulfil the functions of lamins in plants. These findings significantly advance understanding of the structural proteins of the plant lamina and nucleoskeleton and provide a basis for further investigation of the protein networks forming these structures. PMID:23378381

Small Artery Elastin Distribution and Architecture-Focus on Three Dimensional Organization.

PubMed

Hill, Michael A; Nourian, Zahra; Ho, I-Lin; Clifford, Philip S; Martinez-Lemus, Luis; Meininger, Gerald A

2016-11-01

The distribution of ECM proteins within the walls of resistance vessels is complex both in variety of proteins and structural arrangement. In particular, elastin exists as discrete fibers varying in orientation across the adventitia and media as well as often resembling a sheet-like structure in the case of the IEL. Adding to the complexity is the tissue heterogeneity that exists in these structural arrangements. For example, small intracranial cerebral arteries lack adventitial elastin while similar sized arteries from skeletal muscle and intestinal mesentery exhibit a complex adventitial network of elastin fibers. With regard to the IEL, several vascular beds exhibit an elastin sheet with punctate holes/fenestrae while in others the IEL is discontinuous and fibrous in appearance. Importantly, these structural patterns likely sub-serve specific functional properties, including mechanosensing, control of external forces, mechanical properties of the vascular wall, cellular positioning, and communication between cells. Of further significance, these processes are altered in vascular disorders such as hypertension and diabetes mellitus where there is modification of ECM. This brief report focuses on the three-dimensional wall structure of small arteries and considers possible implications with regard to mechanosensing under physiological and pathophysiological conditions. © 2016 John Wiley & Sons Ltd.

Lamin-like analogues in plants: the characterization of NMCP1 in Allium cepa.

PubMed

Ciska, Malgorzata; Masuda, Kiyoshi; Moreno Díaz de la Espina, Susana

2013-04-01

The nucleoskeleton of plants contains a peripheral lamina (also called plamina) and, even though lamins are absent in plants, their roles are still fulfilled in plant nuclei. One of the most intriguing topics in plant biology concerns the identity of lamin protein analogues in plants. Good candidates to play lamin functions in plants are the members of the NMCP (nuclear matrix constituent protein) family, which exhibit the typical tripartite structure of lamins. This paper describes a bioinformatics analysis and classification of the NMCP family based on phylogenetic relationships, sequence similarity and the distribution of conserved regions in 76 homologues. In addition, NMCP1 in the monocot Allium cepa characterized by its sequence and structure, biochemical properties, and subnuclear distribution and alterations in its expression throughout the root were identified. The results demonstrate that these proteins exhibit many similarities to lamins (structural organization, conserved regions, subnuclear distribution, and solubility) and that they may fulfil the functions of lamins in plants. These findings significantly advance understanding of the structural proteins of the plant lamina and nucleoskeleton and provide a basis for further investigation of the protein networks forming these structures.

In Situ Laser Activation of Electrochemical Kinetics at Carbon Electrodes

DTIC Science & Technology

1994-05-31

surface reflects the bulk indicate that significant amounts of adsorption occurred f GC structure -o accurately than polished or otherwise these compounds ...value. obtained at the fractured surface for the three painie (6A) and ascorbic add (AA) on fractured GC-20. The compounds are approximately equal while...was significant, but all three compounds exhibited higher r. A not am apparet at the Toir-seal electrodes because the time[ specific mechanism of

The E2 glycoprotein of classical swine fever virus is a virulence determinant in swine.

PubMed

Risatti, G R; Borca, M V; Kutish, G F; Lu, Z; Holinka, L G; French, R A; Tulman, E R; Rock, D L

2005-03-01

To identify genetic determinants of classical swine fever virus (CSFV) virulence and host range, chimeras of the highly pathogenic Brescia strain and the attenuated vaccine strain CS were constructed and evaluated for viral virulence in swine. Upon initial screening, only chimeras 138.8v and 337.14v, the only chimeras containing the E2 glycoprotein of CS, were attenuated in swine despite exhibiting unaltered growth characteristics in primary porcine macrophage cell cultures. Additional viral chimeras were constructed to confirm the role of E2 in virulence. Chimeric virus 319.1v, which contained only the CS E2 glycoprotein in the Brescia background, was markedly attenuated in pigs, exhibiting significantly decreased virus replication in tonsils, a transient viremia, limited generalization of infection, and decreased virus shedding. Chimeras encoding all Brescia structural proteins in a CS genetic background remained attenuated, indicating that additional mutations outside the structural region are important for CS vaccine virus attenuation. These results demonstrate that CS E2 alone is sufficient for attenuating Brescia, indicating a significant role for the CSFV E2 glycoprotein in swine virulence.

Molecular structural differences between low methoxy pectins induced by pectin methyl esterase II: effects on texture, release and perception of aroma in gels of similar modulus of elasticity.

PubMed

Kim, Yang; Kim, Young-Suk; Yoo, Sang-Ho; Kim, Kwang-Ok

2014-02-15

Six low-methoxy pectins with different degrees of methylesterification and amidation, and molecular weights were used to prepare gels with similar moduli of elasticity by varying the concentrations of pectin and calcium phosphate. Five aroma compounds were added to the gels and their sensory textural properties, release and perception of aromas were investigated. Sensory firmness, springiness, adhesiveness, chewiness and cohesiveness differed according to the gel type, even though the moduli of elasticity were not significantly different (p<0.05). Release and perception of aromas also displayed significant difference according to the gel type (p<0.05). Low-methoxy amidated pectin exhibited the lowest release and perception for all the aroma compounds, while pectin-methylesterase-treated pectin gels exhibited relatively higher aroma release and perception. These results showed that the structural properties of pectins and gelling factors that increase the non-polar character of the gel matrices could decrease the release and perception of aromas in pectin gel systems. Copyright © 2013 Elsevier Ltd. All rights reserved.

The role of exhibits in teacher workshops at science museums

NASA Astrophysics Data System (ADS)

Stein, Fred D.

Between 1986 and 1998, the Exploratorium Institute for Inquiry offered multi-week science institutes for elementary educators involving museum exhibit use during a three-day independent investigation on light and color. Many museums tend to underutilize exhibit use in their teacher education programs. This study addresses the question, "What are the contributions of exhibit use to teachers' learning of science content during a workshop at a science museum?" Data from workshops over three successive years was collected in the form of 13 case studies of participants' investigations. Pre- and post-testing of six participants showed a large (ES = 3.0 SD) and significant gain in their understanding of light and color concepts. The case studies were analyzed by coding each incident of exhibit use according to how the exhibit interaction might have helped the participant in his or her learning. Clusters of recurring themes emerged inductively from the coding process suggesting that the exhibits conferred both logistical and conceptual benefits. Logistically, the exhibits acted as "labor-saving" devices, saving participants time because they were always set up and ready to use, and saving the workshop facilitators time because facilitators could recommend that a participant visit an exhibit rather than spend time giving them individual attention or helping them construct their own investigation apparatus. Conceptually, the exhibits supported each aspect of the Piagetian conceptual change process---accommodation, assimilation, and disequilibrium. They supported accommodation of idea structures and the development of new ones by encouraging participants to ask and answer "What would happen if...?" questions which often generated ideas to explain the new experiences. They supported assimilation of experiences into recently developed idea structures or schemes (supporting and consolidating them) by providing opportunities for participants to ask and answer "Will it happen if...?" questions that reinforced ideas by hypothesis testing through predicting. And they supported creating disequilibrium by presenting perplexing phenomena, provoking participants to ask and want to answer "Why did that happen?" questions. Exhibit qualities that make them particularly effective at supporting conceptual change are discussed and illustrated by examples from the cases. Recommendations for using science museum exhibits in teacher workshops are offered.

UGT74AN1, a Permissive Glycosyltransferase from Asclepias curassavica for the Regiospecific Steroid 3-O-Glycosylation.

PubMed

Wen, Chao; Huang, Wei; Zhu, Xue-Lin; Li, Xiao-San; Zhang, Fan; Jiang, Ren-Wang

2018-02-02

A permissive steroid glycosyltransferase (UGT74AN1) from Asclepias curassavica exhibited robust capabilities for the regiospecific C3 glycosylation of cardiotonic steroids and C 21 steroid precursors, and unprecedented promiscuity toward 53 structurally diverse natural and unnatural compounds to form O-, N-, and S-glycosides, along with the catalytic reversibility for a one-pot transglycosylation reaction. These findings highlight UGT74AN1 as the first regiospecific catalyst for cardiotonic steroid C3 glycosylation and exhibit significant potential for glycosylation of diverse bioactive molecules in drug discovery.

Longitudinal changes in quantitative and qualitative indicators of word and story recall in young-old and old-old adults.

PubMed

Small, B J; Dixon, R A; Hultsch, D F; Hertzog, C

1999-03-01

The present study examined longitudinal changes in quantitative and qualitative measures of episodic memory. The sample, taken from the Victoria Longitudinal Study, consisted of 158 young-old adults (initially 55 to 70 years old) and 84 old-old adults (initially 71 to 86 years old) who were tested three times over six years. Average word and text recall, as well as five indicators of qualitative aspects of word recall (e.g., number of categories recalled) and one indicator of structure of text recall (i.e., levels of information) were used. For word recall, although both age groups exhibited negative longitudinal changes in quantitative performance, overall qualitative performance was generally stable. Two qualitative indicators (number of categories and intrusions) showed modest decline and one (organization at recall) showed improvement. Results for overall text recall showed significant performance increments for the young-old group, whereas the old-old group exhibited slight declines in overall performance. Analyses of qualitative measures showed stable structure of hierarchical recall, with the old-old being impaired at all levels of detail in the stories. Overall results suggest that some underlying structural characteristics of word and text recall may be maintained into late life even when significant overall decline is observed.

FT-Raman spectroscopic characterization of enamel surfaces irradiated with Nd:YAG and Er:YAG lasers

PubMed Central

Shahabi, Sima; Fekrazad, Reza; Johari, Maryam; Chiniforoush, Nasim; Rezaei, Yashar

2016-01-01

Background. Despite recent advances in dental caries prevention, caries is common and remains a serious health problem. Laser irradiation is one of the most common methods in preventive measures in recent years. Raman spectroscopy technique is utilized to study the microcrystalline structure of dental enamel. In this study, FT-Raman spectroscopy was used to evaluate chemical changes in enamel structure irradiated with Nd:YAG and Er:YAG lasers. Methods. We used 15 freshly-extracted, non-carious, human molars that were treated as follows: No treatment was carried out in group A (control group); Group B was irradiated with Er:YAG laser for 10 seconds under air and water spray; and Group C was irradiated with Nd:YAG laser for 10 seconds under air and water spray. After treatment, the samples were analyzed by FT-Raman spectroscopy. Results. The carbonate content evaluation with regard to the integrated area under the curve (1065/960 cm–1) exhibited a significant reduction in its ratio in groups B and C. The organic content (2935/960 cm-1) area exhibited a significant decrease after laser irradiation in group B and C. Conclusion. The results showed that the mineral and organic matrices of enamel structure were affected by laser irradiation; therefore, it might be a suitable method for caries prevention. PMID:28096945

Biochemical Regulatory Features of Activation-Induced Cytidine Deaminase Remain Conserved from Lampreys to Humans

PubMed Central

King, Justin J.; Amemiya, Chris T.; Hsu, Ellen

2017-01-01

ABSTRACT Activation-induced cytidine deaminase (AID) is a genome-mutating enzyme that initiates class switch recombination and somatic hypermutation of antibodies in jawed vertebrates. We previously described the biochemical properties of human AID and found that it is an unusual enzyme in that it exhibits binding affinities for its substrate DNA and catalytic rates several orders of magnitude higher and lower, respectively, than a typical enzyme. Recently, we solved the functional structure of AID and demonstrated that these properties are due to nonspecific DNA binding on its surface, along with a catalytic pocket that predominantly assumes a closed conformation. Here we investigated the biochemical properties of AID from a sea lamprey, nurse shark, tetraodon, and coelacanth: representative species chosen because their lineages diverged at the earliest critical junctures in evolution of adaptive immunity. We found that these earliest-diverged AID orthologs are active cytidine deaminases that exhibit unique substrate specificities and thermosensitivities. Significant amino acid sequence divergence among these AID orthologs is predicted to manifest as notable structural differences. However, despite major differences in sequence specificities, thermosensitivities, and structural features, all orthologs share the unusually high DNA binding affinities and low catalytic rates. This absolute conservation is evidence for biological significance of these unique biochemical properties. PMID:28716949

Biomimetic photonic materials with tunable structural colors.

PubMed

Xu, Jun; Guo, Zhiguang

2013-09-15

Nature is a huge gallery of art involving nearly perfect structures and forms over the millions of years developing. Inspiration from natural structures exhibiting structural colors is first discussed. We give some examples of natural one-, two-, and three-dimensional photonic structures. This review article presents a brief summary of recent progress on bio-inspired photonic materials with variable structural colors, including the different facile and efficient routes to construct the nano-architectures, and the development of the artificial variable structural color photonic materials. Besides the superior optical properties, the excellent functions such as robust mechanical strength, good wettability are also mentioned, as well as the technical importance in various applications. This review will provide significant insight into the fabrication, design and application of the structural color materials. Copyright © 2013 Elsevier Inc. All rights reserved.

EGCG assisted green synthesis of ZnO nanopowders: Photodegradative, antimicrobial and antioxidant activities

NASA Astrophysics Data System (ADS)

Suresh, D.; Udayabhanu; Nethravathi, P. C.; Lingaraju, K.; Rajanaika, H.; Sharma, S. C.; Nagabhushana, H.

2015-02-01

Zinc oxide nanopowders were synthesized by solution combustion method using Epigallocatechin gallate (EGCG) a tea catechin as fuel. The structure and morphology of the product was characterized by Powder X-ray Diffraction, Scanning Electron Microscopy, photoluminescence and UV-Visible spectroscopy. The nanopowders (Nps) were subjected to photocatalytic and biological activities such as antimicrobial and antioxidant studies. PXRD patterns demonstrate that the formed product belongs to hexagonal wurtzite system. SEM images show that the particles are agglomerated to form sponge like structure and the average crystallite sizes were found to be ∼10-20 nm. PL spectra exhibit broad and strong peak at 590 nm due to the Zn-vacancies, and O-vacancies. The prepared ZnO Nps exhibit excellent photocatalytic activity for the photodegradation of malachite green (MG) and methylene blue (MB) indicating that the ZnO NPs are potential photocatalytic semiconductor materials. ZnO NPs exhibit significant bactericidal activity against Klebsiella aerogenes, Pseudomonas aeruginosa, Escherichia coli and Staphylococcus aureus using the agar well diffusion method. Furthermore, the ZnO nano powders show good antioxidant activity by potentially scavenging DPPH radicals. The study successfully demonstrates synthesis of ZnO NPs by simple ecofriendly route employing EGCG as fuel that exhibit superior photodegradative, antibacterial and antioxidant activities.

In-situ and real-time growth observation of high-quality protein crystals under quasi-microgravity on earth.

PubMed

Nakamura, Akira; Ohtsuka, Jun; Kashiwagi, Tatsuki; Numoto, Nobutaka; Hirota, Noriyuki; Ode, Takahiro; Okada, Hidehiko; Nagata, Koji; Kiyohara, Motosuke; Suzuki, Ei-Ichiro; Kita, Akiko; Wada, Hitoshi; Tanokura, Masaru

2016-02-26

Precise protein structure determination provides significant information on life science research, although high-quality crystals are not easily obtained. We developed a system for producing high-quality protein crystals with high throughput. Using this system, gravity-controlled crystallization are made possible by a magnetic microgravity environment. In addition, in-situ and real-time observation and time-lapse imaging of crystal growth are feasible for over 200 solution samples independently. In this paper, we also report results of crystallization experiments for two protein samples. Crystals grown in the system exhibited magnetic orientation and showed higher and more homogeneous quality compared with the control crystals. The structural analysis reveals that making use of the magnetic microgravity during the crystallization process helps us to build a well-refined protein structure model, which has no significant structural differences with a control structure. Therefore, the system contributes to improvement in efficiency of structural analysis for "difficult" proteins, such as membrane proteins and supermolecular complexes.

Auxetic hexachiral structures with wavy ligaments for large elasto-plastic deformation

NASA Astrophysics Data System (ADS)

Zhu, Yilin; Wang, Zhen-Pei; Hien Poh, Leong

2018-05-01

The hexachiral structure is in-plane isotropic in small deformation. When subjected to large elasto-plastic deformation, however, the hexachiral structure tends to lose its auxeticity and/or isotropy—properties which are desirable in many potential applications. The objective of this study is to improve these two mechanical properties, without significantly compromising the effective yield stress, in the regime with significant material and geometrical nonlinearity effects. It is found that the deformation mechanisms underlying the auxeticity and isotropy properties of a hexachiral structure are largely influenced by the extent of rotation of the central ring in a unit cell. To facilitate the development of this deformation mechanism, an improved design with wavy ligaments is proposed. The improved performance of the proposed hexachiral structure is demonstrated. An initial study on possible applications as a protective material is next carried out, where the improved hexachiral design is shown to exhibit higher specific energy absorption capacity compared to the original design, as well as standard honeycomb structures.

Cladielloides A and B: New Eunicellin-Type Diterpenoids from an Indonesian Octocoral Cladiella sp

PubMed Central

Chen, Yung-Husan; Tai, Chia-Ying; Hwang, Tsong-Long; Weng, Ching-Feng; Li, Jan-Jung; Fang, Lee-Shing; Wang, Wei-Hsien; Wu, Yang-Chang; Sung, Ping-Jyun

2010-01-01

Two new eunicellin-type diterpenoids, cladielloides A (1) and B (2), which were found to possess a 2-hydroxybutyroxy group in their structures, were isolated from an Indonesian octocoral identified as Cladiella sp. The structures of eunicellins 1 and 2 were elucidated by spectroscopic methods. Cladielloide B (2) exhibited moderate cytotoxicity toward CCRF-CEM tumor cells and this compound displayed significant inhibitory effects on superoxide anion generation and elastase release by human neutrophils. PMID:21339957

Ditch network sustains functional connectivity and influences patterns of gene flow in an intensive agricultural landscape

PubMed Central

Favre-Bac, L; Mony, C; Ernoult, A; Burel, F; Arnaud, J-F

2016-01-01

In intensive agricultural landscapes, plant species previously relying on semi-natural habitats may persist as metapopulations within landscape linear elements. Maintenance of populations' connectivity through pollen and seed dispersal is a key factor in species persistence in the face of substantial habitat loss. The goals of this study were to investigate the potential corridor role of ditches and to identify the landscape components that significantly impact patterns of gene flow among remnant populations. Using microsatellite loci, we explored the spatial genetic structure of two hydrochorous wetland plants exhibiting contrasting local abundance and different habitat requirements: the rare and regionally protected Oenanthe aquatica and the more commonly distributed Lycopus europaeus, in an 83 km2 agricultural lowland located in northern France. Both species exhibited a significant spatial genetic structure, along with substantial levels of genetic differentiation, especially for L. europaeus, which also expressed high levels of inbreeding. Isolation-by-distance analysis revealed enhanced gene flow along ditches, indicating their key role in effective seed and pollen dispersal. Our data also suggested that the configuration of the ditch network and the landscape elements significantly affected population genetic structure, with (i) species-specific scale effects on the genetic neighborhood and (ii) detrimental impact of human ditch management on genetic diversity, especially for O. aquatica. Altogether, these findings highlighted the key role of ditches in the maintenance of plant biodiversity in intensive agricultural landscapes with few remnant wetland habitats. PMID:26486611

Suicide Communication on Social Media and Its Psychological Mechanisms: An Examination of Chinese Microblog Users

PubMed Central

Cheng, Qijin; Kwok, Chi Leung; Zhu, Tingshao; Guan, Li; Yip, Paul S. F.

2015-01-01

Background: This study aims to examine the characteristics of people who talk about suicide on Chinese microblogs (referred to as Weibo suicide communication (WSC)), and the psychological antecedents of such behaviors. Methods: An online survey was conducted on Weibo users. Differences in psychological and social demographic characteristics between those who exhibited WSC and those who did not were examined. Three theoretical models were proposed to explain the psychological mechanisms of WSC and their fitness was examined by Structural Equation Modeling (SEM). Results: 12.03% of our respondents exhibited WSC in the past 12 months. The WSC group was significantly younger and less educated, preferred using blogs and online forums for expressing themselves, and reported significantly greater suicide ideation, negative affectivity, and vulnerable personality compared to non-WSC users. SEM examinations found that Weibo users with higher negative affectivity or/and suicidal ideation, who were also using blogs and forums more, exhibited a significantly higher possibility of WSC. Conclusion: Weibo users who are at greater suicide risk are more likely to talk about suicide on Weibo. WSC is a sign of negative affectivity or suicide ideation, and should be responded to with emotional support and suicide prevention services. PMID:26378566

Suicide Communication on Social Media and Its Psychological Mechanisms: An Examination of Chinese Microblog Users.

PubMed

Cheng, Qijin; Kwok, Chi Leung; Zhu, Tingshao; Guan, Li; Yip, Paul S F

2015-09-11

This study aims to examine the characteristics of people who talk about suicide on Chinese microblogs (referred to as Weibo suicide communication (WSC)), and the psychological antecedents of such behaviors. An online survey was conducted on Weibo users. Differences in psychological and social demographic characteristics between those who exhibited WSC and those who did not were examined. Three theoretical models were proposed to explain the psychological mechanisms of WSC and their fitness was examined by Structural Equation Modeling (SEM). 12.03% of our respondents exhibited WSC in the past 12 months. The WSC group was significantly younger and less educated, preferred using blogs and online forums for expressing themselves, and reported significantly greater suicide ideation, negative affectivity, and vulnerable personality compared to non-WSC users. SEM examinations found that Weibo users with higher negative affectivity or/and suicidal ideation, who were also using blogs and forums more, exhibited a significantly higher possibility of WSC. Weibo users who are at greater suicide risk are more likely to talk about suicide on Weibo. WSC is a sign of negative affectivity or suicide ideation, and should be responded to with emotional support and suicide prevention services.

Density Effects on Post-shock Turbulence Structure

NASA Astrophysics Data System (ADS)

Tian, Yifeng; Jaberi, Farhad; Livescu, Daniel; Li, Zhaorui; Michigan State University Collaboration; Los Alamos National Laboratory Collaboration; Texas A&M University-Corpus Christi Collaboration

2017-11-01

The effects of density variations due to mixture composition on post-shock turbulence structure are studied using turbulence-resolving shock-capturing simulations. This work extends the canonical Shock-Turbulence Interaction (STI) problem to involve significant variable density effects. The numerical method has been verified using a series of grid and LIA convergence tests, and is used to generate accurate post-shock turbulence data for a detailed flow study. Density effects on post-shock turbulent statistics are shown to be significant, leading to an increased amplification of turbulent kinetic energy (TKE). Eulerian and Lagrangian analyses show that the increase in the post-shock correlation between rotation and strain is weakened in the case with significant density variations (referred to as the ``multi-fluid'' case). Similar to previous single-fluid results and LIA predictions, the shock wave significantly changes the topology of the turbulent structures, exhibiting a symmetrization of the joint PDF of second and third invariant of the deviatoric part of velocity gradient tensor. In the multi-fluid case, this trend is more significant and mainly manifested in the heavy fluid regions. Lagrangian data are also used to study the evolution of turbulence structure away from the shock wave and assess the accuracy of Lagrangian dynamical models.

Sound transmission through triple-panel structures lined with poroelastic materials

NASA Astrophysics Data System (ADS)

Liu, Yu

2015-03-01

In this paper, previous theories on the prediction of sound transmission loss for a double-panel structure lined with poroelastic materials are extended to address the problem of a triple-panel structure. Six typical configurations are considered for a triple-panel structure based on the method of coupling the porous layers to the facing panels which determines critically the sound insulation performance of the system. The transfer matrix method is employed to solve the system by applying appropriate types of boundary conditions for these configurations. The transmission loss of the triple-panel structures in a diffuse sound field is calculated as a function of frequency and compared with that of corresponding double-panel structures. Generally, the triple-panel structure with poroelastic linings has superior acoustic performance to the double-panel counterpart, remarkably in the mid-high frequency range and possibly at low frequencies, by selecting appropriate configurations in which those with two air gaps in the structure exhibit the best overall performance over the entire frequency range. The poroelastic lining significantly lowers the cut-on frequency above which the triple-panel structure exhibits noticeably higher transmission loss. Compared with a double-panel structure, the wider range of system parameters for a triple-panel structure due to the additional partition provides more design space for tuning the sound insulation performance. Despite the increased structural complexity, the triple-panel structure lined with poroelastic materials has the obvious advantages in sound transmission loss while without the penalties in weight and volume, and is hence a promising replacement for the widely used double-panel sandwich structure.

Comprehensive analyses of how tubule occlusion and advanced glycation end-products diminish strength of aged dentin

NASA Astrophysics Data System (ADS)

Shinno, Yuko; Ishimoto, Takuya; Saito, Mitsuru; Uemura, Reo; Arino, Masumi; Marumo, Keishi; Nakano, Takayoshi; Hayashi, Mikako

2016-01-01

In clinical dentistry, since fracture is a major cause of tooth loss, better understanding of mechanical properties of teeth structures is important. Dentin, the major hard tissue of teeth, has similar composition to bone. In this study, we investigated the mechanical properties of human dentin not only in terms of mineral density but also using structural and quality parameters as recently accepted in evaluating bone strength. Aged crown and root dentin (age ≥ 40) exhibited significantly lower flexural strength and toughness than young dentin (age < 40). Aged dentin, in which the dentinal tubules were occluded with calcified material, recorded the highest mineral density; but showed significantly lower flexural strength than young dentin. Dentin with strong alignment of the c-axis in hydroxyapatite exhibited high fracture strength, possibly because the aligned apatite along the collagen fibrils may reinforce the intertubular dentin. Aged dentin, showing a high advanced glycation end-products (AGEs) level in its collagen, recorded low flexural strength. We first comprehensively identified significant factors, which affected the inferior mechanical properties of aged dentin. The low mechanical strength of aged dentin is caused by the high mineral density resulting from occlusion of dentinal tubules and accumulation of AGEs in dentin collagen.

Dramatic Increases of Soil Microbial Functional Gene Diversity at the Treeline Ecotone of Changbai Mountain

PubMed Central

Shen, Congcong; Shi, Yu; Ni, Yingying; Deng, Ye; Van Nostrand, Joy D.; He, Zhili; Zhou, Jizhong; Chu, Haiyan

2016-01-01

The elevational and latitudinal diversity patterns of microbial taxa have attracted great attention in the past decade. Recently, the distribution of functional attributes has been in the spotlight. Here, we report a study profiling soil microbial communities along an elevation gradient (500–2200 m) on Changbai Mountain. Using a comprehensive functional gene microarray (GeoChip 5.0), we found that microbial functional gene richness exhibited a dramatic increase at the treeline ecotone, but the bacterial taxonomic and phylogenetic diversity based on 16S rRNA gene sequencing did not exhibit such a similar trend. However, the β-diversity (compositional dissimilarity among sites) pattern for both bacterial taxa and functional genes was similar, showing significant elevational distance-decay patterns which presented increased dissimilarity with elevation. The bacterial taxonomic diversity/structure was strongly influenced by soil pH, while the functional gene diversity/structure was significantly correlated with soil dissolved organic carbon (DOC). This finding highlights that soil DOC may be a good predictor in determining the elevational distribution of microbial functional genes. The finding of significant shifts in functional gene diversity at the treeline ecotone could also provide valuable information for predicting the responses of microbial functions to climate change. PMID:27524983

Ophirapstanol trisulfate, a new biologically active steroid sulfate from the deep water marine sponge Topsentia ophiraphidites.

PubMed

Gunasekera, S P; Sennett, S H; Kelly-Borges, M; Bryant, R W

1994-12-01

Ophirapstanol trisulfate [1], a new steroid trisulfate related to sokotrasterol trisulfate was isolated from a deep water marine sponge Topsentia ophiraphidites. Compound 1 exhibited significant inhibition in the guanosine diphosphate/G-protein RAS exchange assay. The structure elucidation of 1 and ophirapstanol [2] by nmr spectroscopy is described.

Extracting Intrinsic Functional Networks with Feature-Based Group Independent Component Analysis

ERIC Educational Resources Information Center

Calhoun, Vince D.; Allen, Elena

2013-01-01

There is increasing use of functional imaging data to understand the macro-connectome of the human brain. Of particular interest is the structure and function of intrinsic networks (regions exhibiting temporally coherent activity both at rest and while a task is being performed), which account for a significant portion of the variance in…

Edge effects and the effective size of old-growth coast redwood preserves

Treesearch

William H. Russell; Joe R. McBride; Ky Carnell

2000-01-01

Data were collected to determine the depth of influence of conditions created by clear-cut timber harvest on adjacent old-growth stands of coast redwood. Fourteen variables related to stand structure and composition, wildlife habitat, and physical environment exhibited significant correlation to distance from the timber harvest boundary. Results were applied to the...

Alterations of white matter structural networks in patients with non-neuropsychiatric systemic lupus erythematosus identified by probabilistic tractography and connectivity-based analyses.

PubMed

Xu, Man; Tan, Xiangliang; Zhang, Xinyuan; Guo, Yihao; Mei, Yingjie; Feng, Qianjin; Xu, Yikai; Feng, Yanqiu

2017-01-01

Systemic lupus erythematosus (SLE) is a chronic inflammatory female-predominant autoimmune disease that can affect the central nervous system and exhibit neuropsychiatric symptoms. In SLE patients without neuropsychiatric symptoms (non-NPSLE), recent diffusion tensor imaging studies showed white matter abnormalities in their brains. The present study investigated the entire brain white matter structural connectivity in non-NPSLE patients by using probabilistic tractography and connectivity-based analyses. Whole-brain structural networks of 29 non-NPSLE patients and 29 healthy controls (HCs) were examined. The structural networks were constructed with interregional probabilistic connectivity. Graph theory analysis was performed to investigate the topological properties, and network-based statistic was employed to assess the alterations of the interregional connections among non-NPSLE patients and controls. Compared with HCs, non-NPSLE patients demonstrated significantly decreased global and local network efficiencies and showed increased characteristic path length. This finding suggests that the global integration and local specialization were impaired. Moreover, the regional properties (nodal efficiency and degree) in the frontal, occipital, and cingulum regions of the non-NPSLE patients were significantly changed and negatively correlated with the disease activity index. The distribution pattern of the hubs measured by nodal degree was altered in the patient group. Finally, the non-NPSLE group exhibited decreased structural connectivity in the left median cingulate-centered component and increased connectivity in the left precuneus-centered component and right middle temporal lobe-centered component. This study reveals an altered topological organization of white matter networks in non-NPSLE patients. Furthermore, this research provides new insights into the structural disruptions underlying the functional and neurocognitive deficits in non-NPSLE patients.

Mo-doped SnO2 mesoporous hollow structured spheres as anode materials for high-performance lithium ion batteries

NASA Astrophysics Data System (ADS)

Wang, Xuekun; Li, Zhaoqiang; Zhang, Zhiwei; Li, Qun; Guo, Enyan; Wang, Chengxiang; Yin, Longwei

2015-02-01

We designed a facile infiltration route to synthesize mesoporous hollow structured Mo doped SnO2 using silica spheres as templates. It is observed that Mo is uniformly incorporated into SnO2 lattice in the form of Mo6+. The as-prepared mesoporous Mo-doped SnO2 LIBs anodes exhibit a significantly improved electrochemical performance with good cycling stability, high specific capacity and high rate capability. The mesoporous hollow Mo-doped SnO2 sample with 14 at% Mo doping content displays a specific capacity of 801 mA h g-1 after 60 cycles at a current density of 100 mA g-1, about 1.66 times higher than that of the pure SnO2 hollow sample. In addition, even if the current density is as high as 1600 mA g-1 after 60 cycles, it could still retain a stable specific capacity of 530 mA h g-1, exhibiting an extraordinary rate capability. The greatly improved electrochemical performance of the Mo-doped mesoporous hollow SnO2 sample could be attributed to the following factors. The large surface area and hollow structure can significantly enhance structural integrity by acting as mechanical buffer, effectively alleviating the volume changes generated during the lithiation/delithiation process. The incorporation of Mo into the lattice of SnO2 improves charge transfer kinetics and results in a faster Li+ diffusion rate during the charge-discharge process.

Controllable Switching Filaments Prepared via Tunable and Well-Defined Single Truncated Conical Nanopore Structures for Fast and Scalable SiOx Memory.

PubMed

Kwon, Soonbang; Jang, Seonghoon; Choi, Jae-Wan; Choi, Sanghyeon; Jang, Sukjae; Kim, Tae-Wook; Wang, Gunuk

2017-12-13

The controllability of switching conductive filaments is one of the central issues in the development of reliable metal-oxide resistive memory because the random dynamic nature and formation of the filaments pose an obstacle to desirable switching performance. Here, we introduce a simple and novel approach to control and form a single silicon nanocrystal (Si-NC) filament for use in SiO x memory devices. The filament is formed with a confined vertical nanoscale gap by using a well-defined single vertical truncated conical nanopore (StcNP) structure. The physical dimensions of the Si-NC filaments such as number, size, and length, which have a significant influence on the switching properties, can be simply engineered by the breakdown of an Au wire through different StcNP structures. In particular, we demonstrate that the designed SiO x memory junction with a StcNP of pore depth of ∼75 nm and a bottom diameter of ∼10 nm exhibited a switching speed of up to 6 ns for both set and reset process, significantly faster than reported SiO x memory devices. The device also exhibited a high ON-OFF ratio, multistate storage ability, acceptable endurance, and retention stability. The influence of the physical dimensions of the StcNP on the switching features is discussed based on the simulated temperature profiles of the Au wire and the nanogap size generated inside the StcNP structure during electromigration.

Molecular dynamics studies of interfacial water at the alumina surface.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Argyris, Dr. Dimitrios; Ho, Thomas; Cole, David

2011-01-01

Interfacial water properties at the alumina surface were investigated via all-atom equilibrium molecular dynamics simulations at ambient temperature. Al-terminated and OH-terminated alumina surfaces were considered to assess the structural and dynamic behavior of the first few hydration layers in contact with the substrates. Density profiles suggest water layering up to {approx}10 {angstrom} from the solid substrate. Planar density distribution data indicate that water molecules in the first interfacial layer are organized in well-defined patterns dictated by the atomic terminations of the alumina surface. Interfacial water exhibits preferential orientation and delayed dynamics compared to bulk water. Water exhibits bulk-like behavior atmore » distances greater than {approx}10 {angstrom} from the substrate. The formation of an extended hydrogen bond network within the first few hydration layers illustrates the significance of water?water interactions on the structural properties at the interface.« less

Tunable plasmon lensing in graphene-based structure exhibiting negative refraction.

PubMed

Zhong, Shifeng; Lu, Yanxin; Li, Chao; Xu, Haixia; Shi, Fenghua; Chen, Yihang

2017-02-02

We propose a novel method to achieve tunable plasmon focusing in graphene/photonic-crystal hybrid structure exhibiting all-angle negative refraction at terahertz frequencies. A two-dimensional photonic crystal composed of a square lattice of dielectric rods is constructed on the substrate of a graphene sheet to provide the hyperbolic dispersion relations of the graphene plasmon, giving rise to the all-angle plasmonic negative refraction. Plasmon lensing induced from the negative refraction is observed. We show that the ultracompact graphene-based system can produce sub-diffraction-limited images with the resolution significant smaller than the wavelength of the incident terahertz wave. Moreover, by adjusting the Fermi energy of the graphene, the imaging performance of the proposed system can remain almost invariant for different frequencies. Our results may find applications in diverse fields such as subwavelength spatial light manipulation, biological imaging, and so forth.

Tunable plasmon lensing in graphene-based structure exhibiting negative refraction

PubMed Central

Zhong, Shifeng; Lu, Yanxin; Li, Chao; Xu, Haixia; Shi, Fenghua; Chen, Yihang

2017-01-01

We propose a novel method to achieve tunable plasmon focusing in graphene/photonic-crystal hybrid structure exhibiting all-angle negative refraction at terahertz frequencies. A two-dimensional photonic crystal composed of a square lattice of dielectric rods is constructed on the substrate of a graphene sheet to provide the hyperbolic dispersion relations of the graphene plasmon, giving rise to the all-angle plasmonic negative refraction. Plasmon lensing induced from the negative refraction is observed. We show that the ultracompact graphene-based system can produce sub-diffraction-limited images with the resolution significant smaller than the wavelength of the incident terahertz wave. Moreover, by adjusting the Fermi energy of the graphene, the imaging performance of the proposed system can remain almost invariant for different frequencies. Our results may find applications in diverse fields such as subwavelength spatial light manipulation, biological imaging, and so forth. PMID:28150750

Scale Dependence of the Mechanical Properties and Microstructure of Crustaceans Thin Films as Biomimetic Materials

NASA Astrophysics Data System (ADS)

Verma, Devendra; Qu, Tao; Tomar, Vikas

2015-04-01

The exoskeletons of crustacean species in the form of thin films have been investigated by several researchers to better understand the role played by the exoskeletal structure in affecting the functioning of species such as shrimps, crabs, and lobsters. These species exhibit similar designs in their exoskeleton microstructure, such as a Bouligand pattern (twisted plywood structure), layers of different thickness across cross section, change in mineral content through the layers, etc. Different parts of crustaceans exhibit a significant variation in mechanical properties based on the variation in the above-mentioned parameters. This change in mechanical properties has been analyzed by using imaging techniques such as scanning electron microscopy and energy-dispersive x-ray spectroscopy, and by using mechanical characterization techniques such as nanoindentation and atomic force microscopy. In this article, the design principles of these biological composites are discussed based on two shrimp species: Rimicaris exoculata and Pandalus platyceros.

Astragalar Morphology of Selected Giraffidae.

PubMed

Solounias, Nikos; Danowitz, Melinda

2016-01-01

The artiodactyl astragalus has been modified to exhibit two trochleae, creating a double pullied structure allowing for significant dorso-plantar motion, and limited mediolateral motion. The astragalus structure is partly influenced by environmental substrates, and correspondingly, morphometric studies can yield paleohabitat information. The present study establishes terminology and describes detailed morphological features on giraffid astragali. Each giraffid astragalus exhibits a unique combination of anatomical characteristics. The giraffid astragalar morphologies reinforce previously established phylogenetic relationships. We find that the enlargement of the navicular head is a feature shared by all giraffids, and that the primitive giraffids possess exceptionally tall astragalar heads in relation to the total astragalar height. The sivatheres and the okapi share a reduced notch on the lateral edge of the astragalus. We find that Samotherium is more primitive in astragalar morphologies than Palaeotragus, which is reinforced by tooth characteristics and ossicone position. Diagnostic anatomical characters on the astragalus allow for giraffid species identifications and a better understanding of Giraffidae.

Photocatalytic activity of Ag3PO4 nanoparticle/TiO2 nanobelt heterostructures

NASA Astrophysics Data System (ADS)

Liu, Ruoyu; Hu, Peiguang; Chen, Shaowei

2012-10-01

Heterostructures based on Ag3PO4 nanoparticles and TiO2 nanobelts were prepared by a coprecipitation method. The crystalline structures were characterized by X-ray diffraction measurements. Electron microscopic studies showed that the Ag3PO4 nanoparticles and TiO2 nanobelts were in intimate contact which might be exploited to facilitate charge transfer between the two semiconductor materials. In fact, the heterostructures exhibited markedly enhanced photocatalytic activity as compared with unmodified TiO2 nanobelts or commercial TiO2 colloids in the photodegradation of methyl orange under UV irradiation. This was accounted for by the improved efficiency of interfacial charge separation thanks to the unique alignments of their band structures. Remarkably, whereas the photocatalytic activity of the heterostructure was comparable to that of Ag3PO4 nanoparticles alone, the heterostructures exhibited significantly better stability and reusability in repeated tests than the Ag3PO4 nanoparticles.

Excellent selector performance in engineered Ag/ZrO2:Ag/Pt structure for high-density bipolar RRAM applications

NASA Astrophysics Data System (ADS)

Wang, Chao; Song, Bing; Zeng, Zhongming

2017-12-01

A high-performance selector with bidirectional threshold switching (TS) characteristics of Ag/ZrO2/Pt structure was prepared by incorporating metallic Ag into the ZrO2 matrix. The bidirectional TS device exhibited excellent switching uniformity, forming-free behavior, ultra-low off current of <1 nA and adjustable selectivity (from 102 to 107). The experiment results confirmed that metallic Ag clusters were penetrated into the ZrO2 matrix during the annealing process, which would function as an effective active source responsible for the bidirectional TS. The volatile behavior could be explained by the self-dissolution of unstable filaments caused by minimization of the interfacial energy and thermal effect. Furthermore, a bipolar-type one selector-one resistor (1S-1R) memory device was successfully fabricated and exhibited significant suppression of the undesired sneak current, indicating the great potential as selector in a cross-point array.

Comparison of the morphology, chemical composition and microstructure of cryptocrystalline graphite and carbon black

NASA Astrophysics Data System (ADS)

Quan, Ying; Liu, Qinfu; Zhang, Shilong; Zhang, Shuai

2018-07-01

The structures of cryptocrystalline graphite (CG) and carbon black (CB) have been analyzed using scanning electron microscopy (SEM), transmission electron microscopy (TEM), organic elemental analysis (OEA), X-ray diffraction (XRD), RAMAN and high-resolution transmission electron microscopy (HRTEM). These results indicate that CG has the same elemental composition as CB, with carbon being the major element present. SL sample (CG with low graphitization degree) and CB exhibit similar microcrystalline structures. CG was shown to contain a layered graphitic structure that was significantly different to the primary spherical particles present in CB. It is proposed that these CG sheets may potentially be reduced and delaminated to afford multilayer graphene structures with improved material properties.

On hydrophilicity improvement of the porous anodic alumina film by hybrid nano/micro structuring

NASA Astrophysics Data System (ADS)

Wang, Weichao; Zhao, Wei; Wang, Kaige; Wang, Lei; Wang, Xuewen; Wang, Shuang; Zhang, Chen; Bai, Jintao

2017-09-01

In both, laboratory and industry, tremendous attention is paid to discover an effective technique to produce uniform, controllable and (super) hydrophilic surfaces over large areas that are useful in a wide range of applications. In this investigation, by combing porous anodic alumina (PAA) film with nano-structures and microarray of aluminum, the hydrophilicity of hybrid nano-micro structure has been significantly improved. It is found some factors can affect the hydrophilicity of film, such as the size and aspect ratio of microarray, the thickness of nano-PAA film etc. Comparing with pure nano-PAA films and microarray, the hybrid nano-micro structure can provide uniform surface with significantly better hydrophilicity. The improvement can be up to 84%. Also, this technique exhibits good stability and repeatability for industrial production. By optimizing the thickness of nano-PAA film and aspect ratio of micro-structures, super-hydrophilicity can be reached. This study has obvious prospect in the fields of chemical industry, biomedical engineering and lab-on-a-chip applications.

Influence of airway wall compliance on epithelial cell injury and adhesion during interfacial flows

PubMed Central

Higuita-Castro, Natalia; Mihai, Cosmin; Hansford, Derek J.

2014-01-01

Interfacial flows during cyclic airway reopening are an important source of ventilator-induced lung injury. However, it is not known how changes in airway wall compliance influence cell injury during airway reopening. We used an in vitro model of airway reopening in a compliant microchannel to investigate how airway wall stiffness influences epithelial cell injury. Epithelial cells were grown on gel substrates with different rigidities, and cellular responses to substrate stiffness were evaluated in terms of metabolic activity, mechanics, morphology, and adhesion. Repeated microbubble propagations were used to simulate cyclic airway reopening, and cell injury and detachment were quantified via live/dead staining. Although cells cultured on softer gels exhibited a reduced elastic modulus, these cells experienced less plasma membrane rupture/necrosis. Cells on rigid gels exhibited a minor, but statistically significant, increase in the power law exponent and also exhibited a significantly larger height-to-length aspect ratio. Previous studies indicate that this change in morphology amplifies interfacial stresses and, therefore, correlates with the increased necrosis observed during airway reopening. Although cells cultured on stiff substrates exhibited more plasma membrane rupture, these cells experienced significantly less detachment and monolayer disruption during airway reopening. Western blotting and immunofluorescence indicate that this protection from detachment and monolayer disruption correlates with increased focal adhesion kinase and phosphorylated paxillin expression. Therefore, changes in cell morphology and focal adhesion structure may govern injury responses during compliant airway reopening. In addition, these results indicate that changes in airway compliance, as occurs during fibrosis or emphysema, may significantly influence cell injury during mechanical ventilation. PMID:25213636

Coupling detrended fluctuation analysis for multiple warehouse-out behavioral sequences

NASA Astrophysics Data System (ADS)

Yao, Can-Zhong; Lin, Ji-Nan; Zheng, Xu-Zhou

2017-01-01

Interaction patterns among different warehouses could make the warehouse-out behavioral sequences less predictable. We firstly take a coupling detrended fluctuation analysis on the warehouse-out quantity, and find that the multivariate sequences exhibit significant coupling multifractal characteristics regardless of the types of steel products. Secondly, we track the sources of multifractal warehouse-out sequences by shuffling and surrogating original ones, and we find that fat-tail distribution contributes more to multifractal features than the long-term memory, regardless of types of steel products. From perspective of warehouse contribution, some warehouses steadily contribute more to multifractal than other warehouses. Finally, based on multiscale multifractal analysis, we propose Hurst surface structure to investigate coupling multifractal, and show that multiple behavioral sequences exhibit significant coupling multifractal features that emerge and usually be restricted within relatively greater time scale interval.

Electron Beam Freeform Fabrication for Cost Effective Near-Net Shape Manufacturing

NASA Technical Reports Server (NTRS)

Taminger, Karen M.; Hafley, Robert A.

2006-01-01

Manufacturing of structural metal parts directly from computer aided design (CAD) data has been investigated by numerous researchers over the past decade. Researchers at NASA Langley Research Center are developing a new solid freeform fabrication process, electron beam freeform fabrication (EBF3), as a rapid metal deposition process that works efficiently with a variety of weldable alloys. EBF3 deposits of 2219 aluminium and Ti-6Al-4V have exhibited a range of grain morphologies depending upon the deposition parameters. These materials have exhibited excellent tensile properties comparable to typical handbook data for wrought plate product after post-processing heat treatments. The EBF3 process is capable of bulk metal deposition at deposition rates in excess of 2500 cm3/hr (150 in3/hr) or finer detail at lower deposition rates, depending upon the desired application. This process offers the potential for rapidly adding structural details to simpler cast or forged structures rather than the conventional approach of machining large volumes of chips to produce a monolithic metallic structure. Selective addition of metal onto simpler blanks of material can have a significant effect on lead time reduction and lower material and machining costs.

Electron Beam Freeform Fabrication (EBF3) for Cost Effective Near-Net Shape Manufacturing

NASA Technical Reports Server (NTRS)

Taminger, Karen M.; Hafley, Robert A.

2006-01-01

Manufacturing of structural metal parts directly from computer aided design (CAD) data has been investigated by numerous researchers over the past decade. Researchers at NASA Langley Research Center are developing a new solid freeform fabrication process, electron beam freeform fabrication (EBF3), as a rapid metal deposition process that works efficiently with a variety of weldable alloys. EBF3 deposits of 2219 aluminium and Ti-6Al-4V have exhibited a range of grain morphologies depending upon the deposition parameters. These materials have exhibited excellent tensile properties comparable to typical handbook data for wrought plate product after post-processing heat treatments. The EBF3 process is capable of bulk metal deposition at deposition rates in excess of 2500 cubic centimeters per hour (150 in3/hr) or finer detail at lower deposition rates, depending upon the desired application. This process offers the potential for rapidly adding structural details to simpler cast or forged structures rather than the conventional approach of machining large volumes of chips to produce a monolithic metallic structure. Selective addition of metal onto simpler blanks of material can have a significant effect on lead time reduction and lower material and machining costs.

Structure-Activity Relationships of Acyclic Selenopurine Nucleosides as Antiviral Agents.

PubMed

Sahu, Pramod K; Umme, Tamima; Yu, Jinha; Kim, Gyudong; Qu, Shuhao; Naik, Siddhi D; Jeong, Lak Shin

2017-07-12

A series of acyclic selenopurine nucleosides 3a - f and 4a - g were synthesized based on the bioisosteric rationale between oxygen and selenium, and then evaluated for antiviral activity. Among the compounds tested, seleno-acyclovir ( 4a ) exhibited the most potent anti-herpes simplex virus (HSV)-1 (EC 50 = 1.47 µM) and HSV-2 (EC 50 = 6.34 µM) activities without cytotoxicity up to 100 µM, while 2,6-diaminopurine derivatives 4e - g exhibited significant anti-human cytomegalovirus (HCMV) activity, which is slightly more potent than the guanine derivative 4d , indicating that they might act as prodrugs of seleno-ganciclovir ( 4d ).

Early detection of skin cancer via terahertz spectral profiling and 3D imaging.

PubMed

Rahman, Anis; Rahman, Aunik K; Rao, Babar

2016-08-15

Terahertz scanning reflectometry, terahertz 3D imaging and terahertz time-domain spectroscopy have been used to identify features in human skin biopsy samples diagnosed for basal cell carcinoma (BCC) and compared with healthy skin samples. It was found from the 3D images that the healthy skin samples exhibit regular cellular pattern while the BCC skin samples indicate lack of regular cell pattern. The skin is a highly layered structure organ; this is evident from the thickness profile via a scan through the thickness of the healthy skin samples, where, the reflected intensity of the terahertz beam exhibits fluctuations originating from different skin layers. Compared to the healthy skin samples, the BCC samples' profiles exhibit significantly diminished layer definition; thus indicating a lack of cellular order. In addition, terahertz time-domain spectroscopy reveals significant and quantifiable differences between the healthy and BCC skin samples. Thus, a combination of three different terahertz techniques constitutes a conclusive route for detecting the BCC condition on a cellular level compared to the healthy skin. Copyright © 2016 Elsevier B.V. All rights reserved.

In silico investigation of lavandulyl flavonoids for the development of potent fatty acid synthase-inhibitory prototypes

PubMed Central

Oh, Joonseok; Liu, Haining; Park, Hyun Bong; Ferreira, Daneel; Jeong, Gil-Saeng; Hamann, Mark T.; Doerksen, Robert J.; Na, MinKyun

2016-01-01

Background Inhibition of fatty acid synthase (FAS) is regarded as a sensible therapeutic strategy for the development of optimal anti-cancer agents. Flavonoids exhibit potent anti-neoplastic properties. Methods The MeOH extract of Sophora flavescens was subjected to chromatographic analyses such as VLC and HPLC for the purification of active flavonoids. The DP4 chemical-shift analysis protocol was employed to investigate the elusive chirality of the lavandulyl moiety of the purified polyphenols. Induced Fit docking protocols and per-residue analyses were utilized to scrutinize structural prerequisites for hampering FAS activity. The FAS-inhibitory activity of the purified flavonoids was assessed via the incorporation of [3H] acetyl-CoA into palmitate. Results Six flavonoids, including lavandulyl flavanones, were purified and evaluated for FAS inhibition. The lavandulyl flavanone sophoraflavanone G (2) exhibited the highest potency (IC50 of 6.7 ± 0.2 μM), which was more potent than the positive controls. Extensive molecular docking studies revealed the structural requirements for blocking FAS. Per-residue interaction analysis demonstrated that the lavandulyl functional group in the active flavonoids (1–3 and 5) significantly contributed to increasing their binding affinity towards the target enzyme. Conclusion This research suggests a basis for the in silico design of a lavandulyl flavonoid-based architecture showing anti-cancer effects via enhancement of the binding potential to FAS. General significance FAS inhibition by flavonoids and their derivatives may offer significant potential as an approach to lower the risk of various cancer diseases and related fatalities. In silico technologies with available FAS crystal structures may be of significant use in optimizing preliminary leads. PMID:27531709

A flexible and transparent graphene/ZnO nanorod hybrid structure fabricated by exfoliating a graphite substrate

NASA Astrophysics Data System (ADS)

Nam, Gwang-Hee; Baek, Seong-Ho; Cho, Chang-Hee; Park, Il-Kyu

2014-09-01

We demonstrate the fabrication of a graphene/ZnO nanorod (NR) hybrid structure by mechanical exfoliation of ZnO NRs grown on a graphite substrate. We confirmed the existence of graphene sheets on the hybrid structure by analyzing the Raman spectra and current-voltage (I-V) characteristics. The Raman spectra of the exfoliated graphene/ZnO NR hybrid structure show G and 2D band peaks that are shifted to lower wavenumbers, indicating that the exfoliated graphene layer exists under a significant amount of strain. The I-V characteristics of the graphene/ZnO NR hybrid structure show current flow through the graphene layer, while no current flow is observed on the ZnO NR/polydimethylsiloxane (PDMS) composite without graphene, thereby indicating that the few-layer graphene was successfully transferred onto the hybrid structure. A piezoelectric nanogenerator is demonstrated by using the fabricated graphene/ZnO NR hybrid structure. The nanogenerator exhibits stable output voltage up to 3.04 V with alternating current output characteristics.We demonstrate the fabrication of a graphene/ZnO nanorod (NR) hybrid structure by mechanical exfoliation of ZnO NRs grown on a graphite substrate. We confirmed the existence of graphene sheets on the hybrid structure by analyzing the Raman spectra and current-voltage (I-V) characteristics. The Raman spectra of the exfoliated graphene/ZnO NR hybrid structure show G and 2D band peaks that are shifted to lower wavenumbers, indicating that the exfoliated graphene layer exists under a significant amount of strain. The I-V characteristics of the graphene/ZnO NR hybrid structure show current flow through the graphene layer, while no current flow is observed on the ZnO NR/polydimethylsiloxane (PDMS) composite without graphene, thereby indicating that the few-layer graphene was successfully transferred onto the hybrid structure. A piezoelectric nanogenerator is demonstrated by using the fabricated graphene/ZnO NR hybrid structure. The nanogenerator exhibits stable output voltage up to 3.04 V with alternating current output characteristics. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr02318h

From SNOMED CT to Uberon: Transferability of evaluation methodology between similarly structured ontologies.

PubMed

Elhanan, Gai; Ochs, Christopher; Mejino, Jose L V; Liu, Hao; Mungall, Christopher J; Perl, Yehoshua

2017-06-01

To examine whether disjoint partial-area taxonomy, a semantically-based evaluation methodology that has been successfully tested in SNOMED CT, will perform with similar effectiveness on Uberon, an anatomical ontology that belongs to a structurally similar family of ontologies as SNOMED CT. A disjoint partial-area taxonomy was generated for Uberon. One hundred randomly selected test concepts that overlap between partial-areas were matched to a same size control sample of non-overlapping concepts. The samples were blindly inspected for non-critical issues and presumptive errors first by a general domain expert whose results were then confirmed or rejected by a highly experienced anatomical ontology domain expert. Reported issues were subsequently reviewed by Uberon's curators. Overlapping concepts in Uberon's disjoint partial-area taxonomy exhibited a significantly higher rate of all issues. Clear-cut presumptive errors trended similarly but did not reach statistical significance. A sub-analysis of overlapping concepts with three or more relationship types indicated a much higher rate of issues. Overlapping concepts from Uberon's disjoint abstraction network are quite likely (up to 28.9%) to exhibit issues. The results suggest that the methodology can transfer well between same family ontologies. Although Uberon exhibited relatively few overlapping concepts, the methodology can be combined with other semantic indicators to expand the process to other concepts within the ontology that will generate high yields of discovered issues. Copyright © 2017 Elsevier B.V. All rights reserved.

Do homologous thermophilic-mesophilic proteins exhibit similar structures and dynamics at optimal growth temperatures? A molecular dynamics simulation study.

PubMed

Basu, Sohini; Sen, Srikanta

2013-02-25

Structure and dynamics both are known to be important for the activity of a protein. A fundamental question is whether a thermophilic protein and its mesophilic homologue exhibit similar dynamics at their respective optimal growth temperatures. We have addressed this question by performing molecular dynamics (MD) simulations of a natural mesophilic-thermophilic homologue pair at their respective optimal growth temperatures to compare their structural, dynamical, and solvent properties. The MD simulations were done in explicit aqueous solvent under periodic boundary and constant pressure and temperature (CPT) conditions and continued for 10.0 ns using the same protocol for the two proteins, excepting the temperatures. The trajectories were analyzed to compare the properties of the two proteins. Results indicated that the dynamical behaviors of the two proteins at the respective optimal growth temperatures were remarkably similar. For the common residues in the thermophilic protein, the rms fluctuations have a general trend to be slightly higher compared to that in the mesophilic counterpart. Lindemann parameter values indicated that only a few residues exhibited solid-like dynamics while the protein as a whole appeared as a molten globule in each case. Interestingly, the water-water interaction was found to be strikingly similar in spite of the difference in temperatures while, the protein-water interaction was significantly different in the two simulations.

A Structure-Based Distance Metric for High-Dimensional Space Exploration with Multi-Dimensional Scaling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Hyun Jung; McDonnell, Kevin T.; Zelenyuk, Alla

2014-03-01

Although the Euclidean distance does well in measuring data distances within high-dimensional clusters, it does poorly when it comes to gauging inter-cluster distances. This significantly impacts the quality of global, low-dimensional space embedding procedures such as the popular multi-dimensional scaling (MDS) where one can often observe non-intuitive layouts. We were inspired by the perceptual processes evoked in the method of parallel coordinates which enables users to visually aggregate the data by the patterns the polylines exhibit across the dimension axes. We call the path of such a polyline its structure and suggest a metric that captures this structure directly inmore » high-dimensional space. This allows us to better gauge the distances of spatially distant data constellations and so achieve data aggregations in MDS plots that are more cognizant of existing high-dimensional structure similarities. Our MDS plots also exhibit similar visual relationships as the method of parallel coordinates which is often used alongside to visualize the high-dimensional data in raw form. We then cast our metric into a bi-scale framework which distinguishes far-distances from near-distances. The coarser scale uses the structural similarity metric to separate data aggregates obtained by prior classification or clustering, while the finer scale employs the appropriate Euclidean distance.« less

Freestanding palladium nanosheets with plasmonic and catalytic properties

NASA Astrophysics Data System (ADS)

Huang, Xiaoqing; Tang, Shaoheng; Mu, Xiaoliang; Dai, Yan; Chen, Guangxu; Zhou, Zhiyou; Ruan, Fangxiong; Yang, Zhilin; Zheng, Nanfeng

2011-01-01

Ultrathin metal films can exhibit quantum size and surface effects that give rise to unique physical and chemical properties. Metal films containing just a few layers of atoms can be fabricated on substrates using deposition techniques, but the production of freestanding ultrathin structures remains a significant challenge. Here we report the facile synthesis of freestanding hexagonal palladium nanosheets that are less than 10 atomic layers thick, using carbon monoxide as a surface confining agent. The as-prepared nanosheets are blue in colour and exhibit a well-defined but tunable surface plasmon resonance peak in the near-infrared region. The combination of photothermal stability and biocompatibility makes palladium nanosheets promising candidates for photothermal therapy. The nanosheets also exhibit electrocatalytic activity for the oxidation of formic acid that is 2.5 times greater than that of commercial palladium black catalyst.

Broadband light funneling in ultrasubwavelength channels having periodic connected unfilled apertures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Subramania, Ganapathi Subramanian; Brener, Igal; Foteinopoulou, Stavroula

2017-08-01

A structure for broadband light funneling comprises a two-dimensional periodic array of connected ultrasubwavelength apertures, each aperture comprising a large sub-aperture that aids in the coupling of the incoming incident light and a small sub-aperture that funnels a significant fraction of the incident light power. The structure possesses all the capabilities of prior extraordinary optical transmission platforms, yet operates nonresonantly on a distinctly different mechanism. The structure demonstrates efficient ultrabroadband funneling of optical power confined in an area as small as .about.(.lamda./500).sup.2, where optical fields are enhanced, thus exhibiting functional possibilities beyond resonant platforms.

Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action

PubMed Central

2014-01-01

A minor structural change to tertiary sulfonamide RORc ligands led to distinct mechanisms of action. Co-crystal structures of two compounds revealed mechanistically consistent protein conformational changes. Optimized phenylsulfonamides were identified as RORc agonists while benzylsulfonamides exhibited potent inverse agonist activity. Compounds behaving as agonists in our biochemical assay also gave rise to an increased production of IL-17 in human PBMCs whereas inverse agonists led to significant suppression of IL-17 under the same assay conditions. The most potent inverse agonist compound showed >180-fold selectivity over the ROR isoforms as well as all other nuclear receptors that were profiled. PMID:25815138

Effects of Nanoimprinted Structures on the Performance of Organic Solar Cells

DOE PAGES

Gill, Hardeep Singh; Li, Lian; Ren, Haizhou; ...

2018-01-01

The effect of nanoimprinted structures on the performance of organic bulk heterojunction solar cells was investigated. The nanostructures were formed over the active layer employing the soft lithographic technique. The measured incident photon-to-current efficiency revealed that the nanostructured morphology over the active layer can efficiently enhance both light harvesting and charge carrier collection due to improvement of the absorption of incident light and the buried nanostructured cathode, respectively. The devices prepared with the imprinted nanostructures exhibited significantly higher power conversion efficiencies as compared to those of the control cells.

Effects of Nanoimprinted Structures on the Performance of Organic Solar Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gill, Hardeep Singh; Li, Lian; Ren, Haizhou

The effect of nanoimprinted structures on the performance of organic bulk heterojunction solar cells was investigated. The nanostructures were formed over the active layer employing the soft lithographic technique. The measured incident photon-to-current efficiency revealed that the nanostructured morphology over the active layer can efficiently enhance both light harvesting and charge carrier collection due to improvement of the absorption of incident light and the buried nanostructured cathode, respectively. The devices prepared with the imprinted nanostructures exhibited significantly higher power conversion efficiencies as compared to those of the control cells.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Semenov, A. N.

We propose a new spin-glass model with no positional quenched disorder which is regarded as a coarse-grained model of a structural glass-former. The model is analyzed in the 1D case when the number N of states of a primary cell is large. For N → ∞, the model exhibits a sharp freezing transition of the thermodynamic origin. It is shown both analytically and numerically that the glass transition is accompanied by a significant growth of a static length scale ξ pointing to the structural (equilibrium) nature of dynamical slowdown effects in supercooled liquids.

Structural and Histone Binding Ability Characterizations of Human PWWP Domains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Hong; Zeng, Hong; Lam, Robert

2013-09-25

The PWWP domain was first identified as a structural motif of 100-130 amino acids in the WHSC1 protein and predicted to be a protein-protein interaction domain. It belongs to the Tudor domain 'Royal Family', which consists of Tudor, chromodomain, MBT and PWWP domains. While Tudor, chromodomain and MBT domains have long been known to bind methylated histones, PWWP was shown to exhibit histone binding ability only until recently. The PWWP domain has been shown to be a DNA binding domain, but sequence analysis and previous structural studies show that the PWWP domain exhibits significant similarity to other 'Royal Family' members,more » implying that the PWWP domain has the potential to bind histones. In order to further explore the function of the PWWP domain, we used the protein family approach to determine the crystal structures of the PWWP domains from seven different human proteins. Our fluorescence polarization binding studies show that PWWP domains have weak histone binding ability, which is also confirmed by our NMR titration experiments. Furthermore, we determined the crystal structures of the BRPF1 PWWP domain in complex with H3K36me3, and HDGF2 PWWP domain in complex with H3K79me3 and H4K20me3. PWWP proteins constitute a new family of methyl lysine histone binders. The PWWP domain consists of three motifs: a canonical {beta}-barrel core, an insertion motif between the second and third {beta}-strands and a C-terminal {alpha}-helix bundle. Both the canonical {beta}-barrel core and the insertion motif are directly involved in histone binding. The PWWP domain has been previously shown to be a DNA binding domain. Therefore, the PWWP domain exhibits dual functions: binding both DNA and methyllysine histones.« less

Ion transport and structural dynamics in homologous ammonium and phosphonium-based room temperature ionic liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Griffin, Philip J., E-mail: pgrif@seas.upenn.edu; Holt, Adam P.; Tsunashima, Katsuhiko

2015-02-28

Charge transport and structural dynamics in a homologous pair of ammonium and phosphonium based room temperature ionic liquids (ILs) have been characterized over a wide temperature range using broadband dielectric spectroscopy and quasi-elastic light scattering spectroscopy. We have found that the ionic conductivity of the phosphonium based IL is significantly enhanced relative to the ammonium homolog, and this increase is primarily a result of a lower glass transition temperature and higher ion mobility. Additionally, these ILs exhibit pronounced secondary relaxations which are strongly influenced by the atomic identity of the cation charge center. While the secondary relaxation in the phosphoniummore » IL has the expected Arrhenius temperature dependence characteristic of local beta relaxations, the corresponding relaxation process in the ammonium IL was found to exhibit a mildly non-Arrhenius temperature dependence in the measured temperature range—indicative of molecular cooperativity. These differences in both local and long-range molecular dynamics are a direct reflection of the subtly different inter-ionic interactions and mesoscale structures found in these homologous ILs.« less

Possible ferrimagnetism and ferroelectricity of half-substituted rare-earth titanate: A first-principles study on Y0.5La0.5TiO3

NASA Astrophysics Data System (ADS)

An, Ming; Zhang, Hui-Min; Weng, Ya-Kui; Zhang, Yang; Dong, Shuai

2016-04-01

Titanates with the perovskite structure, including ferroelectrics (e.g., BaTiO3) and ferromagnetic ones (e.g., YTiO3), are important functional materials. Recent theoretical studies predicted multiferroic states in strained EuTiO3 and titanate superlattices, the former of which has already been experimental confirmed. Here, a first-principles calculation is performed to investigate the structural, magnetic, and electronic properties of Y half-substituted LaTiO3. Our results reveal that the magnetism of Y0.5La0.5TiO3 sensitively depends on its structural details because of the inherent phase competition. The lowest energy state is the ferromagnetic state, resulting in 0.25 μ B /Ti. Furthermore, some configurations of Y0.5La0.5TiO3 exhibit hybrid improper polarizations, which can be significantly affected by magnetism, resulting in the multiferroic properties. Because of the quenching disorder of substitution, the real Y0.5La0.5TiO3 material with random A-site ions may exhibit interesting relaxor behaviors.

Local structural effects in Sr 3NiRhO 6 across magnetic transitions

DOE PAGES

Singh, Navneet; Khalid, S.; Bindu, R.

2016-04-06

Here, we investigate the temperature dependence of the structural parameters of quasi-one-dimensional Sr 3NiRhO 6 across the region of magnetic phase transitions using Ni K-edge and Sr K-edge x-ray absorption spectroscopy (XAS). The features in the x-ray absorption near-edge region are identified using multiple scattering calculations. The temperature-dependent extended x-ray absorption fine structure (EXAFS) studies show that the setting of the intra-chain super exchange interaction starts at ~200 K, which is well above the first transition temperature (45 K) revealed by magnetic susceptibility studies. The onset of the inter-chain super–super exchange interaction appears to be at ~125 K. Interestingly, themore » role played by direct exchange interaction between the Ni 3d and Rh 4d states in stabilising the magnetic interaction is less significant. The present results shed light on the generic features exhibited by isostructural compounds and may help in identifying the magnetic exchange pathways useful for understanding the unusual properties exhibited by such compounds.« less

Ion transport and structural dynamics in homologous ammonium and phosphonium-based room temperature ionic liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Griffin, Phillip J.; Holt, Adam P.; Tsunashima, Katsuhiko

2015-02-01

Charge transport and structural dynamics in a homologous pair of ammonium and phosphonium based room temperature ionic liquids (ILs) have been characterized over a wide temperature range using broadband dielectric spectroscopy and quasi-elastic light scattering spectroscopy. We have found that the ionic conductivity of the phosphonium based IL is significantly enhanced relative to the ammonium homolog, and this increase is primarily a result of a lower glass transition temperature and higher ion mobility. Additionally, these ILs exhibit pronounced secondary relaxations which are strongly influenced by the atomic identity of the cation charge center. While the secondary relaxation in the phosphoniummore » IL has the expected Arrhenius temperature dependence characteristic of local beta relaxations, the corresponding relaxation process in the ammonium IL was found to exhibit a mildly non-Arrhenius temperature dependence in the measured temperature range-indicative of molecular cooperativity. These differences in both local and long-range molecular dynamics are a direct reflection of the subtly different inter-ionic interactions and mesoscale structures found in these homologous ILs.« less

Structure-activity relationships of insect defensins

NASA Astrophysics Data System (ADS)

Koehbach, Johannes

2017-07-01

Insects make up the largest and most diverse group of organisms on earth with several million species to exist in total. Considering the sheer number of insect species and the vast variety of ways they interact with their environment through chemistry, it is clear that they have significant potential as a source of new lead molecules. They have adapted to a range of ecological habitats and exhibit a symbiotic lifestyle with various microbes such as bacteria and fungi. Accordingly, numerous antimicrobial compounds have been identified including for example defensin peptides. Insect defensins were found to have broad-spectrum activity against various gram-positive/negative bacteria as well as fungi. They exhibit a unique structural topology involving the complex arrangement of three disulfide bonds as well as an alpha helix and beta sheets, which is known as cysteine-stabilized αβ motif. Their stability and amenability to peptide engineering make them promising candidates for the development of novel antibiotics lead molecules. This review highlights the current knowledge regarding the structure-activity relationships of insect defensin peptides and provides basis for future studies focusing on the rational design of novel cysteine-rich antimicrobial peptides.

Communication: Hydrogen bonding interactions in water-alcohol mixtures from X-ray absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lam, Royce K.; Smith, Jacob W.; Saykally, Richard J., E-mail: saykally@berkeley.edu

While methanol and ethanol are macroscopically miscible with water, their mixtures exhibit negative excess entropies of mixing. Despite considerable effort in both experiment and theory, there remains significant disagreement regarding the origin of this effect. Different models for the liquid mixture structure have been proposed to address this behavior, including the enhancement of the water hydrogen bonding network around the alcohol hydrophobic groups and microscopic immiscibility or clustering. We have investigated mixtures of methanol, ethanol, and isopropanol with water by liquid microjet X-ray absorption spectroscopy on the oxygen K-edge, an atom-specific probe providing details of both inter- and intra-molecular structure.more » The measured spectra evidence a significant enhancement of hydrogen bonding originating from the methanol and ethanol hydroxyl groups upon the addition of water. These additional hydrogen bonding interactions would strengthen the liquid-liquid interactions, resulting in additional ordering in the liquid structures and leading to a reduction in entropy and a negative enthalpy of mixing, consistent with existing thermodynamic data. In contrast, the spectra of the isopropanol-water mixtures exhibit an increase in the number of broken alcohol hydrogen bonds for mixtures containing up to 0.5 water mole fraction, an observation consistent with existing enthalpy of mixing data, suggesting that the measured negative excess entropy is a result of clustering or micro-immiscibility.« less

Comparison of Internet-based and paper-based questionnaires in Taiwan using multisample invariance approach.

PubMed

Yu, Sen-Chi; Yu, Min-Ning

2007-08-01

This study examines whether the Internet-based questionnaire is psychometrically equivalent to the paper-based questionnaire. A random sample of 2,400 teachers in Taiwan was divided into experimental and control groups. The experimental group was invited to complete the electronic form of the Chinese version of Center for Epidemiologic Studies Depression Scale (CES-D) placed on the Internet, whereas the control group was invited to complete the paper-based CES-D, which they received by mail. The multisample invariance approach, derived from structural equation modeling (SEM), was applied to analyze the collected data. The analytical results show that the two groups have equivalent factor structures in the CES-D. That is, the items in CES-D function equivalently in the two groups. Then the equality of latent mean test was performed. The latent means of "depressed mood," "positive affect," and "interpersonal problems" in CES-D are not significantly different between these two groups. However, the difference in the "somatic symptoms" latent means between these two groups is statistically significant at alpha = 0.01. But the Cohen's d statistics indicates that such differences in latent means do not apparently lead to a meaningful effect size in practice. Both CES-D questionnaires exhibit equal validity, reliability, and factor structures and exhibit a little difference in latent means. Therefore, the Internet-based questionnaire represents a promising alternative to the paper-based questionnaire.

Synthesis, Structural Characterization and Antinociceptive Activities of New Arylated Quinolines via Suzuki-Miyaura Cross Coupling Reaction.

PubMed

Ullah, Malik A; Adeel, Muhammad; Tahir, Muhammad N; Rauf, Abdur; Akram, Muhammad; Hadda, Taibi B; Mabkhot, Yahia N; Muhammad, Naveed; Naseer, Fehmida; Mubarak, Mohammad S

2017-01-01

The quinoline ring system is one of the most commonly encountered heterocycles in medicinal chemistry, due to the pharmaceutical and medicinal uses of derivatives containing this ring. These quinoline-based compounds have remarkable biological activity, as they are employed as antimalarial, antibacterial, antifungal, and antitumor agents. The quinoline nucleus can be synthesized by various traditional methods such as the Skraup reaction, Friedlaender synthesis, Combes quinoline synthesis, Larock quinoline synthesis, among others. The aim of the present work is to synthesize a number of new arylated quninolines having significant antinoceciptive effect through the Suzuki-Miyaura cross coupling reaction using 3- bromoquinoline as a starting material. A number of new quinoline derivatives have been synthesized. Structures of the newly synthesized compounds were confirmed by means of IR, NMR, and mass spectrometry, and by elemental analysis. In addition, the molecular structures of two representative derivatives were determined with the aid of X-ray crystallography. Additionally, the antinociceptive activity of the prepared compounds was evaluated in vivo; results revealed that most of the tested compounds exhibited a dosedependent antinociceptive effect. Prepared compounds were found to exhibit significant antinociceptive activities and could be used as potential analgesic agents. Further work, however, may be required to establish the safety and efficacy of these compounds. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Reduced brain resting-state network specificity in infants compared with adults.

PubMed

Wylie, Korey P; Rojas, Donald C; Ross, Randal G; Hunter, Sharon K; Maharajh, Keeran; Cornier, Marc-Andre; Tregellas, Jason R

2014-01-01

Infant resting-state networks do not exhibit the same connectivity patterns as those of young children and adults. Current theories of brain development emphasize developmental progression in regional and network specialization. We compared infant and adult functional connectivity, predicting that infants would exhibit less regional specificity and greater internetwork communication compared with adults. Functional magnetic resonance imaging at rest was acquired in 12 healthy, term infants and 17 adults. Resting-state networks were extracted, using independent components analysis, and the resulting components were then compared between the adult and infant groups. Adults exhibited stronger connectivity in the posterior cingulate cortex node of the default mode network, but infants had higher connectivity in medial prefrontal cortex/anterior cingulate cortex than adults. Adult connectivity was typically higher than infant connectivity within structures previously associated with the various networks, whereas infant connectivity was frequently higher outside of these structures. Internetwork communication was significantly higher in infants than in adults. We interpret these findings as consistent with evidence suggesting that resting-state network development is associated with increasing spatial specificity, possibly reflecting the corresponding functional specialization of regions and their interconnections through experience.

Controlling the microstructure and associated magnetic properties of Ni 0.2Mn 3.2Ga 0.6 melt-spun ribbons by annealing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khan, Mahmud; Alshammari, Ohud; Balasubramanian, Balamurugan

2017-03-01

Here we report on the structural and magnetic properties of Ni 0.2Mn 3.2Ga 0.6 melt-spun ribbons. The as-spun ribbons were found to exhibit mixed cubic phases that transform to non-cubic structure upon annealing. Additionally, an amorphous phase was found to co-exist in all ribbons. The SEM images show that minor grain formation occurs on the as-spun ribbons. However, the formation of extensive nano-grains was observed on the surfaces of the annealed ribbons. While the as-spun ribbons exhibit predominantly paramagnetic behavior, the ribbons annealed under various thermal conditions were found to be ferromagnetic with a Curie temperature of about 380 K.more » The ribbons annealed at 450 °C for 30 minutes exhibit a large coercive field of about 2500 Oe. The experimental results show that the microstructure and associated magnetic properties of the ribbons can be controlled by annealing techniques. The coercive fields and the shape of the magnetic hysteresis loops vary significantly with annealing conditions. As a result, exchange bias effects have also been observed in the annealed ribbons.« less

THE EFFECT OF PRESSURE ON THE OXIDATION STATE OF IRON, IV. THIOCYANATE AND ISOTHIOCYANATE LIGANDS*

PubMed Central

Fung, S. C.; Drickamer, H. G.

1969-01-01

The effect of pressure on the Mössbauer resonance spectra of Fe(III) with thiocyanate (M-SCN) and isothiocyanate (M-NCS) ligands has been studied. Fe(NCS)3·6H2O, which has the isothiocyanate structure, reduces with increasing pressure, reversibly, and with a pressure dependence for the conversion very similar to that shown by a wide variety of ionic ferric compounds. K3Fe(SCN)6 has the thiocyanate structure. At low pressures, it exhibits a significantly larger reduction than the Fe(NCS)3. With increasing pressure the thiocyanate complexes isomerize, each complex apparently exhibiting about the same degree of conversion at a given pressure. At 150 kb the isomerization is essentially complete. The reduction of the Fe(III) to Fe(II) is reversible but the isomerization is not, and the sample, when powdered and reloaded in the high-pressure cell, exhibits the isomer shift, quadrupole splitting, and Fe(III) to Fe(II) conversion characteristic of an isothiocyanate. Heating the thiocyanate to 110°C at 5 kb yields a mixture of thiocyanate and isothiocyanate that converts with pressure completely to the isothiocyanate. PMID:16591728

Reticulate Structures Reveal the Significance of Cell Motility in the Morphogenesis of Complex Microbial Structures in Pavilion Lake, British Columbia

NASA Astrophysics Data System (ADS)

Shepard, R.

2008-12-01

Microbial communities are architects of incredibly complex and diverse morphological structures. Each morphology is a snapshot that reflects the complex interactions within the microbial community and between the community and its environment. Characterizing morphology as an emergent property of microbial communities is thus relevant to understanding the evolution of multicellularity and complexity in developmental systems, to the identification of biosignatures, and to furthering our understanding of modern and ancient microbial ecology. Recently discovered cyanobacterial mats in Pavilion Lake, British Columbia construct unusual complex architecture on the scale of decimeters that incorporates significant void space. Fundamental mesoscale morphological elements include terraces, arches, bridges, depressions, domes, and pillars. The mats themselves also exhibit several microscale morphologies, with reticulate structures being the dominant example. The reticulate structures exhibit a diverse spectrum of morphologies with endmembers characterized by either angular or curvilinear ridges. In laboratory studies, aggregation into reticulate structures occurs as a result of the random gliding and colliding among motile cyanobacterial filaments. Likewise, when Pavilion reticulate mats were sampled and brought to the surface, cyanobacteria invariably migrated out of the mat onto surrounding surfaces. Filaments were observed to move rapidly in clumps, preferentially following paths of previous filaments. The migrating filaments organized into new angular and ropey reticulate biofilms within hours of sampling, demonstrating that cell motility is responsible for the reticulate patterns. Because the morphogenesis of reticulate structures can be linked to motility behaviors of filamentous cyanobacteria, the Willow Point mats provide a unique natural laboratory in which to elucidate the connections between a specific microbial behavior and the construction of complex microbial community morphology. To this end, we identified and characterized fundamental building blocks of the mesoscale morphologies, including bridges, anchors, and curved edges. These morphological building blocks were compared with the suite of motility behaviors and patterns observed in reticulate morphogenesis. Results of this comparison suggest that cyanobacterial motility plays a significant and often dominant role in the morphogenesis of the entire suite of morphologies observed in the microbial mats of Pavilion Lake.

Improving Urban Minority Girls' Health Via Community Summer Programming.

PubMed

Bohnert, Amy M; Bates, Carolyn R; Heard, Amy M; Burdette, Kimberly A; Ward, Amanda K; Silton, Rebecca L; Dugas, Lara R

2017-12-01

Summertime has emerged as a high-risk period for weight gain among low-income minority youth who often experience a lack of resources when not attending school. Structured programming may be an effective means of reducing risk for obesity by improving obesogenic behaviors among these youth. The current multi-method study examined sedentary time, physical activity, and dietary intake among low-income urban minority girls in two contexts: an unstructured summertime setting and in the context of a structured 4-week community-based summer day camp program promoting physical activity. Data were analyzed using paired-sample t tests and repeated-measure analyses of variance with significance at the p < .05 level. Results evidenced no significant differences in total calories and fat consumed between the unstructured and structured settings. Participants exhibited significant increases in fruit consumption and physical activity and significant decreases in sedentary time of over 2 h/day and dairy consumption when engaged in structured summer programming. All improvements were independent of weight status and age, and African-American participants evidenced greater changes in physical activity during programming. The study concludes that structured, community-based summertime programming may be associated with fewer obesogenic behaviors in low-income urban youth and may be a powerful tool to address disparities in weight gain and obesity among high-risk samples.

Songbird response to increased willow (Salix spp.) growth in Yellowstone's northern range.

PubMed

Baril, Lisa M; Hansen, Andrew J; Renkin, Roy; Lawrence, Rick

2011-09-01

After nearly a century of height suppression, willows (Salix spp.) in the northern range of Yellowstone National Park, U.S.A., are increasing in height growth as a possible consequence of wolf (Canis lupus) restoration, climate change, or other factors. Regardless of the drivers, the recent release of this rare but important habitat type could have significant implications for associated songbirds that are exhibiting declines in the region. Our objective was to evaluate bird response to releasing willows by comparing willow structure and bird community composition across three willow growth conditions: height suppressed, recently released, and previously tall (i.e., tall prior to the height increase of released willows). Released and previously tall willows exhibited high and similar vertical structure, but released willows were significantly lower in horizontal structure. Suppressed willows were significantly shorter and lower in horizontal cover than released or previously tall willows. Bird richness increased along a gradient from lowest in suppressed to highest in previously tall willows, but abundance and diversity were similar between released and previously tall willows, despite lower horizontal cover in the released condition. Common Yellowthroat (Geothlypis trichas) and Lincoln's Sparrow (Melospiza lincolnii) were found in all three growth conditions; however, Yellow Warbler (Dendroica petechia), Warbling Vireo (Vireo gilvus), Willow Flycatcher (Empidonax traillii), and Song Sparrow (Melospiza melodii) were present in released and previously tall willows only. Wilson's Warbler (Wilsonia pusilla) was found in previously tall willows only, appearing to specialize on tall, dense willows. The results of our a priori habitat models indicated that foliage height diversity was the primary driver of bird richness, abundance, and diversity. These results indicate that vertical structure was a more important driver of bird community variables than horizontal structure and that riparian and willow-dependent bird species have responded positively to increased willow growth in the region.

Cellular Plasticity in the Diabetic Myocardium

DTIC Science & Technology

2017-09-01

pathogenesis of cardiac dysfunction associated with metabolic disease . 8 Fig. 1: The db/db mouse recapitulates features of human Heart failure with ...patients, hypertensive heart disease is associated with development of interstitial and periarteriolar fibrosis even in the absence of significant cor...increased secretion of structural matrix proteins. The cardiac ECM in metabolic disease Diabetics exhibit a high incidence of heart failure with

Three novel degraded steroids from cultures of the Basidiomycete Antrodiella albocinnamomea.

PubMed

Chen, Zi-Ming; Yang, Xiao-Yan; Fan, Qiong-Ying; Li, Zheng-Hui; Wei, Kun; Chen, He-Ping; Feng, Tao; Liu, Ji-Kai

2014-09-01

Three novel degraded steroids, named albocisterols A-C (1-3), have been isolated from cultures of Antrodiella albocinnamomea. Their structures were defined by comprehensive spectroscopic analysis and single crystal X-ray crystallography. The mixture of compounds 2 and 3 exhibited significant inhibitory activities against protein tyrosine phosphatase 1B (PTP1B). Copyright © 2014 Elsevier Ltd. All rights reserved.

Population structure and genetic diversity of greater sage-grouse (Centrocercus urophasianus) in fragmented landscapes at the northern edge of their range

USGS Publications Warehouse

Bush, K.L.; Dyte, C.K.; Moynahan, B.J.; Aldridge, Cameron L.; Sauls, H.S.; Battazzo, A.M.; Walker, B.L.; Doherty, K.E.; Tack, J.; Carlson, J.; Eslinger, D.; Nicholson, J.; Boyce, M.S.; Naugle, D.E.; Paszkowski, C.A.; Coltman, D.W.

2011-01-01

Range-edge dynamics and anthropogenic fragmentation are expected to impact patterns of genetic diversity, and understanding the influence of both factors is important for effective conservation of threatened wildlife species. To examine these factors, we sampled greater sage-grouse (Centrocercus urophasianus) from a declining, fragmented region at the northern periphery of the species' range and from a stable, contiguous core region. We genotyped 2,519 individuals at 13 microsatellite loci from 104 leks in Alberta, Saskatchewan, Montana, and Wyoming. Birds from northern Montana, Alberta, and Saskatchewan were identified as a single population that exhibited significant isolation by distance, with the Milk River demarcating two subpopulations. Both subpopulations exhibited high genetic diversity with no evidence that peripheral regions were genetically depauperate or highly structured. However, river valleys and a large agricultural region were significant barriers to dispersal. Leks were also composed primarily of non-kin, rejecting the idea that leks form because of male kin association. Northern Montana sage-grouse are maintaining genetic connectivity in fragmented and northern peripheral habitats via dispersal through and around various forms of fragmentation. ?? 2010 Springer Science+Business Media B.V.

Genetic structure and diversity in natural and stocked populations of the mandarin fish (Siniperca chuatsi) in China.

PubMed

Yang, M; Tian, C; Liang, X-F; Zheng, H; Zhao, C; Zhu, K

2015-05-18

The Chinese perch, or mandarin fish (Siniperca chuatsi), is a freshwater fish that is endemic to East Asia. In this study, we investigated the genetic diversity and structure of nine natural mandarin fish populations (from the Yangtze River and Amur River basins) and six hatchery stocks (from central and south China) using microsatellite markers. The results show that the genetic diversity of the Yangtze River populations was high and stable, and genetic differences between them were not significant. In contrast, a low level of genetic diversity and strong genetic structure were detected in the Amur River population. These results suggest that the Yangtze River region and the Amur River region should be treated as two separate units in conservation programs. The hatchery stocks exhibited low genetic diversity and significant genetic differentiation compared to natural populations; this may result in a significant impact on the species if escape events occur. Therefore, a scientific aquaculture management strategy is necessary for the long-term development of hatcheries.

Increased microbial functional diversity under long-term organic and integrated fertilization in a paddy soil.

PubMed

Ding, Long-Jun; Su, Jian-Qiang; Sun, Guo-Xin; Wu, Jin-Shui; Wei, Wen-Xue

2018-02-01

Microbes play key roles in diverse biogeochemical processes including nutrient cycling. However, responses of soil microbial community and functional genes to long-term integrated fertilization (chemical combined with organic fertilization) remain unclear. Here, we used pyrosequencing and a microarray-based GeoChip to explore the shifts of microbial community and functional genes in a paddy soil which received over 21-year fertilization with various regimes, including control (no fertilizer), rice straw (R), rice straw plus chemical fertilizer nitrogen (NR), N and phosphorus (NPR), NP and potassium (NPKR), and reduced rice straw plus reduced NPK (L-NPKR). Significant shifts of the overall soil bacterial composition only occurred in the NPKR and L-NPKR treatments, with enrichment of certain groups including Bradyrhizobiaceae and Rhodospirillaceae families that benefit higher productivity. All fertilization treatments significantly altered the soil microbial functional structure with increased diversity and abundances of genes for carbon and nitrogen cycling, in which NPKR and L-NPKR exhibited the strongest effect, while R exhibited the least. Functional gene structure and abundance were significantly correlated with corresponding soil enzymatic activities and rice yield, respectively, suggesting that the structural shift of the microbial functional community under fertilization might promote soil nutrient turnover and thereby affect yield. Overall, this study indicates that the combined application of rice straw and balanced chemical fertilizers was more pronounced in shifting the bacterial composition and improving the functional diversity toward higher productivity, providing a microbial point of view on applying a cost-effective integrated fertilization regime with rice straw plus reduced chemical fertilizers for sustainable nutrient management.

Modular fabrication and characterization of complex silicon carbide composite structures Advanced Reactor Technologies (ART) Research Final Report (Feb 2015 – May 2017)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khalifa, Hesham

Advanced ceramic materials exhibit properties that enable safety and fuel cycle efficiency improvements in advanced nuclear reactors. In order to fully exploit these desirable properties, new processing techniques are required to produce the complex geometries inherent to nuclear fuel assemblies and support structures. Through this project, the state of complex SiC-SiC composite fabrication for nuclear components has advanced significantly. New methods to produce complex SiC-SiC composite structures have been demonstrated in the form factors needed for in-core structural components in advanced high temperature nuclear reactors. Advanced characterization techniques have been employed to demonstrate that these complex SiC-SiC composite structures providemore » the strength, toughness and hermeticity required for service in harsh reactor conditions. The complex structures produced in this project represent a significant step forward in leveraging the excellent high temperature strength, resistance to neutron induced damage, and low neutron cross section of silicon carbide in nuclear applications.« less

The Effect of Heat Treatment on the Sensitized Corrosion of the 5383-H116 Al-Mg Alloy

PubMed Central

Lin, Ying-Kai; Wang, Shing-Hai; Chen, Ren-Yu; Hsieh, Tso-Sheng; Tsai, Liren; Chiang, Chia-Chin

2017-01-01

In this study, the effects of heat treatment and sensitized corrosion on the 5383-H116 Al-Mg alloy were investigated for temperatures ranging from 100 to 450 °C. The results show that the heat treatment temperature is the main factor that causes changes to the microstructure and mechanical strength of the 5383-H116 Al-Mg alloy, inducing β-phase (Al3Mg2) precipitation in the form of a continuous layer along the grain boundaries. Intergranular corrosion was caused by the β-phase of the grain boundary precipitation, and the corrosion susceptibility of the recrystallized structure was significantly higher than the corrosion susceptibility of the recovered structure. According to the conductivity values detected, β-phase precipitation can enhance the 5383-H116 Al-Mg alloy conductivity, with the response due to structural dislocation density being higher than that due to the recrystallized structure. As such, the β-phase precipitation after sensitization is more significant than the β-phase precipitation prior to the sensitization, such that after sensitization, the conductivity rises to a significantly higher level than that exhibited by the recrystallization structure. PMID:28772635

Reduced sensitivity to context in language comprehension: A characteristic of Autism Spectrum Disorders or of poor structural language ability?

PubMed

Eberhardt, Melanie; Nadig, Aparna

2018-01-01

We present two experiments examining the universality and uniqueness of reduced context sensitivity in language processing in Autism Spectrum Disorders (ASD), as proposed by the Weak Central Coherence account (Happé & Frith, 2006, Journal of Autism and Developmental Disorders, 36(1), 25). That is, do all children with ASD exhibit decreased context sensitivity, and is this characteristic specific to ASD versus other neurodevelopmental conditions? Experiment 1, conducted in English, was a comparison of children with ASD with normal language and their typically-developing peers on a picture selection task where interpretation of sentential context was required to identify homonyms. Contrary to the predictions of Weak Central Coherence, the ASD-normal language group exhibited no difficulty on this task. Experiment 2, conducted in German, compared children with ASD with variable language abilities, typically-developing children, and a second control group of children with Language Impairment (LI) on a sentence completion task where a context sentence had to be considered to produce the continuation of an ambiguous sentence fragment. Both ASD-variable language and LI groups exhibited reduced context sensitivity and did not differ from each other. Finally, to directly test which factors contribute to reduced context sensitivity, we conducted a regression analysis for each experiment, entering nonverbal IQ, structural language ability, and autism diagnosis as predictors. For both experiments structural language ability emerged as the only significant predictor. These convergent findings demonstrate that reduced sensitivity to context in language processing is linked to low structural language rather than ASD diagnosis. Copyright © 2016 Elsevier Ltd. All rights reserved.

Structure-based design of an osteoclast-selective, nonpeptide Src homology 2 inhibitor with in vivo antiresorptive activity

PubMed Central

Shakespeare, William; Yang, Michael; Bohacek, Regine; Cerasoli, Franklin; Stebbins, Karin; Sundaramoorthi, Raji; Azimioara, Mihai; Vu, Chi; Pradeepan, Selvi; Metcalf, Chester; Haraldson, Chad; Merry, Taylor; Dalgarno, David; Narula, Surinder; Hatada, Marcos; Lu, Xiaode; van Schravendijk, Marie Rose; Adams, Susan; Violette, Shelia; Smith, Jeremy; Guan, Wei; Bartlett, Catherine; Herson, Jay; Iuliucci, John; Weigele, Manfred; Sawyer, Tomi

2000-01-01

Targeted disruption of the pp60src (Src) gene has implicated this tyrosine kinase in osteoclast-mediated bone resorption and as a therapeutic target for the treatment of osteoporosis and other bone-related diseases. Herein we describe the discovery of a nonpeptide inhibitor (AP22408) of Src that demonstrates in vivo antiresorptive activity. Based on a cocrystal structure of the noncatalytic Src homology 2 (SH2) domain of Src complexed with citrate [in the phosphotyrosine (pTyr) binding pocket], we designed 3′,4′-diphosphonophenylalanine (Dpp) as a pTyr mimic. In addition to its design to bind Src SH2, the Dpp moiety exhibits bone-targeting properties that confer osteoclast selectivity, hence minimizing possible undesired effects on other cells that have Src-dependent activities. The chemical structure AP22408 also illustrates a bicyclic template to replace the post-pTyr sequence of cognate Src SH2 phosphopeptides such as Ac-pTyr-Glu-Glu-Ile (1). An x-ray structure of AP22408 complexed with Lck (S164C) SH2 confirmed molecular interactions of both the Dpp and bicyclic template of AP22408 as predicted from molecular modeling. Relative to the cognate phosphopeptide, AP22408 exhibits significantly increased Src SH2 binding affinity (IC50 = 0.30 μM for AP22408 and 5.5 μM for 1). Furthermore, AP22408 inhibits rabbit osteoclast-mediated resorption of dentine in a cellular assay, exhibits bone-targeting properties based on a hydroxyapatite adsorption assay, and demonstrates in vivo antiresorptive activity in a parathyroid hormone-induced rat model. PMID:10944210

Molecular structure, supramolecular organization and thermotropic phase behavior of N-acylglycine alkyl esters with matched acyl and alkyl chains.

PubMed

Reddy, S Thirupathi; Swamy, Musti J

2017-11-01

N-Acylglycines (NAGs), the endogenous single-tailed lipids present in rat brain and other mammalian tissues, play significant roles in cell physiology and exhibit interesting pharmacological properties. In the present study, a homologous series of N-acylglycine alkyl esters (NAGEs) with matched chains were synthesized and characterized. Results of differential scanning calorimetric studies revealed that all NAGEs exhibit a single sharp phase transition and that the transition enthalpy and entropy show a linear dependence on the N-acyl and ester alkyl chain length. The structure of N-myristoylglycine myristyl ester (NMGME), solved by single-crystal X-ray diffraction, showed that the molecule adopts a linear geometry and revealed that the structure of N-myristoyl glycyl moiety in NMGME is identical to that in N-myristoylglycine. The molecules are packed in layers with the polar functional groups of the ester and amide functionalities located at the center of the layer. The crystal packing is stabilized by NH⋯O hydrogen bonds between the amide CO and NH groups of adjacent molecules as well as by CH⋯O hydrogen bonds between the amide carbonyl and the methylene CH adjacent to the ester carbonyl of neighboring molecules as well as between ester carbonyl and methylene group of the glycine moiety of adjacent molecules. Powder X-ray diffraction studies showed a linear dependence of the d-spacings on the acyl chain length, suggesting that all NAGEs adopt a structure similar to the packing exhibited in the crystal lattice of NMGME. Copyright © 2017 Elsevier B.V. All rights reserved.

Probabilistic structural mechanics research for parallel processing computers

NASA Technical Reports Server (NTRS)

Sues, Robert H.; Chen, Heh-Chyun; Twisdale, Lawrence A.; Martin, William R.

1991-01-01

Aerospace structures and spacecraft are a complex assemblage of structural components that are subjected to a variety of complex, cyclic, and transient loading conditions. Significant modeling uncertainties are present in these structures, in addition to the inherent randomness of material properties and loads. To properly account for these uncertainties in evaluating and assessing the reliability of these components and structures, probabilistic structural mechanics (PSM) procedures must be used. Much research has focused on basic theory development and the development of approximate analytic solution methods in random vibrations and structural reliability. Practical application of PSM methods was hampered by their computationally intense nature. Solution of PSM problems requires repeated analyses of structures that are often large, and exhibit nonlinear and/or dynamic response behavior. These methods are all inherently parallel and ideally suited to implementation on parallel processing computers. New hardware architectures and innovative control software and solution methodologies are needed to make solution of large scale PSM problems practical.

Band structure engineering strategies of metal oxide semiconductor nanowires and related nanostructures: A review

NASA Astrophysics Data System (ADS)

Piyadasa, Adimali; Wang, Sibo; Gao, Pu-Xian

2017-07-01

The electronic band structure of a solid state semiconductor determines many of its physical and chemical characteristics such as electrical, optical, physicochemical, and catalytic activity. Alteration or modification of the band structure could lead to significant changes in these physical and chemical characteristics, therefore we introduce new mechanisms of creating novel solid state materials with interesting properties. Over the past three decades, research on band structure engineering has allowed development of various methods to modify the band structure of engineered materials. Compared to bulk counterparts, nanostructures generally exhibit higher band structure modulation capabilities due to the quantum confinement effect, prominent surface effect, and higher strain limit. In this review we will discuss various band structure engineering strategies in semiconductor nanowires and other related nanostructures, mostly focusing on metal oxide systems. Several important strategies of band structure modulation are discussed in detail, such as doping, alloying, straining, interface and core-shell nanostructuring.

Observation of Anisotropy in the Arrival Directions of Galactic Cosmic Rays at Multiple Angular Scales with IceCube

NASA Astrophysics Data System (ADS)

Abbasi, R.; Abdou, Y.; Abu-Zayyad, T.; Adams, J.; Aguilar, J. A.; Ahlers, M.; Altmann, D.; Andeen, K.; Auffenberg, J.; Bai, X.; Baker, M.; Barwick, S. W.; Bay, R.; Bazo Alba, J. L.; Beattie, K.; Beatty, J. J.; Bechet, S.; Becker, J. K.; Becker, K.-H.; Benabderrahmane, M. L.; BenZvi, S.; Berdermann, J.; Berghaus, P.; Berley, D.; Bernardini, E.; Bertrand, D.; Besson, D. Z.; Bindig, D.; Bissok, M.; Blaufuss, E.; Blumenthal, J.; Boersma, D. J.; Bohm, C.; Bose, D.; Böser, S.; Botner, O.; Brown, A. M.; Buitink, S.; Caballero-Mora, K. S.; Carson, M.; Chirkin, D.; Christy, B.; Clem, J.; Clevermann, F.; Cohen, S.; Colnard, C.; Cowen, D. F.; D'Agostino, M. V.; Danninger, M.; Daughhetee, J.; Davis, J. C.; De Clercq, C.; Demirörs, L.; Denger, T.; Depaepe, O.; Descamps, F.; Desiati, P.; de Vries-Uiterweerd, G.; DeYoung, T.; Díaz-Vélez, J. C.; Dierckxsens, M.; Dreyer, J.; Dumm, J. P.; Ehrlich, R.; Eisch, J.; Ellsworth, R. W.; Engdegård, O.; Euler, S.; Evenson, P. A.; Fadiran, O.; Fazely, A. R.; Fedynitch, A.; Feintzeig, J.; Feusels, T.; Filimonov, K.; Finley, C.; Fischer-Wasels, T.; Foerster, M. M.; Fox, B. D.; Franckowiak, A.; Franke, R.; Gaisser, T. K.; Gallagher, J.; Gerhardt, L.; Gladstone, L.; Glüsenkamp, T.; Goldschmidt, A.; Goodman, J. A.; Gora, D.; Grant, D.; Griesel, T.; Groß, A.; Grullon, S.; Gurtner, M.; Ha, C.; Hajismail, A.; Hallgren, A.; Halzen, F.; Han, K.; Hanson, K.; Heinen, D.; Helbing, K.; Herquet, P.; Hickford, S.; Hill, G. C.; Hoffman, K. D.; Homeier, A.; Hoshina, K.; Hubert, D.; Huelsnitz, W.; Hülß, J.-P.; Hulth, P. O.; Hultqvist, K.; Hussain, S.; Ishihara, A.; Jacobsen, J.; Japaridze, G. S.; Johansson, H.; Joseph, J. M.; Kampert, K.-H.; Kappes, A.; Karg, T.; Karle, A.; Kenny, P.; Kiryluk, J.; Kislat, F.; Klein, S. R.; Köhne, J.-H.; Kohnen, G.; Kolanoski, H.; Köpke, L.; Kopper, S.; Koskinen, D. J.; Kowalski, M.; Kowarik, T.; Krasberg, M.; Krings, T.; Kroll, G.; Kurahashi, N.; Kuwabara, T.; Labare, M.; Lafebre, S.; Laihem, K.; Landsman, H.; Larson, M. J.; Lauer, R.; Lünemann, J.; Madajczyk, B.; Madsen, J.; Majumdar, P.; Marotta, A.; Maruyama, R.; Mase, K.; Matis, H. S.; Meagher, K.; Merck, M.; Mészáros, P.; Meures, T.; Middell, E.; Milke, N.; Miller, J.; Montaruli, T.; Morse, R.; Movit, S. M.; Nahnhauer, R.; Nam, J. W.; Naumann, U.; Nießen, P.; Nygren, D. R.; Odrowski, S.; Olivas, A.; Olivo, M.; O'Murchadha, A.; Ono, M.; Panknin, S.; Paul, L.; Pérez de los Heros, C.; Petrovic, J.; Piegsa, A.; Pieloth, D.; Porrata, R.; Posselt, J.; Price, C. C.; Price, P. B.; Przybylski, G. T.; Rawlins, K.; Redl, P.; Resconi, E.; Rhode, W.; Ribordy, M.; Rizzo, A.; Rodrigues, J. P.; Roth, P.; Rothmaier, F.; Rott, C.; Ruhe, T.; Rutledge, D.; Ruzybayev, B.; Ryckbosch, D.; Sander, H.-G.; Santander, M.; Sarkar, S.; Schatto, K.; Schmidt, T.; Schönwald, A.; Schukraft, A.; Schultes, A.; Schulz, O.; Schunck, M.; Seckel, D.; Semburg, B.; Seo, S. H.; Sestayo, Y.; Seunarine, S.; Silvestri, A.; Slipak, A.; Spiczak, G. M.; Spiering, C.; Stamatikos, M.; Stanev, T.; Stephens, G.; Stezelberger, T.; Stokstad, R. G.; Stössl, A.; Stoyanov, S.; Strahler, E. A.; Straszheim, T.; Stür, M.; Sullivan, G. W.; Swillens, Q.; Taavola, H.; Taboada, I.; Tamburro, A.; Tepe, A.; Ter-Antonyan, S.; Tilav, S.; Toale, P. A.; Toscano, S.; Tosi, D.; Turčan, D.; van Eijndhoven, N.; Vandenbroucke, J.; Van Overloop, A.; van Santen, J.; Vehring, M.; Voge, M.; Walck, C.; Waldenmaier, T.; Wallraff, M.; Walter, M.; Weaver, Ch.; Wendt, C.; Westerhoff, S.; Whitehorn, N.; Wiebe, K.; Wiebusch, C. H.; Williams, D. R.; Wischnewski, R.; Wissing, H.; Wolf, M.; Wood, T. R.; Woschnagg, K.; Xu, C.; Xu, X. W.; Yodh, G.; Yoshida, S.; Zarzhitsky, P.; Zoll, M.; IceCube Collaboration

2011-10-01

Between 2009 May and 2010 May, the IceCube neutrino detector at the South Pole recorded 32 billion muons generated in air showers produced by cosmic rays with a median energy of 20 TeV. With a data set of this size, it is possible to probe the southern sky for per-mil anisotropy on all angular scales in the arrival direction distribution of cosmic rays. Applying a power spectrum analysis to the relative intensity map of the cosmic ray flux in the southern hemisphere, we show that the arrival direction distribution is not isotropic, but shows significant structure on several angular scales. In addition to previously reported large-scale structure in the form of a strong dipole and quadrupole, the data show small-scale structure on scales between 15° and 30°. The skymap exhibits several localized regions of significant excess and deficit in cosmic ray intensity. The relative intensity of the smaller-scale structures is about a factor of five weaker than that of the dipole and quadrupole structure. The most significant structure, an excess localized at (right ascension α = 122fdg4 and declination δ = -47fdg4), extends over at least 20° in right ascension and has a post-trials significance of 5.3σ. The origin of this anisotropy is still unknown.

Crashworthiness Design for Bionic Bumper Structures Inspired by Cattail and Bamboo.

PubMed

Xu, Tao; Liu, Nian; Yu, Zhenglei; Xu, Tianshuang; Zou, Meng

2017-01-01

Many materials in nature exhibit excellent mechanical properties. In this study, we evaluated the bionic bumper structure models by using nonlinear finite element (FE) simulations for their crashworthiness under full-size impact loading. The structure contained the structural characteristics of cattail and bamboo. The results indicated that the bionic design enhances the specific energy absorption (SEA) of the bumper. The numerical results showed that the bionic cross-beam and bionic box of the bionic bumper have a significant effect on the crashworthiness of the structure. The crush deformation of bionic cross-beam and box bumper model was reduced by 33.33%, and the total weight was reduced by 44.44%. As the energy absorption capacity under lateral impact, the bionic design can be used in the future bumper body.

Crashworthiness Design for Bionic Bumper Structures Inspired by Cattail and Bamboo

PubMed Central

Xu, Tao; Liu, Nian

2017-01-01

Many materials in nature exhibit excellent mechanical properties. In this study, we evaluated the bionic bumper structure models by using nonlinear finite element (FE) simulations for their crashworthiness under full-size impact loading. The structure contained the structural characteristics of cattail and bamboo. The results indicated that the bionic design enhances the specific energy absorption (SEA) of the bumper. The numerical results showed that the bionic cross-beam and bionic box of the bionic bumper have a significant effect on the crashworthiness of the structure. The crush deformation of bionic cross-beam and box bumper model was reduced by 33.33%, and the total weight was reduced by 44.44%. As the energy absorption capacity under lateral impact, the bionic design can be used in the future bumper body. PMID:29118571

Disrupted topological organization of structural networks revealed by probabilistic diffusion tractography in Tourette syndrome children.

PubMed

Wen, Hongwei; Liu, Yue; Rekik, Islem; Wang, Shengpei; Zhang, Jishui; Zhang, Yue; Peng, Yun; He, Huiguang

2017-08-01

Tourette syndrome (TS) is a childhood-onset neurobehavioral disorder. Although previous TS studies revealed structural abnormalities in distinct corticobasal ganglia circuits, the topological alterations of the whole-brain white matter (WM) structural networks remain poorly understood. Here, we used diffusion MRI probabilistic tractography and graph theoretical analysis to investigate the topological organization of WM networks in 44 drug-naive TS children and 41 age- and gender-matched healthy children. The WM networks were constructed by estimating inter-regional connectivity probability and the topological properties were characterized using graph theory. We found that both TS and control groups showed an efficient small-world organization in WM networks. However, compared to controls, TS children exhibited decreased global and local efficiency, increased shortest path length and small worldness, indicating a disrupted balance between local specialization and global integration in structural networks. Although both TS and control groups showed highly similar hub distributions, TS children exhibited significant decreased nodal efficiency, mainly distributed in the default mode, language, visual, and sensorimotor systems. Furthermore, two separate networks showing significantly decreased connectivity in TS group were identified using network-based statistical (NBS) analysis, primarily composed of the parieto-occipital cortex, precuneus, and paracentral lobule. Importantly, we combined support vector machine and multiple kernel learning frameworks to fuse multiple levels of network topological features for classification of individuals, achieving high accuracy of 86.47%. Together, our study revealed the disrupted topological organization of structural networks related to pathophysiology of TS, and the discriminative topological features for classification are potential quantitative neuroimaging biomarkers for clinical TS diagnosis. Hum Brain Mapp 38:3988-4008, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Genetic population structure and relatedness in the narrow-striped mongoose (Mungotictis decemlineata), a social Malagasy carnivore with sexual segregation.

PubMed

Schneider, Tilman C; Kappeler, Peter M; Pozzi, Luca

2016-06-01

Information on the genetic structure of animal populations can allow inferences about mechanisms shaping their social organization, dispersal, and mating system. The mongooses (Herpestidae) include some of the best-studied mammalian systems in this respect, but much less is known about their closest relatives, the Malagasy carnivores (Eupleridae), even though some of them exhibit unusual association patterns. We investigated the genetic structure of the Malagasy narrow-striped mongoose ( Mungotictis decemlineata ), a small forest-dwelling gregarious carnivore exhibiting sexual segregation. Based on mtDNA and microsatellite analyses, we determined population-wide haplotype structure and sex-specific and within-group relatedness. Furthermore, we analyzed parentage and sibship relationships and the level of reproductive skew. We found a matrilinear population structure, with several neighboring female units sharing identical haplotypes. Within-group female relatedness was significantly higher than expected by chance in the majority of units. Haplotype diversity of males was significantly higher than in females, indicating male-biased dispersal. Relatedness within the majority of male associations did not differ from random, not proving any kin-directed benefits of male sociality in this case. We found indications for a mildly promiscuous mating system without monopolization of females by males, and low levels of reproductive skew in both sexes based on parentages of emergent young. Low relatedness within breeding pairs confirmed immigration by males and suggested similarities with patterns in social mongooses, providing a starting point for further investigations of mate choice and female control of reproduction and the connected behavioral mechanisms. Our study contributes to the understanding of the determinants of male sociality in carnivores as well as the mechanisms of female competition in species with small social units.

Obese Patients With a Binge Eating Disorder Have an Unfavorable Metabolic and Inflammatory Profile.

PubMed

Succurro, Elena; Segura-Garcia, Cristina; Ruffo, Mariafrancesca; Caroleo, Mariarita; Rania, Marianna; Aloi, Matteo; De Fazio, Pasquale; Sesti, Giorgio; Arturi, Franco

2015-12-01

To evaluate whether obese patients with a binge eating disorder (BED) have an altered metabolic and inflammatory profile related to their eating behaviors compared with non-BED obese.A total of 115 White obese patients consecutively recruited underwent biochemical, anthropometrical evaluation, and a 75-g oral glucose tolerance test. Patients answered the Binge Eating Scale and were interviewed by a psychiatrist. The patients were subsequently divided into 2 groups according to diagnosis: non-BED obese (n = 85) and BED obese (n = 30). Structural equation modeling analysis was performed to elucidate the relation between eating behaviors and metabolic and inflammatory profile.BED obese exhibited significantly higher percentages of altered eating behaviors, body mass index (P < 0.001), waist circumference (P < 0.01), fat mass (P < 0.001), and a lower lean mass (P < 0.001) when compared with non-BED obese. Binge eating disorder obese also had a worse metabolic and inflammatory profile, exhibiting significantly lower high-density lipoprotein cholesterol levels (P < 0.05), and higher levels of glycated hemoglobin (P < 0.01), uric acid (P < 0.05), erythrocyte sedimentation rate (P < 0.001), high-sensitive C-reactive protein (P < 0.01), and white blood cell counts (P < 0.01). Higher fasting insulin (P < 0.01) and higher insulin resistance (P < 0.01), assessed by homeostasis model assessment index and visceral adiposity index (P < 0.001), were observed among BED obese. All differences remained significant after adjusting for body mass index. No significant differences in fasting plasma glucose or 2-hour postchallenge plasma glucose were found. Structural equation modeling analysis confirmed the relation between the altered eating behaviors of BED and the metabolic and inflammatory profile.Binge eating disorder obese exhibited an unfavorable metabolic and inflammatory profile, which is related to their characteristic eating habits.

Obese Patients With a Binge Eating Disorder Have an Unfavorable Metabolic and Inflammatory Profile

PubMed Central

Succurro, Elena; Segura-Garcia, Cristina; Ruffo, Mariafrancesca; Caroleo, Mariarita; Rania, Marianna; Aloi, Matteo; De Fazio, Pasquale; Sesti, Giorgio; Arturi, Franco

2015-01-01

Abstract To evaluate whether obese patients with a binge eating disorder (BED) have an altered metabolic and inflammatory profile related to their eating behaviors compared with non-BED obese. A total of 115 White obese patients consecutively recruited underwent biochemical, anthropometrical evaluation, and a 75-g oral glucose tolerance test. Patients answered the Binge Eating Scale and were interviewed by a psychiatrist. The patients were subsequently divided into 2 groups according to diagnosis: non-BED obese (n = 85) and BED obese (n = 30). Structural equation modeling analysis was performed to elucidate the relation between eating behaviors and metabolic and inflammatory profile. BED obese exhibited significantly higher percentages of altered eating behaviors, body mass index (P < 0.001), waist circumference (P < 0.01), fat mass (P < 0.001), and a lower lean mass (P < 0.001) when compared with non-BED obese. Binge eating disorder obese also had a worse metabolic and inflammatory profile, exhibiting significantly lower high-density lipoprotein cholesterol levels (P < 0.05), and higher levels of glycated hemoglobin (P < 0.01), uric acid (P < 0.05), erythrocyte sedimentation rate (P < 0.001), high-sensitive C-reactive protein (P < 0.01), and white blood cell counts (P < 0.01). Higher fasting insulin (P < 0.01) and higher insulin resistance (P < 0.01), assessed by homeostasis model assessment index and visceral adiposity index (P < 0.001), were observed among BED obese. All differences remained significant after adjusting for body mass index. No significant differences in fasting plasma glucose or 2-hour postchallenge plasma glucose were found. Structural equation modeling analysis confirmed the relation between the altered eating behaviors of BED and the metabolic and inflammatory profile. Binge eating disorder obese exhibited an unfavorable metabolic and inflammatory profile, which is related to their characteristic eating habits. PMID:26717356

The spatial and temporal evolution of carbon emissions drivers in the United States

NASA Astrophysics Data System (ADS)

Baldwin, James George

This dissertation addresses two important environmental policy questions: how has the structure of the drivers of U.S. carbon dioxide ( CO2) emissions evolved through time and across regions, and what role have economic forces played in shaping these factors? First, prior research on the drivers of CO2 emissions at the state level and the use of index number decomposition techniques to analyze CO2's fossil-fuel precursors are reviewed. Second, a novel Kaya identity decomposition method is developed which partitions the historical series of energy-related emissions into five factors: the CO2 intensity of energy use, the energy intensity of economic activity, changes in economic structure, affluence and population growth. While aggregate growth in emissions has been driven almost entirely by increases in population and affluence, the results demonstrate significant regional heterogeneity. Third, the influences of affluence and population, along with regional energy prices, investment patterns, and weather, on CO 2 intensity, energy intensity and structural change, are analyzed statistically. The contributions of carbon-intensive fuels exhibit significant but inelastic relationships to income, capital availability and fossil fuel prices. Contributions due to energy intensity exhibit significant and negative relationships to all factors examined excluding petroleum and electricity prices. Energy intensity is inelastic in the short run but elastic in the long run to income, weather, petroleum and coal prices. Contributions due to economic structure are significant but inelastic to income, cool weather and petroleum price. The contribution of energy intensity to emissions growth is more strongly influenced by increases in personal income than by value added, suggesting that consumption rather than production plays the more important role. Controlling for the scale of economic activity, larger populations, faster rates of investment and greater capital availability are associated with lower energy intensity. The low elasticity of carbon intensity, energy intensity and structural change with respect to trends in the economy imply a need for a fundamental shift in U.S. energy use and production. The implication of these findings is that current economic and demographic trends are unlikely to lead to declines in emissions, and that policy intervention will be required to achieve emissions reductions.

Hyperascyrones A-H, polyprenylated spirocyclic acylphloroglucinol derivatives from Hypericum ascyron Linn.

PubMed

Zhu, Hucheng; Chen, Chunmei; Liu, Junjun; Sun, Bin; Wei, Guangzheng; Li, Yan; Zhang, Jinwen; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui

2015-07-01

Eight polyprenylated spirocyclic acylphloroglucinol derivatives (PSAPs), hyperascyrones A-H, were isolated from the aerial parts of Hypericum ascyron Linn., together with six known analogs. Their structures were established by spectroscopic analyses including HRESIMS, 1D and 2D NMR, and their absolute configurations were determined by electronic circular dichroism calculations (ECD, Gaussian 09). Structures of previously reported tomoeones C, D, G, and H were revised. Hyperascyrones A-H were evaluated for their cytotoxic and anti-HIV-1 activities, with hyperascyrones C and G exhibiting significant cytotoxicities against HL-60 cell lines with IC50 values of 4.22 and 8.36 μM, respectively. In addition, the chemotaxonomic significance of these compounds was also discussed. Copyright © 2015 Elsevier Ltd. All rights reserved.

Structure-property relations in sputter deposited epitaxial (1-x)Pb(Mg1/3Nb2/3)O3- xPbTiO3 thin films

NASA Astrophysics Data System (ADS)

Frederick, Joshua C.

Lead-based ferroelectric materials are of significant technological importance for sensing and actuation due to their high piezoelectric performance (i.e., the ability to convert an electrical signal to mechanical displacement, and vice versa). Traditionally, bulk ceramic or single crystals materials have filled these roles; however, emerging technologies stand to benefit by incorporating thin films to achieve miniaturization while maintaining high efficiency and sensitivity. Currently, chemical systems that have been well characterized in bulk form (e.g. Pb(Mg1/3Nb2/3)O3- xPbTiO3, or PMN-xPT) require further study to optimize both the chemistry and structure for deployment in thin film devices. Furthermore, the effect of internal electric fields is more significant at the length scales of thin films, resulting in self biases that require compensation to reveal their intrinsic dielectric response. To this end, the structure-property relations of epitaxial PMN-xPT films sputter deposited on a variety of substrates were investigated. Attention was paid to how the structure (i.e., strain state, crystal structure, domain configuration, and defects) gave rise to the ferroelectric, dielectric, and piezoelectric response. Three-dimensional visualization of the dielectric response as a simultaneous function of electric field and temperature revealed the true phase transition of the films, which was found to correspond to the strain state and defect concentration. A lead-buffered anneal process was implemented to enhance the ferroelectric and dielectric response of the films without altering their stoichiometry. It was discovered that PMN- xPT films could be domain-engineered to exhibit a mixed domain state through chemistry and substrate choice. Such films exhibited a monoclinic distortion similar to that of the bulk compositions near the morphotropic phase boundary. Finally, it was revealed that the piezoelectric response could be greatly enhanced by declamping the film from the substrate via a membrane fabrication technique. The membrane structures exhibited enhanced domain wall mobility, suggesting that domain wall motion is crucial for strong piezoelectric performance in PMN-xPT films. The findings can help guide strain- and domain-engineered relaxor ferroelectric thin films tailored for particular applications.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reimanis, Ivar; Cioabanu, Cristian

The study of materials with unusual properties offers new insight into structure-property relations as well as promise for the design of novel composites. In this spirit, the PIs seek to (1) understand fundamental mechanical phenomena in ceramics that exhibit pressure-induced phase transitions, negative coefficient of thermal expansion (CTE), and negative compressibility, and (2) explore the effect of these phenomena on the mechanical behavior of composites designed with such ceramics. The broad and long-term goal is to learn how to utilize these unusual behaviors to obtain desired mechanical responses. While the results are expected to be widely applicable to many ceramics,more » most of the present focus is on silicates, as they exhibit remarkable diversity in structure and properties. Eucryptite, a lithium aluminum silicate (LiAlSiO 4), is specifically targeted because it exhibits a pressure-induced phase transition at a sufficiently low pressure to be accessible during conventional materials processing. Thus, composites with eucryptite may be designed to exhibit a novel type of transformation toughening. The PIs have performed a combination of activities that encompass synthesis and processing to control structures, atomistic modeling to predict and understand structures, and characterization to study mechanical behavior. Several materials behavior discoveries were made. It was discovered that small amounts of Zn (as small as 0.1 percent by mol) reverse the sign of the coefficient of thermal expansion of beta-eucryptite from negative to slightly positive. The presence of Zn also significantly mitigates microcracking that occurs during thermal cycling of eucryptite. It is hypothesized that Zn disrupts the Li ordering in beta-eucryptite, thereby altering the thermal expansion behavior. A nanoindentation technique developed to characterize incipient plasticity was applied to examine the initial stages of the pressure induced phase transformation from beta to epsilon-eucryptite and show that the transformation nucleation is related to the motion of the tetrahedral units making up the structure. It was revealed that the conduction of Li ions through the structure is also dictated by the tetrahedral unit arrangement and how their positions change with temperature. The critical pressure to obtain the high pressure phase of eucryptite was shown to depend on the grain size. The structure of the high pressure phase was determined with a combination of atomistic modeling and in situ x-ray diffraction experiments.« less

Superalloy Lattice Block Structures

NASA Technical Reports Server (NTRS)

Nathal, M. V.; Whittenberger, J. D.; Hebsur, M. G.; Kantzos, P. T.; Krause, D. L.

2004-01-01

Initial investigations of investment cast superalloy lattice block suggest that this technology will yield a low cost approach to utilize the high temperature strength and environmental resistance of superalloys in lightweight, damage tolerant structural configurations. Work to date has demonstrated that relatively large superalloy lattice block panels can be successfully investment cast from both IN-718 and Mar-M247. These castings exhibited mechanical properties consistent with the strength of the same superalloys measured from more conventional castings. The lattice block structure also accommodates significant deformation without failure, and is defect tolerant in fatigue. The potential of lattice block structures opens new opportunities for the use of superalloys in future generations of aircraft applications that demand strength and environmental resistance at elevated temperatures along with low weight.

Synthesis, photophysical, and electrochemical properties of wide band gap tetraphenylsilane-carbazole derivatives: Effect of the substitution position and naphthalene side chain

NASA Astrophysics Data System (ADS)

Ho, Kar Wei; Ariffin, A.

2016-12-01

Four tetraphenylsilane-carbazole derivatives with wide bandgaps (3.38-3.55 eV) were synthesized. The effects of the substitution position and of the presence of naphthalene groups on the photophysical, electrochemical and thermal properties were investigated. The derivatives exhibited maximum absorption peaks ranging from 293 to 304 nm and maximum emission peaks ranging from 347 to 386 nm. Changing the carbazole substitution position on the tetraphenylsilane did not significantly change the photophysical and electrochemical properties. However, p-substituted compounds exhibited higher glass transition temperatures than m-substituted compounds. Naphthalene groups with bulky structures had extended the conjugation lengths that red-shifted both the absorption and emission spectra. The LUMO level was decreased, which reduced the optical bandgap and triplet energy level. However, the naphthalene groups significantly improved the thermal stability by increasing the glass transition temperature of the compounds.

Comparison of hand laid-up tape and filament wound composite cylinders and panels with and without impact damage

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.; Lopez, Osvaldo F.

1991-01-01

Experimentally determined axial compressive failure loads, strains and failure modes of composite flat panels and cylinders are presented. A comparison of two types of filament wound flat graphite-epoxy panels indicates that the winding pattern can influence structural response. A comparison of hand laid-up tape and filament wound composite cylinders indicates that fabrication method may not significantly influence the failure mode or average failure strain of thick-walled (radius-to-thickness ratio less than 15) graphite-epoxy cylinders. The interaction of manufacturing-induced features (fiber cross-overs) and low-speed impact damage for graphite-epoxy specimens is also presented. Filament would flat panels with many fiber cross-overs exhibited lower failure strains than filament wound panels without fiber cross-overs for all impact speeds examined. Graphite-thermoplastic cylinders exhibited a significantly different failure mode from the graphite-epoxy cylinders.

Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm.

PubMed

Yu, Isseki; Mori, Takaharu; Ando, Tadashi; Harada, Ryuhei; Jung, Jaewoon; Sugita, Yuji; Feig, Michael

2016-11-01

Biological macromolecules function in highly crowded cellular environments. The structure and dynamics of proteins and nucleic acids are well characterized in vitro, but in vivo crowding effects remain unclear. Using molecular dynamics simulations of a comprehensive atomistic model cytoplasm we found that protein-protein interactions may destabilize native protein structures, whereas metabolite interactions may induce more compact states due to electrostatic screening. Protein-protein interactions also resulted in significant variations in reduced macromolecular diffusion under crowded conditions, while metabolites exhibited significant two-dimensional surface diffusion and altered protein-ligand binding that may reduce the effective concentration of metabolites and ligands in vivo. Metabolic enzymes showed weak non-specific association in cellular environments attributed to solvation and entropic effects. These effects are expected to have broad implications for the in vivo functioning of biomolecules. This work is a first step towards physically realistic in silico whole-cell models that connect molecular with cellular biology.

Impact of solvent mixture on iron nanoparticles generated by laser ablation

NASA Astrophysics Data System (ADS)

Chakif, M.; Prymak, O.; Slota, M.; Heintze, E.; Gurevich, E. L.; Esen, C.; Bogani, L.; Epple, M.; Ostendorf, A.

2014-03-01

The present work reveals the structural and magnetic properties of iron oxide (FexOy) nanoparticles (NPs) prepared by femtosecond laser ablation. The FexOy-NPs were produced in solutions consisting of different ratios of water and acetone. Laser ablation in water yields agglomerates and that in acetone yields chain structures whereas that in water/acetone show a mixture of both. We observe significant fabrication dependent properties such as different crystallinities and magnetic behaviors. The structural characterization shows a change from iron (Fe) to a FexOy state of the NPs which depends on the solution composition. Furthermore, transmission electron microscopy measurements exhibit a broad particle size distribution in all samples but with significant differences in the mean sizes. Using magnetic measurements we show that nanoparticles fabricated in pure acetone have lower coercive fields which come along with a smaller mean particle size and therefore increasing superparamagnetic behavior.

Engineering Interface Structures and Thermal Stabilities via SPD Processing in Bulk Nanostructured Metals

DOE PAGES

Zheng, Shijian; Carpenter, John S.; McCabe, Rodney J.; ...

2014-02-27

Nanostructured metals achieve extraordinary strength but suffer from low thermal stability, both a consequence of a high fraction of interfaces. Overcoming this tradeoff relies on making the interfaces themselves thermally stable. In this paper, we show that the atomic structures of bi-metal interfaces in macroscale nanomaterials suitable for engineering structures can be significantly altered via changing the severe plastic deformation (SPD) processing pathway. Two types of interfaces are formed, both exhibiting a regular atomic structure and providing for excellent thermal stability, up to more than half the melting temperature of one of the constituents. Most importantly, the thermal stability ofmore » one is found to be significantly better than the other, indicating the exciting potential to control and optimize macroscale robustness via atomic-scale bimetal interface tuning. As a result, we demonstrate an innovative way to engineer pristine bimetal interfaces for a new class of simultaneously strong and thermally stable materials.« less

Redox-dependent structure change and hyperfine nuclear magnetic resonance shifts in cytochrome c

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Yiquing; Roder, H.; Englander, S.W.

1990-04-10

Proton nuclear magnetic resonance assignments for reduced and oxidized equine cytochrome c show that many individual protons exhibit different chemical shifts in the two protein forms, reflecting diamagnetic shift effects due to structure change, and in addition contact and pseudocontact shifts that occur only in the paramagnetic oxidized form. To evaluate the chemical shift differences for structure change, the authors removed the pseudocontact shift contribution by a calculation based on knowledge of the electron spin g tensor. The g-tensor calculation, when repeated using only 12 available C{sub {alpha}}H proton resonances for cytochrom c from tuna, proved to be remarkably stable.more » The derived g tensor was then used together with spatial coordinates for the oxidized form to calculate the pseudocontact shift contribution to proton resonances at 400 identifiable sites throughout the protein, so that the redox-dependent chemical shift discrepancy, could be evaluated. Large residual changes in chemical shift define the Fermi contact shifts, where are found as expected to be limited to the immediate covalent structure of the heme and its ligands and to be asymmetrically distributed over the heme. The chemical shift discrepancies observed appear in the main to reflect structure-dependent diamagnetic shifts rather than hyperfine effects due to displacements in the pseudocontact shift field. Although 51 protons in 29 different residues exhibit significant chemical shift changes, the general impressions one of small structural adjustments to redox-dependent strain rather than sizeable structural displacements or rearrangements.« less

Intra-plant floral variation in Cleome viscosa L. and its possible significance in breeding system.

PubMed

Saroop, Shveta; Kaul, Veenu

2015-07-01

Cleome viscosa L., an annual rainy season weed, is cosmopolitan in distribution. Two naturally growing populations of C. viscosa from Jammu, J & K, India have been studied for floral variation at an intra-plant level and its possible role in its life cycle. Plants of both the populations bear flowers which exhibit tremendous intra-plant variation in size (large and small) and sex (hermaphrodite, staminate and pistillate). The average number of flowers per plant varied significantly and so did their structural and functional details. Greater propensity, however, was towards hermaphroditism at both plant and flower levels. The large and small sized flowers differed in their morphology and reproductive features; the former were significantly larger than the latter. Anthesis, anther dehiscence and stigma receptivity were coupled in all flower types. This functional aspect along with the structural proximity between stamens at two lengths and pistil further facilitated self-pollination. However, conspicuous floral display attracted diverse pollinator fauna (Apis dorsata, Halictus albescens, Nomia curvipes and N. elliotii) which in turn mediated cross pollination. Nevertheless, each floral type contributed towards plant's fitness in its own way. Hermaphrodite flowers exhibited both self and cross pollination and assured survival by setting fruits and seeds with the large sized counterparts more productive. All these floral variations seemed to impart flexibility to the pollination system and provide fitness over the short flowering season.

Significant demographic and fine-scale genetic structure in expanding and senescing populations of the terrestrial orchid Cymbidium goeringii (Orchidaceae).

PubMed

Chung, Mi Yoon; Nason, John D; Chung, Myong Gi

2011-12-01

Fine-scale genetic structure (FSGS) in plants is influenced by variation in spatial and temporal demographic processes. To determine how demographic structure and FSGS change with stages of population succession, we studied replicate expanding and senescing populations of the Asian terrestrial orchid Cymbidium goeringii. We used spatial autocorrelation methods (O-ring and kinship statistics) to quantify spatial demographic structure and FSGS in two expanding and two senescing populations, also measuring genetic diversity and inbreeding in each. All populations exhibited significant aggregation of individuals and FSGS at short spatial scales. In expanding populations, this finding was associated with high recruitment rates, suggesting restricted seed dispersal. In senescing populations, recruitment was minimal, suggesting alternative mechanisms of aggregation, perhaps including spatial associations with mycorrhizal fungi. All populations had significant evidence of genetic bottlenecks, and inbreeding levels were consistently high. Our results indicate that different successional stages can generate similar patterns of spatial demographic and genetic structure, but as a consequence of different processes. These results contrast with the only other study of senescence effects on population genetic structure in an herbaceous perennial, which found little to no FSGS in senescing populations. With the exception of populations subject to mass collection by orchid sellers, significant FSGS is characteristic of the 16 terrestrial orchid species examined to date. From a conservation perspective, this result suggests that inference of orchid population history will benefit from analyses of both FSGS and demographic structure in combination with other ecological field data.

MgO-templated carbon as a negative electrode material for Na-ion capacitors

NASA Astrophysics Data System (ADS)

Kado, Yuya; Soneda, Yasushi

2016-12-01

In this study, MgO-templated carbon with different pore structures was investigated as a negative electrode material for Na-ion capacitors. With increasing the Brunauer-Emmett-Teller surface area, the irreversible capacity increased, and the coulombic efficiency of the 1st cycle decreased because of the formation of solid electrolyte interface layers. MgO-templated carbon annealed at 1000 °C exhibited the highest capacity and best rate performance, suggesting that an appropriate balance between surface area and crystallinity is imperative for fast Na-ion storage, attributed to the storage mechanism: combination of non-faradaic electric double-layer capacitance and faradaic Na intercalation in the carbon layers. Finally, a Na-ion capacitor cell using MgO-templated carbon and activated carbon as the negative and positive electrodes, respectively, exhibited an energy density at high power density significantly greater than that exhibited by the cell using a commercial hard carbon negative electrode.

Microwave-assisted synthesis and tyrosinase inhibitory activity of chalcone derivatives.

PubMed

Liu, Jinbing; Chen, Changhong; Wu, Fengyan; Zhao, Liangzhong

2013-07-01

A series of chalcones and their derivatives were synthesized, and their inhibitory effects on the diphenolase activity of mushroom tyrosinase were evaluated. The results showed that some of the synthesized compounds exhibited significant inhibitory activity, and four compounds exhibited more potent tyrosinase inhibitory activity than the reference standard inhibitor kojic acid (5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one). Specifically, 1-(-1-(4-methoxyphen- yl)-3-phenylallylidene)thiosemicarbazide (18) exhibited the most potent tyrosinase inhibitory activity with IC₅₀ value of 0.274 μM. The inhibition mechanism analysis of 1-(-1-(2,4-dihydroxyphenyl)-3-phenylallylidene) thiosemicarbazide (16) and 1-(-1-(4-methoxyphenyl)-3-phenylallylidene) thiosemicarbazide (18) demonstrated that the inhibitory effects of the two compounds on the tyrosinase were irreversible. Preliminary structure activity relationships' analysis suggested that further development of such compounds might be of interest. © 2013 John Wiley & Sons A/S.

Superelastic and pH-Responsive Degradable Dendrimer Cryogels Prepared by Cryo-aza-Michael Addition Reaction.

PubMed

Wang, Juan; Yang, Hu

2018-05-08

Dendrimers exhibit super atomistic features by virtue of their well-defined discrete quantized nanoscale structures. Here, we show that hyperbranched amine-terminated polyamidoamine (PAMAM) dendrimer G4.0 reacts with linear polyethylene glycol (PEG) diacrylate (575 g/mol) via the aza-Michael addition reaction at a subzero temperature (-20 °C), namely cryo-aza-Michael addition, to form a macroporous superelastic network, i.e., dendrimer cryogel. Dendrimer cryogels exhibit biologically relevant Young's modulus, high compression elasticity and super resilience at ambient temperature. Furthermore, the dendrimer cryogels exhibit excellent rebound performance and do not show significant stress relaxation under cyclic deformation over a wide temperature range (-80 to 100 °C). The obtained dendrimer cryogels are stable at acidic pH but degrade quickly at physiological pH through self-triggered degradation. Taken together, dendrimer cryogels represent a new class of scaffolds with properties suitable for biomedical applications.

Fixation of Bovine Pericardium-Based Tissue Biomaterial with Irreversible Chemistry Improves Biochemical and Biomechanical Properties

PubMed Central

Tam, H.; Zhang, W.; Infante, D.; Parchment, N.; Sacks, M.

2018-01-01

Bioprosthetic heart valves (BHVs), derived from glutaraldehyde crosslinked (GLUT) porcine aortic valve leaflets or bovine pericardium (BP), are used to replace defective heart valves. However, valve failure can occur within 12–15 years due to calcification and/or progressive structural degeneration. We present a novel fabrication method that utilizes carbodiimide, neomycin trisulfate, and pentagalloyl glucose crosslinking chemistry (TRI) to better stabilize the extracellular matrix of BP. We demonstrate that TRI-treated BP is more compliant than GLUT-treated BP. GLUT-treated BP exhibited permanent geometric deformation and complete alteration of apparent mechanical properties when subjected to induced static strain. TRI BP, on the other hand, did not exhibit such permanent geometric deformations or significant alterations of apparent mechanical properties. TRI BP also exhibited better resistance to enzymatic degradation in vitro and calcification in vivo when implanted subcutaneously in juvenile rats for up to 30 days. PMID:28213846

Light trapping structures in wing scales of butterfly Trogonoptera brookiana.

PubMed

Han, Zhiwu; Niu, Shichao; Shang, Chunhui; Liu, Zhenning; Ren, Luquan

2012-04-28

The fine optical structures in wing scales of Trogonoptera brookiana, a tropical butterfly exhibiting efficient light trapping effect, were carefully examined and the reflectivity was measured using reflectance spectrometry. The optimized 3D configuration of the coupling structure was determined using SEM and TEM data, and the light trapping mechanism of butterfly scales was studied. It is found that the front and back sides of butterfly wings possess different light trapping structures, but both can significantly increase the optical path and thus result in almost total absorption of all incident light. An optical model was created to check the properties of this light trapping structure. The simulated reflectance spectra are in concordance with the experimental ones. The results reliably confirm that these structures induce efficient light trapping effect. This functional "biomimetic structure" would have a potential value in wide engineering and optical applications. This journal is © The Royal Society of Chemistry 2012

New cytotoxic and anti-inflammatory compounds isolated from Morus alba L.

PubMed

Qin, Jing; Fan, Min; He, Juan; Wu, Xing-De; Peng, Li-Yan; Su, Jia; Cheng, Xiao; Li, Yan; Kong, Ling-Mei; Li, Rong-Tao; Zhao, Qin-Shi

2015-01-01

Six Diels-Alder adducts (1-6) and nine prenylated flavanones (7-15) were isolated from the root bark of Morus alba L. Among them, soroceal B (1) and sanggenol Q (7) were new compounds. Their structures were elucidated on the basis of extensive spectroscopic methods, including 1D and 2D NMR techniques. Compounds 1-3, 9, 10, 12, 13 and 15 exhibited cytotoxic activity against five human tumour lines and compound 2 inhibited significantly selective cytotoxic activities towards HL-60 and AGS cells with IC50 of 3.4 and 3.6 μM. Compounds 3, 5, 9 and 12 exhibited moderate inhibitory activity against nitric oxide production in LPS-activated RAW264.7.

Cytotoxic garcimultiflorones K-Q, lavandulyl benzophenones from Garcinia multiflora branches.

PubMed

Wang, Zhao-Quan; Li, Xing-Yu; Hu, Dong-Bao; Long, Chun-Lin

2018-08-01

Seven undescribed lavandulyl benzophenones garcimultiflorones K-Q, and fourteen known compounds were isolated from the CHCl 3 soluble fraction of 95% EtOH extract of Garcinia multiflora branches. Their structures and absolute configurations were determined by spectroscopic techniques including NMR spectroscopy, MS analysis, and ECD calculations. Seven isolated compounds expect for garcimultiflorone L and garcimultiflorone O exhibited cytotoxic activities in vitro against five cancer cell lines (HL-60, A549, SMMC-7721, MCF-7, and SW480). It is worth mentioning that garcimultiflorone Q exhibited most significant cytotoxicities against five cancer cell lines with IC 50 values ranging from 3.07-12.56 μM. Copyright © 2018 Elsevier Ltd. All rights reserved.

Balancing Performance and Sustainability in Next-Generation PMR Technologies for OMC Structures

DTIC Science & Technology

2016-05-26

Additionally, the reactive intermediates can form an elimination product that conjugates with glutathione, thereby depleting the concentration of...thermomechanical properties of polyimides, but due to its truncated molecular weight, is processable, thus enabling the fabrication of fiber reinforced polymer ...degradation of the remaining polymer . The oligomers possessing anilines with a higher degree of aliphatic character (PMR-1, -6, and -7), exhibit significant

A Numerical and Theoretical Study of Seismic Wave Diffraction in Complex Geologic Structure

DTIC Science & Technology

1989-04-14

element methods for analyzing linear and nonlinear seismic effects in the surficial geologies relevant to several Air Force missions. The second...exact solution evaluated here indicates that edge-diffracted seismic wave fields calculated by discrete numerical methods probably exhibits significant...study is to demonstrate and validate some discrete numerical methods essential for analyzing linear and nonlinear seismic effects in the surficial

Electronic structure of BaNi2As2

NASA Astrophysics Data System (ADS)

Zhou, Bo; Xu, Min; Zhang, Yan; Xu, Gang; He, Cheng; Yang, L. X.; Chen, Fei; Xie, B. P.; Cui, Xiao-Yu; Arita, Masashi; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki; Dai, X.; Feng, D. L.

2011-01-01

BaNi2As2, with a first-order phase transition around 131 K, is studied by the angle-resolved photoemission spectroscopy. The measured electronic structure is compared to the local-density approximation calculations, revealing similar large electronlike bands around M¯ and differences along Γ¯-X¯. We further show that the electronic structure of BaNi2As2 is distinct from that of the sibling iron pnictides. Particularly, there is no signature of band folding, indicating no collinear spin-density-wave-related magnetic ordering. Moreover, across the strong first-order phase transition, the band shift exhibits a hysteresis, which is directly related to the significant lattice distortion in BaNi2As2.

Electro-osmosis of non-Newtonian fluids in porous media using lattice Poisson-Boltzmann method.

PubMed

Chen, Simeng; He, Xinting; Bertola, Volfango; Wang, Moran

2014-12-15

Electro-osmosis in porous media has many important applications in various areas such as oil and gas exploitation and biomedical detection. Very often, fluids relevant to these applications are non-Newtonian because of the shear-rate dependent viscosity. The purpose of this study was to investigate the behaviors and physical mechanism of electro-osmosis of non-Newtonian fluids in porous media. Model porous microstructures (granular, fibrous, and network) were created by a random generation-growth method. The nonlinear governing equations of electro-kinetic transport for a power-law fluid were solved by the lattice Poisson-Boltzmann method (LPBM). The model results indicate that: (i) the electro-osmosis of non-Newtonian fluids exhibits distinct nonlinear behaviors compared to that of Newtonian fluids; (ii) when the bulk ion concentration or zeta potential is high enough, shear-thinning fluids exhibit higher electro-osmotic permeability, while shear-thickening fluids lead to the higher electro-osmotic permeability for very low bulk ion concentration or zeta potential; (iii) the effect of the porous medium structure depends significantly on the constitutive parameters: for fluids with large constitutive coefficients strongly dependent on the power-law index, the network structure shows the highest electro-osmotic permeability while the granular structure exhibits the lowest permeability on the entire range of power law indices considered; when the dependence of the constitutive coefficient on the power law index is weaker, different behaviors can be observed especially in case of strong shear thinning. Copyright © 2014 Elsevier Inc. All rights reserved.

Physangulidines A, B, and C: three new antiproliferative withanolides from Physalis angulata L.

PubMed

Jin, Zhuang; Mashuta, Mark S; Stolowich, Neal J; Vaisberg, Abraham J; Stivers, Nicole S; Bates, Paula J; Lewis, Walter H; Hammond, Gerald B

2012-03-02

Bioassay-directed fractionation of the whole plant of Physalis angulata L. afforded three new antiproliferative withanolides with an unusual carbon framework: physangulidines A (1), B (2), and C (3). Structures of the three isomeric withanolides were determined by a combination of HRMS, NMR spectroscopic, and X-ray crystallographic methods. Each has shown significant antiproliferative activity against DU145 prostate cancer cells. Physangulidine A (1) was further tested against a wide range of additional cancer cell lines and found to exhibit significant antiproliferative activity. © 2012 American Chemical Society

Disruptions of brain structural network in end-stage renal disease patients with long-term hemodialysis and normal-appearing brain tissues.

PubMed

Chou, Ming-Chung; Ko, Chih-Hung; Chang, Jer-Ming; Hsieh, Tsyh-Jyi

2018-05-04

End-stage renal disease (ESRD) patients on hemodialysis were demonstrated to exhibit silent and invisible white-matter alterations which would likely lead to disruptions of brain structural networks. Therefore, the purpose of this study was to investigate the disruptions of brain structural network in ESRD patients. Thiry-three ESRD patients with normal-appearing brain tissues and 29 age- and gender-matched healthy controls were enrolled in this study and underwent both cognitive ability screening instrument (CASI) assessment and diffusion tensor imaging (DTI) acquisition. Brain structural connectivity network was constructed using probabilistic tractography with automatic anatomical labeling template. Graph-theory analysis was performed to detect the alterations of node-strength, node-degree, node-local efficiency, and node-clustering coefficient in ESRD patients. Correlational analysis was performed to understand the relationship between network measures, CASI score, and dialysis duration. Structural connectivity, node-strength, node-degree, and node-local efficiency were significantly decreased, whereas node-clustering coefficient was significantly increased in ESRD patients as compared with healthy controls. The disrupted local structural networks were generally associated with common neurological complications of ESRD patients, but the correlational analysis did not reveal significant correlation between network measures, CASI score, and dialysis duration. Graph-theory analysis was helpful to investigate disruptions of brain structural network in ESRD patients with normal-appearing brain tissues. Copyright © 2018. Published by Elsevier Masson SAS.

Superresolution imaging of Drosophila tissues using expansion microscopy.

PubMed

Jiang, Nan; Kim, Hyeon-Jin; Chozinski, Tyler J; Azpurua, Jorge E; Eaton, Benjamin A; Vaughan, Joshua C; Parrish, Jay Z

2018-06-15

The limited resolving power of conventional diffraction-limited microscopy hinders analysis of small, densely packed structural elements in cells. Expansion microscopy (ExM) provides an elegant solution to this problem, allowing for increased resolution with standard microscopes via physical expansion of the specimen in a swellable polymer hydrogel. Here, we apply, validate, and optimize ExM protocols that enable the study of Drosophila embryos, larval brains, and larval and adult body walls. We achieve a lateral resolution of ∼70 nm in Drosophila tissues using a standard confocal microscope, and we use ExM to analyze fine intracellular structures and intercellular interactions. First, we find that ExM reveals features of presynaptic active zone (AZ) structure that are observable with other superresolution imaging techniques but not with standard confocal microscopy. We further show that synapses known to exhibit age-dependent changes in activity also exhibit age-dependent changes in AZ structure. Finally, we use the significantly improved axial resolution of ExM to show that dendrites of somatosensory neurons are inserted into epithelial cells at a higher frequency than previously reported in confocal microscopy studies. Altogether, our study provides a foundation for the application of ExM to Drosophila tissues and underscores the importance of tissue-specific optimization of ExM procedures.

Effect of reduction time on the structure and properties of porous graphene

NASA Astrophysics Data System (ADS)

Li, Guoping; Zhang, Chenhui; Zhang, Tianfu; Xia, Min; Luo, Yunjun

2017-07-01

Porous graphene with nanoscaled pores on the sheets was prepared by a carbon thermal reduction method, in which the molybdenum oxide nanoparticles generated from the thermal decomposition of molybdate were used as the etching reagent, and the pores were formed on the surface of the reduced graphene oxide under the conditions of 650 °C and a nitrogen atmosphere. The morphology of pores on the graphene sheets may affect their potential applications in various fields, especially in the enhancement of mass transfer. Previous studies have shown that the reduction temperature and the amount of metal oxide are the key factors affecting the morphology of porous graphene, but in fact the reduction time is a more important affecting factor according to the present study. The results of SEM/TEM showed that a disordered large sheet-like structure with wrinkles was obtained at 120 min in the carbon-thermal reaction. The structural integrity of the PG was further destroyed after the reaction time of 140 min, in which the edge exhibited slightly crush and significant fold. The PG exhibited a hollow rod-like structure at the reaction time of 180 min. FTIR, Raman, XRD, and XPS studies were performed to characterize the morphology of porous graphene prepared at different reduction times.

Beyond general behavioral theories: structural discrepancy in young motorcyclist's risky driving behavior and its policy implications.

PubMed

Chung, Yi-Shih; Wong, Jinn-Tsai

2012-11-01

While many studies examine the mean score differences of psychological determinants between heterogeneous driver groups, this study reveals a structural discrepancy in a causal behavioral framework. Using young motorcyclists (ages 18-28) as subjects, this study investigates the various roles of key influential factors in determining risky driving behavior. Multi-group analysis of structural equation modeling shows that age and gender are two factors that can effectively distinguish heterogeneous driver groups exhibiting different decision-making mechanisms in shaping their risky driving behaviors. When encountering undesirable traffic conditions, road rage can immediately increase male motorcyclists' intentions to engage in risky driving behaviors; on the other hand, young female motorcyclists further calculate their perceived risk to determine whether to engage in risky driving behaviors. This result shows that there is a significant link between risk perception and traffic condition awareness for experienced drivers (ages 25-28), but not for younger drivers (ages 18-24). This finding shows that while well-developed theories such as planned behavior and risk homeostasis provide general frameworks to explain risky driving behavior, heterogeneous driver groups may exhibit structural discrepancies that reflect their various decision-making mechanisms. This suggests that, in addition to mean differences, understanding structural discrepancies among heterogeneous groups could help researchers identify effective intervention strategies. Copyright © 2011 Elsevier Ltd. All rights reserved.

Influence of two different template removal methods on the micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres

NASA Astrophysics Data System (ADS)

Wang, Han; Jin, Tingting; Zheng, Xing; Jiang, Bo; Zhu, Chaosheng; Yuan, Xiangdong; Zheng, Jingtang; Wu, Mingbo

2016-11-01

Hollow cadmium sulfide (CdS) nanospheres of about 260 nm average diameters and about 30 nm shell thickness can be easily synthesized via a sonochemical process, in which polystyrene (PS) nanoparticles were employed as templates. In order to remove the PS templates, both etching and calcination were applied in this paper. The influence of the two different template removal methods on the surface micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres was carefully performed a comparative study. Results of X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray, FT-IR, thermogravimetric analysis, Brunauer-Emmett-Teller, diffused reflectance spectra, and decolorization experiments showed that the different template removal methods exhibited a significant influence on the surface micromorphology, crystal structure, and photocatalytic activity of hollow CdS nanospheres. The CdS hollow nanospheres as-prepared by etching had pure cubic sphalerite structure, higher -OH content, less defects and exhibited good photocatalytic activity for rhodamine-B, Methylene Blue and methyl orange under UV-vis light irradiation. However, CdS hollow nanospheres obtained by calcination with a hexagonal crystal structure, less -OH content, more defects have shown worse photocatalytic activity. This indicated that surface micromorphology and crystalline phase were mainly factors influencing photocatalytic activity of hollow CdS nanospheres.

Biofabricated Structures Reconstruct Functional Urinary Bladders in Radiation-injured Rat Bladders.

PubMed

Imamura, Tetsuya; Shimamura, Mitsuru; Ogawa, Teruyuki; Minagawa, Tomonori; Nagai, Takashi; Silwal Gautam, Sudha; Ishizuka, Osamu

2018-05-08

The ability to repair damaged urinary bladders through the application of bone marrow-derived cells is in the earliest stages of development. We investigated the application of bone marrow-derived cells to repair radiation-injured bladders. We used a three-dimensional (3D) bioprinting robot system to biofabricate bone marrow-derived cell structures. We then determined if the biofabricated structures could restore the tissues and functions of radiation-injured bladders. The bladders of female 10-week-old Sprague-Dawley (SD) rats were irradiated with 2-Gy once a week for 5 weeks. Adherent and proliferating bone marrow-derived cells harvested from the femurs of male 17-week-old green fluorescence protein-transfected Tg-SD rats were cultured in collagen-coated flasks. Bone marrow-derived cell spheroids were formed in 96-well plates. Three layers of spheroids were assembled by the bioprinter onto a 9x9 microneedle array. The assembled spheroids were perfusion cultured for 7 days, and then the microneedle array was removed. Two weeks after the last radiation treatment, the biofabricated structures were transplanted into an incision on the anterior wall of the bladders (n=10). Control rats received the same surgery but without the biofabricated structures (sham-structure, n=12). At 2 and 4 weeks after surgery, the sham-structure control bladder tissues exhibited disorganized smooth muscle layers, decreased nerve cells, and significant fibrosis with increased presence of fibrosis-marker P4HB-positive cells and hypoxia-marker HIF1α-positive cells. The transplanted structures survived within the recipient tissues, and blood vessels extended within them from the recipient tissues. The bone marrow-derived cells in the structures differentiated into smooth muscle cells and formed smooth muscle clusters. The recipient tissues near the transplanted structures had distinct smooth muscle layers and reconstructed nerve cells, and only minimal fibrosis with decreased presence of P4HB- and HIF1α-positive cells. At 4 weeks after surgery, the sham-structure control rats exhibited significant urinary frequency symptoms with irregular and short voiding intervals, and low micturition volumes. In contrast, the structure-transplanted rats had regular micturition with longer voiding intervals and higher micturition volumes compared to the control rats. Further, the residual volume of the structure-transplanted rats was lower than for the controls. Therefore, transplantation of biofabricated bone marrow-derived cell structures reconstructed functional bladders.

Nanomechanical properties of distinct fibrillar polymorphs of the protein α-synuclein.

PubMed

Makky, Ali; Bousset, Luc; Polesel-Maris, Jérôme; Melki, Ronald

2016-11-30

Alpha-synuclein (α-Syn) is a small presynaptic protein of 140 amino acids. Its pathologic intracellular aggregation within the central nervous system yields protein fibrillar inclusions named Lewy bodies that are the hallmarks of Parkinson's disease (PD). In solution, pure α-Syn adopts an intrinsically disordered structure and assembles into fibrils that exhibit considerable morphological heterogeneity depending on their assembly conditions. We recently established tightly controlled experimental conditions allowing the assembly of α-Syn into highly homogeneous and pure polymorphs. The latter exhibited differences in their shape, their structure but also in their functional properties. We have conducted an AFM study at high resolution and performed a statistical analysis of fibrillar α-Syn shape and thermal fluctuations to calculate the persistence length to further assess the nanomechanical properties of α-Syn polymorphs. Herein, we demonstrated quantitatively that distinct polymorphs made of the same protein (wild-type α-Syn) show significant differences in their morphology (height, width and periodicity) and physical properties (persistence length, bending rigidity and axial Young's modulus).

Effects of surface morphology of ZnO seed layers on growth of ZnO nanostructures prepared by hydrothermal method and annealing.

PubMed

Yim, Kwang Gug; Kim, Min Su; Leem, Jae-Young

2013-05-01

ZnO nanostructures were grown on Si (111) substrates by a hydrothermal method. Prior to growing the ZnO nanostructures, ZnO seed layers with different post-heat temperatures were prepared by a spin-coating process. Then, the ZnO nanostructures were annealed at 500 degrees C for 20 min under an Ar atmosphere. Scanning electron microscopy (SEM), X-ray diffraction (XRD), and photoluminescence (PL) were carried out at room temperature (RT) to investigate the structural and optical properties of the as-grown and annealed ZnO nanostructures. The surface morphologies of the seed layers changed from a smooth surface to a mountain chain-like structure as the post-heating temperatures increased. The as-grown and annealed ZnO nanostructures exhibited a strong (002) diffraction peak. Compared to the as-grown ZnO nanostructures, the annealed ZnO nanostructures exhibited significantly strong enhancement in the PL intensity ratio by almost a factor of 2.

Shape-Independent Limits to Near-Field Radiative Heat Transfer

NASA Astrophysics Data System (ADS)

Miller, Owen D.; Johnson, Steven G.; Rodriguez, Alejandro W.

2015-11-01

We derive shape-independent limits to the spectral radiative heat transfer rate between two closely spaced bodies, generalizing the concept of a blackbody to the case of near-field energy transfer. Through conservation of energy and reciprocity, we show that each body of susceptibility χ can emit and absorb radiation at enhanced rates bounded by |χ |2/Im χ , optimally mediated by near-field photon transfer proportional to 1 /d2 across a separation distance d . Dipole-dipole and dipole-plate structures approach restricted versions of the limit, but common large-area structures do not exhibit the material enhancement factor and thus fall short of the general limit. By contrast, we find that particle arrays interacting in an idealized Born approximation (i.e., neglecting multiple scattering) exhibit both enhancement factors, suggesting the possibility of orders-of-magnitude improvement beyond previous designs and the potential for radiative heat transfer to be comparable to conductive heat transfer through air at room temperature, and significantly greater at higher temperatures.

Ratios of N15/C12 and He4/C12 inclusive electroproduction cross sections in the nucleon resonance region

NASA Astrophysics Data System (ADS)

Bosted, P. E.; Fersch, R.; Adams, G.; Amarian, M.; Anefalos, S.; Anghinolfi, M.; Asryan, G.; Avakian, H.; Bagdasaryan, H.; Baillie, N.; Ball, J. P.; Baltzell, N. A.; Barrow, S.; Batourine, V.; Battaglieri, M.; Beard, K.; Bedlinskiy, I.; Bektasoglu, M.; Bellis, M.; Benmouna, N.; Biselli, A. S.; Bonner, B. E.; Bouchigny, S.; Boiarinov, S.; Bradford, R.; Branford, D.; Brooks, W. K.; Bültmann, S.; Burkert, V. D.; Butuceanu, C.; Calarco, J. R.; Careccia, S. L.; Carman, D. S.; Carnahan, B.; Cazes, A.; Chen, S.; Cole, P. L.; Collins, P.; Coltharp, P.; Cords, D.; Corvisiero, P.; Crabb, D.; Crannell, H.; Crede, V.; Cummings, J. P.; de Masi, R.; de Vita, R.; de Sanctis, E.; Degtyarenko, P. V.; Denizli, H.; Dennis, L.; Deur, A.; Djalali, C.; Dodge, G. E.; Donnelly, J.; Doughty, D.; Dragovitsch, P.; Dugger, M.; Dharmawardane, K. V.; Dytman, S.; Dzyubak, O. P.; Egiyan, H.; Egiyan, K. S.; Elouadrhiri, L.; Eugenio, P.; Fatemi, R.; Fedotov, G.; Feuerbach, R. J.; Forest, T. A.; Fradi, A.; Funsten, H.; Garçon, M.; Gavalian, G.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guillo, M.; Guler, N.; Guo, L.; Gyurjyan, V.; Hadjidakis, C.; Hafidi, K.; Hakobyan, R. S.; Hardie, J.; Heddle, D.; Hersman, F. W.; Hicks, K.; Hleiqawi, I.; Holtrop, M.; Huertas, M.; Hyde-Wright, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Ito, M. M.; Jenkins, D.; Jo, H. S.; Joo, K.; Juengst, H. G.; Kalantarians, N.; Keith, C.; Kellie, J. D.; Khandaker, M.; Kim, K. Y.; Kim, K.; Kim, W.; Klein, A.; Klein, F. J.; Klusman, M.; Kossov, M.; Kramer, L. H.; Kubarovsky, V.; Kuhn, J.; Kuhn, S. E.; Kuleshov, S. V.; Lachniet, J.; Laget, J. M.; Langheinrich, J.; Lawrence, D.; Li, Ji; Lima, A. C. S.; Livingston, K.; Lu, H.; Lukashin, K.; MacCormick, M.; Markov, N.; McAleer, S.; McKinnon, B.; McNabb, J. W. C.; Mecking, B. A.; Mestayer, M. D.; Meyer, C. A.; Mibe, T.; Mikhailov, K.; Minehart, R.; Mirazita, M.; Miskimen, R.; Mokeev, V.; Morand, L.; Morrow, S. A.; Moteabbed, M.; Mueller, J.; Mutchler, G. S.; Nadel-Turonski, P.; Nasseripour, R.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Niczyporuk, B. B.; Niroula, M. R.; Niyazov, R. A.; Nozar, M.; O'Rielly, G. V.; Osipenko, M.; Ostrovidov, A. I.; Park, K.; Pasyuk, E.; Paterson, C.; Philips, S. A.; Pierce, J.; Pivnyuk, N.; Pocanic, D.; Pogorelko, O.; Polli, E.; Pozdniakov, S.; Preedom, B. M.; Price, J. W.; Prok, Y.; Protopopescu, D.; Qin, L. M.; Raue, B. A.; Riccardi, G.; Ricco, G.; Ripani, M.; Rosner, G.; Rossi, P.; Rowntree, D.; Rubin, P. D.; Sabatié, F.; Salgado, C.; Santoro, J. P.; Sapunenko, V.; Schumacher, R. A.; Serov, V. S.; Sharabian, Y. G.; Shaw, J.; Shvedunov, N. V.; Skabelin, A. V.; Smith, E. S.; Smith, L. C.; Sober, D. I.; Stavinsky, A.; Stepanyan, S. S.; Stepanyan, S.; Stokes, B. E.; Stoler, P.; Strauch, S.; Suleiman, R.; Taiuti, M.; Taylor, S.; Tedeschi, D. J.; Thoma, U.; Tkabladze, A.; Tkachenko, S.; Todor, L.; Ungaro, M.; Vineyard, M. F.; Vlassov, A. V.; Weinstein, L. B.; Weygand, D. P.; Williams, M.; Wolin, E.; Wood, M. H.; Yegneswaran, A.; Yun, J.; Zana, L.; Zhang, J.; Zhao, B.; Zhao, Z.

2008-07-01

The (W,Q2) dependence of the ratio of inclusive electron scattering cross sections for N15/C12 was determined in the kinematic ranges 0.8

Nanomechanical properties of distinct fibrillar polymorphs of the protein α-synuclein

NASA Astrophysics Data System (ADS)

Makky, Ali; Bousset, Luc; Polesel-Maris, Jérôme; Melki, Ronald

2016-11-01

Alpha-synuclein (α-Syn) is a small presynaptic protein of 140 amino acids. Its pathologic intracellular aggregation within the central nervous system yields protein fibrillar inclusions named Lewy bodies that are the hallmarks of Parkinson’s disease (PD). In solution, pure α-Syn adopts an intrinsically disordered structure and assembles into fibrils that exhibit considerable morphological heterogeneity depending on their assembly conditions. We recently established tightly controlled experimental conditions allowing the assembly of α-Syn into highly homogeneous and pure polymorphs. The latter exhibited differences in their shape, their structure but also in their functional properties. We have conducted an AFM study at high resolution and performed a statistical analysis of fibrillar α-Syn shape and thermal fluctuations to calculate the persistence length to further assess the nanomechanical properties of α-Syn polymorphs. Herein, we demonstrated quantitatively that distinct polymorphs made of the same protein (wild-type α-Syn) show significant differences in their morphology (height, width and periodicity) and physical properties (persistence length, bending rigidity and axial Young’s modulus).

Astragalar Morphology of Selected Giraffidae

PubMed Central

2016-01-01

The artiodactyl astragalus has been modified to exhibit two trochleae, creating a double pullied structure allowing for significant dorso-plantar motion, and limited mediolateral motion. The astragalus structure is partly influenced by environmental substrates, and correspondingly, morphometric studies can yield paleohabitat information. The present study establishes terminology and describes detailed morphological features on giraffid astragali. Each giraffid astragalus exhibits a unique combination of anatomical characteristics. The giraffid astragalar morphologies reinforce previously established phylogenetic relationships. We find that the enlargement of the navicular head is a feature shared by all giraffids, and that the primitive giraffids possess exceptionally tall astragalar heads in relation to the total astragalar height. The sivatheres and the okapi share a reduced notch on the lateral edge of the astragalus. We find that Samotherium is more primitive in astragalar morphologies than Palaeotragus, which is reinforced by tooth characteristics and ossicone position. Diagnostic anatomical characters on the astragalus allow for giraffid species identifications and a better understanding of Giraffidae. PMID:27028515

Two new oxysporone derivatives from the fermentation broth of the endophytic plant fungus Pestalotiopsis karstenii isolated from stems of Camellia sasanqua.

PubMed

Luo, Du Qiang; Zhang, Lei; Shi, Bao Zhong; Song, Xiao Mei

2012-07-17

Two new oxysporone derivatives, pestalrone A (1) and pestalrone B (2), along with two known structurally related compounds 3, 4, were from the fermentation broth of the endophytic plant fungus Pestalotiopsis karstenii isolated from stems of Camellia sasanqua. Their structures and relative configurations were elucidated by extensive spectroscopic analysis and comparison of chemical shifts with related known compounds. Compound 2 exhibited significant activities agains HeLa, HepG2 and U-251 with IC₅₀ values of 12.6, 31.7 and 5.4 µg/mL, respectively.

The effect of high-pressure torsion on the microstructure and properties of magnesium

NASA Astrophysics Data System (ADS)

Figueiredo, Roberto B.; Sabbaghianrad, Shima; Langdon, Terence G.

2017-05-01

High-pressure torsion provides the opportunity to introduce significant plastic strain at room temperature in magnesium and its alloys. It is now established that this processing operation produces ultrafine-grained structures and changes the properties of these materials. The present paper shows that the mechanism of grain refinement differs from f.c.c. and b.c.c. materials. It is shown that fine grains are formed at the grain boundaries of coarse grains and gradually consume the whole structure. Also, the processed material exhibits unusual mechanical properties due to the activation of grain boundary sliding at room temperature.

Molecular Design, Structures, and Activity of Antimicrobial Peptide-Mimetic Polymers

PubMed Central

Takahashi, Haruko; Palermo, Edmund F.; Yasuhara, Kazuma; Caputo, Gregory A.

2014-01-01

There is an urgent need for new antibiotics which are effective against drug-resistant bacteria without contributing to resistance development. We have designed and developed antimicrobial copolymers with cationic amphiphilic structures based on the mimicry of naturally occurring antimicrobial peptides. These copolymers exhibit potent antimicrobial activity against a broad spectrum of bacteria including methicillin-resistant Staphylococcus aureus with no adverse hemolytic activity. Notably, these polymers also did not result in any measurable resistance development in E. coli. The peptide-mimetic design principle offers significant flexibility and diversity in the creation of new antimicrobial materials and their potential biomedical applications. PMID:23832766

Anti-inflammatory steroids from the rhizomes of Dioscorea septemloba Thunb.

PubMed

Zhang, Yi; Yu, Hai-Yang; Chao, Li-Ping; Qu, Lu; Ruan, Jing-Ya; Liu, Yan-Xia; Dong, Yong-Zhe; Han, Li-Feng; Wang, Tao

2016-08-01

Seven new steroid glycosides, dioscorosides A1 (1), A2 (2), B1 (3), B2 (4), C1 (5), C2 (6), and D (7), together with 22 known ones (8-29) were isolated from the rhizomes of Dioscorea septemloba, their structures were elucidated by chemical and spectroscopic methods. All isolates were evaluated for in vitro anti-inflammatory potential using LPS-stimulated RAW 264.7 murine macrophages. Among them, spirostane glycosides 18 and 21-24 exhibited significant inhibition of nitrite production. Moreover, the structure-activity relationship was summarized. Copyright © 2016 Elsevier Inc. All rights reserved.

Synthesis, characterization, crystal structure and quantum chemical investigations of three novel coumarin-benzenesulfonohydrazide derivatives

NASA Astrophysics Data System (ADS)

Chethan Prathap, K. N.; Lokanath, N. K.

2018-04-01

Coumarin derivatives are an important class of heterocyclic compounds due to their physical and biological properties. Coumarin derivatives have been identified with many significant electro-optical properties and biological activities. Three novel coumarin derivatives containing benzene sulfonohydrazide group were synthesized by condensation reaction. The synthesized compounds were characterized by various spectroscopic techniques (Mass, 1H/13C NMR and FTIR). Thermal and optical properties were investigated by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and UV-Vis spectroscopic studies. Finally their structures were confirmed by single crystal X-ray diffraction (XRD) studies. The three compounds exhibit diverse intermolecular interactions, as observed by the crystal packing and Hirshfeld surface analysis. Further, their structures were optimized by density functional theory (DFT) calculations using B3LYP hybrid functionals with 6-311G+(d,p) level basis set. The Mulliken charge, molecular electrostatic potential (MEP), frontier molecular orbitals (HOMO-LUMO) were investigated. The experimentally determined parameters were compared with those calculated theoretically and they complement each other with a very good correlation. The transitions among the molecular orbitals were investigated using time-dependent density functional theory (TD-DFT) and the electronic absorption spectra obtained showed very good agreement with the experimentally measured UV-Vis spectra. Furthermore, non-linear optical (NLO) properties were investigated by calculating polarizabilities and hyperpolarizabilities. All three compounds exhibit significantly high hyperpolarizabilities compared to the reference material urea, which makes them potential candidates for NLO applications.

The relationship between phenolics and flavonoids production with total non structural carbohydrate and photosynthetic rate in Labisia pumila Benth. under high CO2 and nitrogen fertilization.

PubMed

Ibrahim, Mohd Hafiz; Jaafar, Hawa Z E; Rahmat, Asmah; Rahman, Zaharah Abdul

2010-12-29

A factorial split plot 4 × 3 experiment was designed to examine and characterize the relationship among production of secondary metabolites (total phenolics, TP; total flavonoids, TF), carbohydrate content and photosynthesis of three varieties of the Malaysian medicinal herb Labisia pumila Benth. namely the varieties alata, pumila and lanceolata under CO(2) enrichment (1,200 µmol mol(-1)) combined with four levels of nitrogen fertilization (0, 90, 180 and 270 kg N ha(-1)). No varietal differences were observed, however, as the levels of nitrogen increased from 0 to 270 kg N ha(-1), the production of TP and TF decreased in the order leaves>roots>stems. The production of TP and TF was related to increased total non structural carbohydrate (TNC), where the increase in starch content was larger than that in sugar concentration. Nevertheless, the regression analysis exhibited a higher influence of soluble sugar concentration (r(2) = 0.88) than starch on TP and TF biosynthesis. Photosynthesis, on the other hand, displayed a significant negative relationship with TP and TF production (r(2) = -0.87). A decrease in photosynthetic rate with increasing secondary metabolites might be due to an increase in the shikimic acid pathway that results in enhanced production of TP and TF. Chlorophyll content exhibited very significant negative relationships with total soluble sugar, starch and total non structural carbohydrate.

Hydrolytic degradation and morphologic study of poly-p-dioxanone.

PubMed

Lin, H L; Chu, C C; Grubb, D

1993-02-01

The in vitro hydrolytic degradation of 2-0 size PDS monofilament suture was studied for the purpose of revealing its morphologic structure and degradation mechanism. The sutures were immersed in phosphate buffer of pH 7.44 for up to 120 days at 37 degrees C. These hydrolyzed sutures were examined by the changes in tensile properties, weight, thermal properties, x-ray diffraction structure, surface morphology, and dye diffusion phenomena. It was found that hydrolysis had significant effects on the change of PDS fiber morphology and properties. Hydrolysis, however, had no significant effect on overall molecular orientation of the fiber until the very late stage. PDS suture fibers retained their skeleton throughout the earlier periods of hydrolysis concurrent with mass and tensile strength losses. PDS sutures exhibited an absorption delay of 120 days. Both heat of fusion and melting point exhibited a maximum function of hydrolysis time. Hydrolysis of PDS suture fibers proceeded through two stages: random scission of chain segments located in the amorphous regions of microfibrils and intermicrofibrillar space, followed by stepwise scission of chain segments located in the crystalline regions of microfibrils. Dye diffusion data showed that the passage along the longitudinal direction of the fiber was relatively easier than the lateral direction as evident in the diffusion coefficient, activation energy, and flexibility of chain segments. Swiss-cheese model of fiber structure appears to describe the observed dye diffusion phenomena and their dependence on hydrolysis time and dying temperature.

Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin

NASA Astrophysics Data System (ADS)

Verly, Rodrigo M.; Resende, Jarbas M.; Junior, Eduardo F. C.; de Magalhães, Mariana T. Q.; Guimarães, Carlos F. C. R.; Munhoz, Victor H. O.; Bemquerer, Marcelo Porto; Almeida, Fábio C. L.; Santoro, Marcelo M.; Piló-Veloso, Dorila; Bechinger, Burkhard

2017-01-01

Antimicrobial peptides (AMPs) from amphibian skin are valuable template structures to find new treatments against bacterial infections. This work describes for the first time the structure and membrane interactions of a homodimeric AMP. Homotarsinin, which was found in Phyllomedusa tarsius anurans, consists of two identical cystine-linked polypeptide chains each of 24 amino acid residues. The high-resolution structures of the monomeric and dimeric peptides were determined in aqueous buffers. The dimer exhibits a tightly packed coiled coil three-dimensional structure, keeping the hydrophobic residues screened from the aqueous environment. An overall cationic surface of the dimer assures enhanced interactions with negatively charged membranes. An extensive set of biophysical data allowed us to establish structure-function correlations with antimicrobial assays against Gram-positive and Gram-negative bacteria. Although both peptides present considerable antimicrobial activity, the dimer is significantly more effective in both antibacterial and membrane biophysical assays.

Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin

PubMed Central

Verly, Rodrigo M.; Resende, Jarbas M.; Junior, Eduardo F. C.; de Magalhães, Mariana T. Q.; Guimarães, Carlos F. C. R.; Munhoz, Victor H. O.; Bemquerer, Marcelo Porto; Almeida, Fábio C. L.; Santoro, Marcelo M.; Piló-Veloso, Dorila; Bechinger, Burkhard

2017-01-01

Antimicrobial peptides (AMPs) from amphibian skin are valuable template structures to find new treatments against bacterial infections. This work describes for the first time the structure and membrane interactions of a homodimeric AMP. Homotarsinin, which was found in Phyllomedusa tarsius anurans, consists of two identical cystine-linked polypeptide chains each of 24 amino acid residues. The high-resolution structures of the monomeric and dimeric peptides were determined in aqueous buffers. The dimer exhibits a tightly packed coiled coil three-dimensional structure, keeping the hydrophobic residues screened from the aqueous environment. An overall cationic surface of the dimer assures enhanced interactions with negatively charged membranes. An extensive set of biophysical data allowed us to establish structure-function correlations with antimicrobial assays against Gram-positive and Gram-negative bacteria. Although both peptides present considerable antimicrobial activity, the dimer is significantly more effective in both antibacterial and membrane biophysical assays. PMID:28102305

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin.

PubMed

Verly, Rodrigo M; Resende, Jarbas M; Junior, Eduardo F C; de Magalhães, Mariana T Q; Guimarães, Carlos F C R; Munhoz, Victor H O; Bemquerer, Marcelo Porto; Almeida, Fábio C L; Santoro, Marcelo M; Piló-Veloso, Dorila; Bechinger, Burkhard

2017-01-19

Antimicrobial peptides (AMPs) from amphibian skin are valuable template structures to find new treatments against bacterial infections. This work describes for the first time the structure and membrane interactions of a homodimeric AMP. Homotarsinin, which was found in Phyllomedusa tarsius anurans, consists of two identical cystine-linked polypeptide chains each of 24 amino acid residues. The high-resolution structures of the monomeric and dimeric peptides were determined in aqueous buffers. The dimer exhibits a tightly packed coiled coil three-dimensional structure, keeping the hydrophobic residues screened from the aqueous environment. An overall cationic surface of the dimer assures enhanced interactions with negatively charged membranes. An extensive set of biophysical data allowed us to establish structure-function correlations with antimicrobial assays against Gram-positive and Gram-negative bacteria. Although both peptides present considerable antimicrobial activity, the dimer is significantly more effective in both antibacterial and membrane biophysical assays.

In silico investigation of lavandulyl flavonoids for the development of potent fatty acid synthase-inhibitory prototypes.

PubMed

Oh, Joonseok; Liu, Haining; Park, Hyun Bong; Ferreira, Daneel; Jeong, Gil-Saeng; Hamann, Mark T; Doerksen, Robert J; Na, MinKyun

2017-01-01

Inhibition of fatty acid synthase (FAS) is regarded as a sensible therapeutic strategy for the development of optimal anti-cancer agents. Flavonoids exhibit potent anti-neoplastic properties. The MeOH extract of Sophora flavescens was subjected to chromatographic analyses such as VLC and HPLC for the purification of active flavonoids. The DP4 chemical-shift analysis protocol was employed to investigate the elusive chirality of the lavandulyl moiety of the purified polyphenols. Induced Fit docking protocols and per-residue analyses were utilized to scrutinize structural prerequisites for hampering FAS activity. The FAS-inhibitory activity of the purified flavonoids was assessed via the incorporation of [ 3 H] acetyl-CoA into palmitate. Six flavonoids, including lavandulyl flavanones, were purified and evaluated for FAS inhibition. The lavandulyl flavanone sophoraflavanone G (2) exhibited the highest potency (IC 50 of 6.7±0.2μM), which was more potent than the positive controls. Extensive molecular docking studies revealed the structural requirements for blocking FAS. Per-residue interaction analysis demonstrated that the lavandulyl functional group in the active flavonoids (1-3 and 5) significantly contributed to increasing their binding affinity towards the target enzyme. This research suggests a basis for the in silico design of a lavandulyl flavonoid-based architecture showing anti-cancer effects via enhancement of the binding potential to FAS. FAS inhibition by flavonoids and their derivatives may offer significant potential as an approach to lower the risk of various cancer diseases and related fatalities. In silico technologies with available FAS crystal structures may be of significant use in optimizing preliminary leads. Copyright © 2016 Elsevier B.V. All rights reserved.

In vitro and in vivo anti-tumour activities of echinoside A and ds-echinoside A from Pearsonothuria graeffei.

PubMed

Zhao, Qin; Xue, Yong; Wang, Jing-feng; Li, Hui; Long, Teng-teng; Li, Zhaojie; Wang, Yu-ming; Dong, Ping; Xue, Chang-hu

2012-03-15

Echinoside A (EA) and ds-echinoside A (DSEA) are triterpene glycosides isolated from the sea cucumber Pearsonothuria graeffei. DSEA, the desulfurisation product of EA, has the following structure: β-D-xylopyranosyl-holost-8(9),11(12)-diene-3β,17α-diol. In the present study, we examined the anti-tumour activities-in particular, the structure-activity relationships-of EA and DSEA in vitro and in vivo. Both EA and DSEA exhibited an inhibitory effect on cell proliferation, along with apoptosis-inducing activity, in HepG2 cells. Moreover, they significantly arrested the cell cycle in the G₀/G₁ phase. A reverse transcriptase-polymerase chain reaction assay revealed that EA and DSEA significantly increased the expression of the cell-cycle-related genes, namely, p16, p21 and c-myc, and decreased that of cyclin D₁. Western blotting analysis demonstrated that they down-regulated the expression of Bcl-2, and enhanced mitochondria cytochrome c release, caspase-3 activation, and poly(adenosine diphosphate ribose) polymerase, cleavage. Nuclear factor kappa B (NF-κB) expression was significantly decreased by DSEA, but was unaffected by EA. EA and DSEA (2.5 mg kg⁻¹) treatment of mice bearing H22 hepatocarcinoma tumours reduced the tumour weight by 49.8% and 55.0%, respectively. EA and DSEA exhibit marked anti-cancer activity in HepG2 cells, by blocking cell-cycle progression and inducing apoptosis through the mitochondrial pathway. DSEA-induced apoptosis was more potent than EA-induced apoptosis. Furthermore, the two triterpene glycosides derived from P. graeffei may induce apoptosis of HepG2 cells in an NF-κB-dependent or NF-κB-independent manner, depending on their structure. Copyright © 2011 Society of Chemical Industry.

A Longitudinal Assessment of Structural and Chemical Alterations in Mixed Martial Arts Fighters.

PubMed

Mayer, Andrew R; Ling, Josef M; Dodd, Andrew B; Gasparovic, Charles; Klimaj, Stefan D; Meier, Timothy B

2015-11-15

Growing evidence suggests that temporally proximal acute concussions and repetitive subconcussive head injuries may lead to long-term neurological deficits. However, the underlying mechanisms of injury and their relative time-scales are not well documented in human injury models. The current study therefore investigated whether biomarkers of brain chemistry (magnetic resonance [MR] spectroscopy: N-acetylaspartate [NAA], combined glutamate and glutamine [Glx], total creatine [Cre], choline compounds [Cho], and myo-inositol [mI]) and structure (cortical thickness, white matter [WM]/subcortical volume) differed between mixed martial artists (MMA; n = 13) and matched healthy controls (HC) without a history of contact sport participation (HC; n = 14). A subset of participants (MMA = 9; HC = 10) returned for follow-up visits, with MMA (n = 3) with clinician-documented acute concussions also scanned serially. As expected, MMA self-reported a higher incidence of previous concussions and significantly more cognitive symptoms during prior concussion recovery. Fighters also exhibited reduced memory and processing speed relative to controls on neuropsychological testing coupled with cortical thinning in the left posterior cingulate gyrus and right occipital cortex at baseline assessment. Over a 1-year follow-up period, MMA experienced a significant decrease in both WM volume and NAA concentration, as well as relative thinning in the left middle and superior frontal gyri. These longitudinal changes did not correlate with self-reported metrics of injury (i.e., fight diary). In contrast, HC did not exhibit significant longitudinal changes over a 4-month follow-up period (p > 0.05). Collectively, current results provide preliminary evidence of progressive changes in brain chemistry and structure over a relatively short time period in individuals with high exposure to repetitive head hits. These findings require replication in independent samples.

A feature-based developmental model of the infant brain in structural MRI.

PubMed

Toews, Matthew; Wells, William M; Zöllei, Lilla

2012-01-01

In this paper, anatomical development is modeled as a collection of distinctive image patterns localized in space and time. A Bayesian posterior probability is defined over a random variable of subject age, conditioned on data in the form of scale-invariant image features. The model is automatically learned from a large set of images exhibiting significant variation, used to discover anatomical structure related to age and development, and fit to new images to predict age. The model is applied to a set of 230 infant structural MRIs of 92 subjects acquired at multiple sites over an age range of 8-590 days. Experiments demonstrate that the model can be used to identify age-related anatomical structure, and to predict the age of new subjects with an average error of 72 days.

Small-scale plasma turbulence and intermittency in the high latitude F region based on the ICI-2 sounding rocket experiment

NASA Astrophysics Data System (ADS)

Spicher, A.; Miloch, W.; Moen, J. I.; Clausen, L. B. N.

2015-12-01

Small-scale plasma irregularities and turbulence are common phenomena in the F layer of the ionosphere, both in the equatorial and polar regions. A common approach in analyzing data from experiments on space and ionospheric plasma irregularities are power spectra. Power spectra give no information about the phases of the waveforms, and thus do not allow to determine whether some of the phases are correlated or whether they exhibit a random character. The former case would imply the presence of nonlinear wave-wave interactions, while the latter suggests a more turbulent-like process. Discerning between these mechanisms is crucial for understanding high latitude plasma irregularities and can be addressed with bispectral analysis and higher order statistics. In this study, we use higher order spectra and statistics to analyze electron density data observed with the ICI-2 sounding rocket experiment at a meter-scale resolution. The main objective of ICI-2 was to investigate plasma irregularities in the cusp in the F layer ionosphere. We study in detail two regions intersected during the rocket flight and which are characterized by large density fluctuations: a trailing edge of a cold polar cap patch, and a density enhancement subject to cusp auroral particle precipitation. While these two regions exhibit similar power spectra, our analysis reveals that their internal structure is different. The structures on the edge of the polar cap patch are characterized by significant coherent mode coupling and intermittency, while the plasma enhancement associated with precipitation exhibits stronger random characteristics. This indicates that particle precipitation may play a fundamental role in ionospheric plasma structuring by creating turbulent-like structures.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ravikumar, Patta; Kisan, Bhagaban; Perumal, A., E-mail: perumal@iitg.ernet.in

We report systematic investigations of structural, vibrational, resonance and magnetic properties of nanoscale NiO powders prepared by ball milling process under different milling speeds for 30 hours of milling. Structural properties revealed that both pure NiO and as-milled NiO powders exhibit face centered cubic structure, but average crystallite size decreases to around 11 nm along with significant increase in strain with increasing milling speed. Vibrational properties show the enhancement in the intensity of one-phonon longitudinal optical (LO) band and disappearance of two-magnon band due to size reduction. In addition, two-phonon LO band exhibits red shift due to size-induced phonon confinementmore » effect and surface relaxation. Pure NiO powder exhibit antiferromagnetic nature, which transforms into induced ferromagnetic after size reduction. The average magnetization at room temperature increases with decreasing the crystallite size and a maximum moment of 0.016 μ{sub B}/f.u. at 12 kOe applied field and coercivity of 170 Oe were obtained for 30 hours milled NiO powders at 600 rotation per minute milling speed. The change in the magnetic properties is also supported by the vibrational properties. Thermomagnetization measurements at high temperature reveal a well-defined magnetic phase transition at high temperature (T{sub C}) around 780 K due to induced ferromagnetic phase. Electron paramagnetic resonance (EPR) studies reveal a good agreement between the EPR results and magnetic properties. The observed results are described on the basis of crystallite size variation, defect density, large strain, oxidation/reduction of Ni and interaction between uncompensated surfaces and particle core with lattice expansion. The obtained results suggest that nanoscale NiO powders with high T{sub C} and moderate magnetic moment at room temperature with cubic structure would be useful to expedite for spintronic devices.« less

Structural diversification and photocatalytic properties of three Cd(II) coordination polymers decorated with different auxiliary ligands

NASA Astrophysics Data System (ADS)

Yin, Wen-Yu; Zhuang, Guo-Yong; Huang, Zuo-Long; Cheng, Hong-Jian; Zhou, Li; Ma, Man-Hong; Wang, Hao; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin

2016-03-01

Three cadmium coordination polymers, [Cd(bismip)]n (1), {[Cd(bismip)(phen)]·H2O}n (2) and {[Cd2(bismip)2(4,4‧-bipy)]·2H2O}n (3) (H2bismip=5-(1H-benzoimidazol-2-ylsulfanylmethyl)-isophthalic acid, phen=1,10-phenanthroline, 4,4‧-bipy=4,4‧-bipyridine) have been prepared under solvothermal conditions. In 1, the [Cd4(bismip)3] units are jointed by bismip ligands to afford a three-dimensional (3D) architecture. Complex 2 exhibits a 3D supramolecular framework based on the interconnection of 1D chains through hydrogen bonding interactions and π-π packing interactions. 3 is a two-fold interpenetrating 3D architecture with a (4·82)(42·84) Schläfli symbol in which 2D layers are interlinked by 4,4‧-bipy ligands. The diverse structures of compounds 1-3 indicate that the auxiliary ligands have significant effects on the final structures. The photoluminescent properties and photocatalytic properties of these coordination polymers in the solid state were also investigated. Remarkably, 3 shows the wide gap semiconductor nature and exhibit excellent photocatalytic performance.

Diterpenes from the Marine Algae of the Genus Dictyota.

PubMed

Chen, Jiayun; Li, Hong; Zhao, Zishuo; Xia, Xue; Li, Bo; Zhang, Jinrong; Yan, Xiaojun

2018-05-11

Species of the brown algae of the genus Dictyota are rich sources of bioactive secondary metabolites with diverse structural features. Excellent progress has been made in the discovery of diterpenes possessing broad chemical defensive activities from this genus. Most of these diterpenes exhibit significant biological activities, such as antiviral, cytotoxic and chemical defensive activities. In the present review, we summarized diterpenes isolated from the brown algae of the genus.

Carbon Nanotubes by CVD and Applications

NASA Technical Reports Server (NTRS)

Cassell, Alan; Delzeit, Lance; Nguyen, Cattien; Stevens, Ramsey; Han, Jie; Meyyappan, M.; Arnold, James O. (Technical Monitor)

2001-01-01

Carbon nanotube (CNT) exhibits extraordinary mechanical and unique electronic properties and offers significant potential for structural, sensor, and nanoelectronics applications. An overview of CNT, growth methods, properties and applications is provided. Single-wall, and multi-wall CNTs have been grown by chemical vapor deposition. Catalyst development and optimization has been accomplished using combinatorial optimization methods. CNT has also been grown from the tips of silicon cantilevers for use in atomic force microscopy.

Inhibitors for Androgen Receptor Activation Surfaces

DTIC Science & Technology

2007-09-01

Inhibitor of Coregulator Binding to the Thyroid Hormone Receptor.. Molecular Endocrinology, 2007 Sep 6; [Epub ahead of print] PMID: 17823305 (related...Kiplin Guy†, Paul Webb‡, and Robert J. Fletterick* *Department of Biochemistry and Biophysics, §Department of Molecular and Cellular Pharmacology, and...are also small but significant shifts in secondary structural elements; residues 720–730 (H3) and 825–847 (H9) exhibit rmsd of 0.33 and 0.44

Foraging behaviour in Drosophila larvae: mushroom body ablation.

PubMed

Osborne, K A; de Belle, J S; Sokolowski, M B

2001-02-01

Drosophila larvae and adults exhibit a naturally occurring genetically based behavioural polymorphism in locomotor activity while foraging. Larvae of the rover morph exhibit longer foraging trails than sitters and forage between food patches, while sitters have shorter foraging trails and forage within patches. This behaviour is influenced by levels of cGMP-dependent protein kinase (PGK) encoded by the foraging (for) gene. Rover larvae have higher expression levels and higher PGK activities than do sitters. Here we discuss the importance of the for gene for studies of the mechanistic and evolutionary significance of individual differences in behaviour. We also show how structure-function analysis can be used to investigate a role for mushroom bodies in larval behaviour both in the presence and in the absence of food. Hydroxyurea fed to newly hatched larvae prevents the development of all post-embryonically derived mushroom body (MB) neuropil. This method was used to ablate MBs in rover and sitter genetic variants of foraging to test whether these structures mediate expression of the foraging behavioural polymorphism. We found that locomotor activity levels during foraging of both the rover and sitter larval morphs were not significantly influenced by MB ablation. Alternative hypotheses that may explain how variation in foraging behaviour is generated are discussed.

Anticholinesterase activity of 7-methoxyflavones isolated from Kaempferia parviflora.

PubMed

Sawasdee, Pattara; Sabphon, Chalisa; Sitthiwongwanit, Duangporn; Kokpol, Udom

2009-12-01

The rhizome of Kaempferia parviflora or kra-chai-dum (in Thai) is used traditionally as a folk medicine. The preliminary cholinesterase inhibitory screening of this plant extract exhibited significant acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitory activities. Thirteen known methoxyflavones (1-13) were isolated and their structures were completely elucidated based on NMR analysis and compared with literature reports. Minor compounds 12-13 were reported for the first time from this species. The cholinesterase inhibitory test results showed that the highest potential inhibitors toward AChE and BChE were 5,7,4'-trimethoxyflavone (6) and 5,7-dimethoxyflavone (7), respectively, with the percentage inhibitory activity varying over 43-85%. The structure-activity relationship study led to the conclusion that compounds bearing 5,7-dimethoxy groups and a free substituent at C-3 had a significant inhibitory effect at a concentration of 0.1 mg/mL, but those bearing a 5-hydroxyl group reduced the inhibitory potency. On the other hand, flavones bearing a 3'- or 5'-methoxy group did not influence the inhibitory effect. Interestingly, 5,7-dimethoxyflavone (7) exhibited strong selectivity for BChE over AChE which may be of great interest to modify as a treatment agent for Alzheimer's disease. Copyright (c) 2009 John Wiley & Sons, Ltd.

Tunnel-structured Na 0.66[Mn 0.66Ti 0.34]O 2-xF x(x <0.1) cathode for high performance sodium-ion batteries

DOE PAGES

Wang, Qin-Chao; Qiu, Qi-Qi; Xiao, Na; ...

2018-03-13

Sodium-ion batteries (SIBs) are attracting significant research attentions for large-scale energy storage applications. Cathode material is the vital part of SIBs to determine the capacity and cycle performance. Here, a series of F-doped Na 0.66[Mn 0.66Ti 0.34]O 2-xF x (x < 0.1) cathodes with tunnel structure are designed and synthesized aiming to enlarge the sodium diffusion paths. The lattice parameters of unit cell are tuned successfully by adjusting F doping amount. Na 0.66[Mn 0.66Ti 0.34]O 1.94F 0.06 with the optimized stoichiometry exhibits a reversible capacity of 97 mAh g -1 and promising cycle performance (85 mAh g -1 is maintainedmore » at 2C after 1000 cycles) with extremely low voltage polarization. More significantly, Na 0.66[Mn 0.66Ti 0.34]O 1.94F 0.06 exhibits superior low temperature performance, owing to the much enhanced thermodynamics and kinetics benefited from F doping. In conclusion, this strategy may open new opportunities to design advanced intercalation-type cathode materials for sodium ion batteries, especially for low-temperature applications.« less

Tunnel-structured Na 0.66[Mn 0.66Ti 0.34]O 2-xF x(x <0.1) cathode for high performance sodium-ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Qin-Chao; Qiu, Qi-Qi; Xiao, Na

Sodium-ion batteries (SIBs) are attracting significant research attentions for large-scale energy storage applications. Cathode material is the vital part of SIBs to determine the capacity and cycle performance. Here, a series of F-doped Na 0.66[Mn 0.66Ti 0.34]O 2-xF x (x < 0.1) cathodes with tunnel structure are designed and synthesized aiming to enlarge the sodium diffusion paths. The lattice parameters of unit cell are tuned successfully by adjusting F doping amount. Na 0.66[Mn 0.66Ti 0.34]O 1.94F 0.06 with the optimized stoichiometry exhibits a reversible capacity of 97 mAh g -1 and promising cycle performance (85 mAh g -1 is maintainedmore » at 2C after 1000 cycles) with extremely low voltage polarization. More significantly, Na 0.66[Mn 0.66Ti 0.34]O 1.94F 0.06 exhibits superior low temperature performance, owing to the much enhanced thermodynamics and kinetics benefited from F doping. In conclusion, this strategy may open new opportunities to design advanced intercalation-type cathode materials for sodium ion batteries, especially for low-temperature applications.« less

Structural covariance networks across the life span, from 6 to 94 years of age.

PubMed

DuPre, Elizabeth; Spreng, R Nathan

2017-10-01

Structural covariance examines covariation of gray matter morphology between brain regions and across individuals. Despite significant interest in the influence of age on structural covariance patterns, no study to date has provided a complete life span perspective-bridging childhood with early, middle, and late adulthood-on the development of structural covariance networks. Here, we investigate the life span trajectories of structural covariance in six canonical neurocognitive networks: default, dorsal attention, frontoparietal control, somatomotor, ventral attention, and visual. By combining data from five open-access data sources, we examine the structural covariance trajectories of these networks from 6 to 94 years of age in a sample of 1,580 participants. Using partial least squares, we show that structural covariance patterns across the life span exhibit two significant, age-dependent trends. The first trend is a stable pattern whose integrity declines over the life span. The second trend is an inverted-U that differentiates young adulthood from other age groups. Hub regions, including posterior cingulate cortex and anterior insula, appear particularly influential in the expression of this second age-dependent trend. Overall, our results suggest that structural covariance provides a reliable definition of neurocognitive networks across the life span and reveal both shared and network-specific trajectories.

Structural covariance networks across the life span, from 6 to 94 years of age

PubMed Central

DuPre, Elizabeth; Spreng, R. Nathan

2017-01-01

Structural covariance examines covariation of gray matter morphology between brain regions and across individuals. Despite significant interest in the influence of age on structural covariance patterns, no study to date has provided a complete life span perspective—bridging childhood with early, middle, and late adulthood—on the development of structural covariance networks. Here, we investigate the life span trajectories of structural covariance in six canonical neurocognitive networks: default, dorsal attention, frontoparietal control, somatomotor, ventral attention, and visual. By combining data from five open-access data sources, we examine the structural covariance trajectories of these networks from 6 to 94 years of age in a sample of 1,580 participants. Using partial least squares, we show that structural covariance patterns across the life span exhibit two significant, age-dependent trends. The first trend is a stable pattern whose integrity declines over the life span. The second trend is an inverted-U that differentiates young adulthood from other age groups. Hub regions, including posterior cingulate cortex and anterior insula, appear particularly influential in the expression of this second age-dependent trend. Overall, our results suggest that structural covariance provides a reliable definition of neurocognitive networks across the life span and reveal both shared and network-specific trajectories. PMID:29855624

Corn stalks char from fast pyrolysis as precursor material for preparation of activated carbon in fluidized bed reactor.

PubMed

Wang, Zhiqi; Wu, Jingli; He, Tao; Wu, Jinhu

2014-09-01

Corn stalks char from fast pyrolysis was activated by physical and chemical activation process in a fluidized bed reactor. The structure and morphology of the carbons were characterized by N2 adsorption and SEM. Effects of activation time and activation agents on the structure of activation carbon were investigated. The physically activated carbons with CO2 have BET specific surface area up to 880 m(2)/g, and exhibit microporous structure. The chemically activated carbons with H3PO4 have BET specific surface area up to 600 m(2)/g, and exhibit mesoporous structure. The surface morphology shows that physically activated carbons exhibit fibrous like structure in nature with long ridges, resembling parallel lines. Whereas chemically activated carbons have cross-interconnected smooth open pores without the fibrous like structure. Copyright © 2014 Elsevier Ltd. All rights reserved.

Lack of sex-biased dispersal promotes fine-scale genetic structure in alpine ungulates

USGS Publications Warehouse

Roffler, Gretchen H.; Talbot, Sandra L.; Luikart, Gordon; Sage, George K.; Pilgrim, Kristy L.; Adams, Layne G.; Schwartz, Michael K.

2014-01-01

Identifying patterns of fine-scale genetic structure in natural populations can advance understanding of critical ecological processes such as dispersal and gene flow across heterogeneous landscapes. Alpine ungulates generally exhibit high levels of genetic structure due to female philopatry and patchy configuration of mountain habitats. We assessed the spatial scale of genetic structure and the amount of gene flow in 301 Dall’s sheep (Ovis dalli dalli) at the landscape level using 15 nuclear microsatellites and 473 base pairs of the mitochondrial (mtDNA) control region. Dall’s sheep exhibited significant genetic structure within contiguous mountain ranges, but mtDNA structure occurred at a broader geographic scale than nuclear DNA within the study area, and mtDNA structure for other North American mountain sheep populations. No evidence of male-mediated gene flow or greater philopatry of females was observed; there was little difference between markers with different modes of inheritance (pairwise nuclear DNA F ST = 0.004–0.325; mtDNA F ST = 0.009–0.544), and males were no more likely than females to be recent immigrants. Historical patterns based on mtDNA indicate separate northern and southern lineages and a pattern of expansion following regional glacial retreat. Boundaries of genetic clusters aligned geographically with prominent mountain ranges, icefields, and major river valleys based on Bayesian and hierarchical modeling of microsatellite and mtDNA data. Our results suggest that fine-scale genetic structure in Dall’s sheep is influenced by limited dispersal, and structure may be weaker in populations occurring near ancestral levels of density and distribution in continuous habitats compared to other alpine ungulates that have experienced declines and marked habitat fragmentation.

Structural and numerical chromosome aberration inducers in liver micronucleus test in rats with partial hepatectomy.

PubMed

Itoh, Satoru; Hattori, Chiharu; Nagata, Mayumi; Sanbuissho, Atsushi

2012-08-30

The liver micronucleus test is an important method to detect pro-mutagens such as active metabolites not reaching bone marrow due to their short lifespan. We have already reported that dosing of the test compound after partial hepatectomy (PH) is essential to detect genotoxicity of numerical chromosome aberration inducers in mice [Mutat. Res. 632 (2007) 89-98]. In naive animals, the proportion of binucleated cells in rats is less than half of that in mice, which suggests a species difference in the response to chromosome aberration inducers. In the present study, we investigated the responses to structural and numerical chromosome aberration inducers in the rat liver micronucleus test. Two structural chromosome aberretion inducers (diethylnitrosamine and 1,2-dimethylhydrazine) and two numerical chromosome aberration inducers (colchicine and carbendazim) were used in the present study. PH was performed a day before or after the dosing of the test compound in 8-week old male F344 rats and hepatocytes were isolated 4 days after the PH. As a result, diethylnitrosamine and 1,2-dimethylhydrazine, structural chromosome aberration inducers, exhibited significant increase in the incidence of micronucleated hepatocyte (MNH) when given either before and after PH. Colchicine and carbendazim, numerical chromosome aberration inducers, did not result in any toxicologically significant increase in MNH frequency when given before PH, while they exhibited MNH induction when given after PH. It is confirmed that dosing after PH is essential in order to detect genotoxicity of numerical chromosome aberration inducers in rats as well as in mice. Regarding the species difference, a different temporal response to colchicine was identified. Colchicine increased the incidence of MNH 4 days after PH in rats, although such induction in mice was observed 8-10 days after PH. Copyright © 2012 Elsevier B.V. All rights reserved.

Multiple paternity and sporophytic inbreeding depression in a dioicous moss species.

PubMed

Szövényi, P; Ricca, M; Shaw, A J

2009-11-01

Multiple paternity (polyandry) frequently occurs in flowering plants and animals and is assumed to have an important function in the evolution of reproductive traits. Polyandry in bryophytes may occur among multiple sporophytes of a female gametophyte; however, its occurrence and extent is unknown. In this study we investigate the occurrence and extent of multiple paternity, spatial genetic structure, and sporophytic inbreeding depression in natural populations of a dioicous bryophyte species, Sphagnum lescurii, using microsatellite markers. Multiple paternity is prevalent among sporophytes of a female gametophyte and male genotypes exhibit significant skew in paternity. Despite significant spatial genetic structure in the population, suggesting frequent inbreeding, the number of inbred and outbred sporophytes was balanced, resulting in an average fixation coefficient and population level selfing rate of zero. In line with the prediction of sporophytic inbreeding depression sporophyte size was significantly correlated with the level of heterozygosity. Furthermore, female gametophytes preferentially supported sporophytes with higher heterozygosity. These results indicate that polyandry provides the opportunity for postfertilization selection in bryophytes having short fertilization distances and spatially structured populations facilitating inbreeding. Preferential maternal support of the more heterozygous sporophytes suggests active inbreeding avoidance that may have significant implications for mating system evolution in bryophytes.

Structural and immunologic characterization of bovine, horse, and rabbit serum albumins

PubMed Central

Majorek, Karolina A.; Porebski, Przemyslaw J.; Dayal, Arjun; Zimmerman, Matthew D.; Jablonska, Kamila; Stewart, Alan J.; Chruszcz, Maksymilian; Minor, Wladek

2012-01-01

Serum albumin (SA) is the most abundant plasma protein in mammals. SA is a multifunctional protein with extraordinary ligand binding capacity, making it a transporter molecule for a diverse range of metabolites, drugs, nutrients, metals and other molecules. Due to its ligand binding properties, albumins have wide clinical, pharmaceutical, and biochemical applications. Albumins are also allergenic, and exhibit a high degree of cross-reactivity due to significant sequence and structure similarity of SAs from different organisms. Here we present crystal structures of albumins from cattle (BSA), horse (ESA) and rabbit (RSA) serums. The structural data are correlated with the results of immunological studies of SAs. We also analyze the conservation or divergence of structures and sequences of SAs in the context of their potential allergenicity and cross-reactivity. In addition, we identified a previously uncharacterized ligand binding site in the structure of RSA, and calcium binding sites in the structure of BSA, which is the first serum albumin structure to contain metal ions. PMID:22677715

Adhesive and composite evaluation of acetylene-terminated phenylquinoxaline resins

NASA Technical Reports Server (NTRS)

Hergenrother, P. M.

1981-01-01

A series of acetylene-terminated phenylquinoxaline (ATPQ) oligomers of various molecular weights were prepared and subsequently chain extended by the thermally induced reaction of the ethynyl groups. The processability and thermal properties of these oligomers and their cured resins were compared with that of a relatively high molecular weight linear polyphenylquinoxaline (PPQ) with the same chemical backbone. The ATPQ oligomers exhibited significantly better processability than the linear PPQ but the PPQ displayed substantially better thermooxidative stability. Adhesive (Ti/Ti) and composite (graphite filament reinforcement) work was performed to evaluate the potential of these materials for structural applications. The PPQ exhibited better retention of adhesive and laminate properties than the ATPQ resins at 260 C after aging for 500 hr at 260 C in circulating air.

Pharmacological activities of a new glycosaminoglycan, acharan sulfate isolated from the giant African snail Achatina fulica.

PubMed

Shim, Jin Young; Lee, Yeon Sil; Jung, Sang Hoon; Choi, Hyung Seok; Shin, Kuk Hyun; Kim, Yeong Shik

2002-12-01

Acharan sulfate (AS) is a glycosaminoglycan (GAG) prepared from the giant African snail, Achatina fulica. In this study, some biological activities of AS were evaluated on the basis of structural similarities to heparin/heparan sulfate and the biological functions of GAGs. We demonstrated that it exhibited strong immunostimulating activities as measured by carbon clearance test in mice and in vivo phagocytosis. It also exhibited a significant hypoglycemic activity in epinephrine (EP)-induced hyperglycemia as well as antifatigue effects by weight-loaded forced swimming test. And it showed hypolipidemic activities in cholesterol-rich mixture induced hyperlipidemia in rats. The above results indicate that AS has diverse biological activities and suggest therapeutically important target molecules.

Ab Initio Calculations of Transport Properties of Vanadium Oxides

NASA Astrophysics Data System (ADS)

Lamsal, Chiranjivi; Ravindra, N. M.

2018-04-01

The temperature-dependent transport properties of vanadium oxides have been studied near the Fermi energy using the Kohn-Sham band structure approach combined with Boltzmann transport equations. V2O5 exhibits significant thermoelectric properties, which can be attributed to its layered structure and stability. Highly anisotropic electrical conduction in V2O5 is clearly manifested in the calculations. Due to specific details of the band structure and anisotropic electron-phonon interactions, maxima and crossovers are also seen in the temperature-dependent Seebeck coefficient of V2O5. During the phase transition of VO2, the Seebeck coefficient changes by 18.9 µV/K, which is close to (within 10% of) the observed discontinuity of 17.3 µV/K.

Silk-regulated hierarchical hollow magnetite/carbon nanocomposite spheroids for lithium-ion battery anodes.

PubMed

Sheng, Weiqin; Zhu, Guobin; Kaplan, David L; Cao, Chuanbao; Zhu, Hesun; Lu, Qiang

2015-03-20

Hierarchical olive-like structured carbon-Fe3O4 nanocomposite particles composed of a hollow interior and a carbon coated surface are prepared by a facile, silk protein-assisted hydrothermal method. Silk nanofibers as templates and carbon precursors first regulate the formation of hollow Fe2O3 microspheres and then they are converted into carbon by a reduction process into Fe3O4. This process significantly simplifies the fabrication and carbon coating processes to form complex hollow structures. When tested as anode materials for lithium-ion batteries, these hollow carbon-coated particles exhibit high capacity (900 mAh g(-1)), excellent cycle stability (180 cycles) and rate performance due to their unique hierarchical hollow structure and carbon coating.

Real-space visualization of conformation-independent oligothiophene electronic structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taber, Benjamen N.; Kislitsyn, Dmitry A.; Gervasi, Christian F.

2016-05-21

We present scanning tunneling microscopy and spectroscopy (STM/STS) investigations of the electronic structures of different alkyl-substituted oligothiophenes on the Au(111) surface. STM imaging showed that on Au(111), oligothiophenes adopted distinct straight and bent conformations. By combining STS maps with STM images, we visualize, in real space, particle-in-a-box-like oligothiophene molecular orbitals. We demonstrate that different planar conformers with significant geometrical distortions of oligothiophene backbones surprisingly exhibit very similar electronic structures, indicating a low degree of conformation-induced electronic disorder. The agreement of these results with gas-phase density functional theory calculations implies that the oligothiophene interaction with the Au(111) surface is generally insensitivemore » to molecular conformation.« less

Potential Benefits of Manmade Opals Demonstrated for First Time (Fact Sheet)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

NREL experiments show that disordered inverse opals significantly scatter and trap near-infrared light, with possible impact on optoelectronic materials. Inverse opals, familiar in the form of brilliantly colored opal gemstones, are a class of materials that has astounding optical properties. Scientists have been exploring the ability of inverse opals to manipulate light in the hopes of harnessing this capacity for advanced technologies such as displays, detectors, lasers, and photovoltaics. A research group at the National Renewable Energy Laboratory (NREL) discovered that man-made inverse opal films containing significant morphological disorder exhibit substantial light scattering, consequently trapping wavelengths in the near-infrared (NIR),more » which is important to a number of technologies. This discovery is the first experimental evidence to validate a 2005 theoretical model predicting the confinement of light in such structures, and it holds great promise for improving the performance of technologies that rely on careful light control. This breakthrough also makes possible optoelectronic technologies that use a range of low-cost molecular and semiconductor species that otherwise absorb light too weakly to be useful. The disordered inverse opal architecture validates the theoretical model that predicts the diffusion and confinement of light in such structures. Electrochemically deposited CdSe inverse opal films containing significant morphological disorder exhibit substantial light scattering and consequent NIR light trapping. This discovery holds promise for NIR light management in optoelectronic technologies, particularly those involving weakly absorbing molecular and semiconductor photomaterials.« less

Multisensory integration in the basal ganglia.

PubMed

Nagy, Attila; Eördegh, Gabriella; Paróczy, Zsuzsanna; Márkus, Zita; Benedek, György

2006-08-01

Sensorimotor co-ordination in mammals is achieved predominantly via the activity of the basal ganglia. To investigate the underlying multisensory information processing, we recorded the neuronal responses in the caudate nucleus (CN) and substantia nigra (SN) of anaesthetized cats to visual, auditory or somatosensory stimulation alone and also to their combinations, i.e. multisensory stimuli. The main goal of the study was to ascertain whether multisensory information provides more information to the neurons than do the individual sensory components. A majority of the investigated SN and CN multisensory units exhibited significant cross-modal interactions. The multisensory response enhancements were either additive or superadditive; multisensory response depressions were also detected. CN and SN cells with facilitatory and inhibitory interactions were found in each multisensory combination. The strengths of the multisensory interactions did not differ in the two structures. A significant inverse correlation was found between the strengths of the best unimodal responses and the magnitudes of the multisensory response enhancements, i.e. the neurons with the weakest net unimodal responses exhibited the strongest enhancement effects. The onset latencies of the responses of the integrative CN and SN neurons to the multisensory stimuli were significantly shorter than those to the unimodal stimuli. These results provide evidence that the multisensory CN and SN neurons, similarly to those in the superior colliculus and related structures, have the ability to integrate multisensory information. Multisensory integration may help in the effective processing of sensory events and the changes in the environment during motor actions controlled by the basal ganglia.

Gradual multifractal reconstruction of time-series: Formulation of the method and an application to the coupling between stock market indices and their Hölder exponents

NASA Astrophysics Data System (ADS)

Keylock, Christopher J.

2018-04-01

A technique termed gradual multifractal reconstruction (GMR) is formulated. A continuum is defined from a signal that preserves the pointwise Hölder exponent (multifractal) structure of a signal but randomises the locations of the original data values with respect to this (φ = 0), to the original signal itself(φ = 1). We demonstrate that this continuum may be populated with synthetic time series by undertaking selective randomisation of wavelet phases using a dual-tree complex wavelet transform. That is, the φ = 0 end of the continuum is realised using the recently proposed iterated, amplitude adjusted wavelet transform algorithm (Keylock, 2017) that fully randomises the wavelet phases. This is extended to the GMR formulation by selective phase randomisation depending on whether or not the wavelet coefficient amplitudes exceeds a threshold criterion. An econophysics application of the technique is presented. The relation between the normalised log-returns and their Hölder exponents for the daily returns of eight financial indices are compared. One particularly noticeable result is the change for the two American indices (NASDAQ 100 and S&P 500) from a non-significant to a strongly significant (as determined using GMR) cross-correlation between the returns and their Hölder exponents from before the 2008 crash to afterwards. This is also reflected in the skewness of the phase difference distributions, which exhibit a geographical structure, with Asian markets not exhibiting significant skewness in contrast to those from elsewhere globally.

Material-dependent and material-independent selection processes in the frontal and parietal lobes: an event-related fMRI investigation of response competition

NASA Technical Reports Server (NTRS)

Hazeltine, Eliot; Bunge, Silvia A.; Scanlon, Michael D.; Gabrieli, John D E.

2003-01-01

The present study used the flanker task [Percept. Psychophys. 16 (1974) 143] to identify neural structures that support response selection processes, and to determine which of these structures respond differently depending on the type of stimulus material associated with the response. Participants performed two versions of the flanker task while undergoing event-related functional magnetic resonance imaging (fMRI). Both versions of the task required participants to respond to a central stimulus regardless of the responses associated with simultaneously presented flanking stimuli, but one used colored circle stimuli and the other used letter stimuli. Competition-related activation was identified by comparing Incongruent trials, in which the flanker stimuli indicated a different response than the central stimulus, to Neutral stimuli, in which the flanker stimuli indicated no response. A region within the right inferior frontal gyrus exhibited significantly more competition-related activation for the color stimuli, whereas regions within the middle frontal gyri of both hemispheres exhibited more competition-related activation for the letter stimuli. The border of the right middle frontal and inferior frontal gyri and the anterior cingulate cortex (ACC) were significantly activated by competition for both types of stimulus materials. Posterior foci demonstrated a similar pattern: left inferior parietal cortex showed greater competition-related activation for the letters, whereas right parietal cortex was significantly activated by competition for both materials. These findings indicate that the resolution of response competition invokes both material-dependent and material-independent processes.

Substitutional impact on biological activity of new water soluble Ni(II) complexes: Preparation, spectral characterization, X-ray crystallography, DNA/protein binding, antibacterial activity and in vitro cytotoxicity.

PubMed

Umadevi, C; Kalaivani, P; Puschmann, H; Murugan, S; Mohan, P S; Prabhakaran, R

2017-02-01

A series of new water soluble nickel(II) complexes containing triphenylphosphine and 4-methoxysalicylaldehyde-4(N)-substituted thiosemicarbazones were synthesized and characterized. Crystallographic investigations confirmed the structure of the complexes (1-4) having the general structure [Ni(4-Msal-Rtsc)(PPh 3 )] (Where R=H (1); CH 3 (2); C 2 H 5 (3); C 6 H 5 (4)) which showed that thiosemicarbazone ligands coordinated to nickel(II) ion as ONS tridentate bibasic donor. DNA/BSA protein binding ability of the ligands and their new complexes were studied by taking calf-thymus DNA (CT-DNA) and Bovine serum albumin (BSA) through absorption and emission titrations. Ethidium bromide (EB) displacement study showed the intercalative binding trend of the complexes to DNA. From the albumin binding studies, the mechanism of quenching was found as static and the alterations in the secondary structure of BSA by the compounds were confirmed with synchronous spectral studies. The binding affinity of the complexes to CT-DNA and BSA has the order of [Ni(4-Msal-etsc)(PPh 3 )] (3) >[Ni(4-Msal-mtsc)(PPh 3 )] (2) >[Ni(4-Msal-tsc)(PPh 3 )] (1) >[Ni(4-Msal-ptsc)(PPh 3 )] (4). In vitro cytotoxicity of the complexes was tested on human lung cancer cells (A549), human cervical cancer cells (HeLa), human liver carcinoma cells (Hep G2). All the complexes exhibited significant activity against three cancer cells. Among them, complex 4 exhibited almost 2.5 fold activity than cisplatin in A549 and HepG2 cell lines. In HeLa cell line, the complexes exhibited significant activity which is less than cisplatin. While comparing the activity of the complexes in A549 and HepG2 cell lines it falls in the order 4>1>2>3>cisplatin. The results obtained from DNA, protein binding and cytotoxicity studies, it is concluded that the cytotoxicity of the complexes as determined by MTT assay were not unduly influenced by the complexes having different binding efficiency with DNA and protein. The complexes exhibited good spectrum of antibacterial activity against four pathogenic bacteria such as E. faecalis (gram +ve), S. aureus (gram +ve), E. coli (gram -ve) and P. aeruginosa (gram -ve). Copyright © 2016 Elsevier B.V. All rights reserved.

A finite element analysis of a 3D auxetic textile structure for composite reinforcement

NASA Astrophysics Data System (ADS)

Ge, Zhaoyang; Hu, Hong; Liu, Yanping

2013-08-01

This paper reports the finite element analysis of an innovative 3D auxetic textile structure consisting of three yarn systems (weft, warp and stitch yarns). Different from conventional 3D textile structures, the proposed structure exhibits an auxetic behaviour under compression and can be used as a reinforcement to manufacture auxetic composites. The geometry of the structure is first described. Then a 3D finite element model is established using ANSYS software and validated by the experimental results. The deformation process of the structure at different compression strains is demonstrated, and the validated finite element model is finally used to simulate the auxetic behaviour of the structure with different structural parameters and yarn properties. The results show that the auxetic behaviour of the proposed structure increases with increasing compression strain, and all the structural parameters and yarn properties have significant effects on the auxetic behaviour of the structure. It is expected that the study could provide a better understanding of 3D auxetic textile structures and could promote their application in auxetic composites.

Functional evolution and structural conservation in chimeric cytochromes p450: calibrating a structure-guided approach.

PubMed

Otey, Christopher R; Silberg, Jonathan J; Voigt, Christopher A; Endelman, Jeffrey B; Bandara, Geethani; Arnold, Frances H

2004-03-01

Recombination generates chimeric proteins whose ability to fold depends on minimizing structural perturbations that result when portions of the sequence are inherited from different parents. These chimeric sequences can display functional properties characteristic of the parents or acquire entirely new functions. Seventeen chimeras were generated from two CYP102 members of the functionally diverse cytochrome p450 family. Chimeras predicted to have limited structural disruption, as defined by the SCHEMA algorithm, displayed CO binding spectra characteristic of folded p450s. Even this small population exhibited significant functional diversity: chimeras displayed altered substrate specificities, a wide range in thermostabilities, up to a 40-fold increase in peroxidase activity, and ability to hydroxylate a substrate toward which neither parent heme domain shows detectable activity. These results suggest that SCHEMA-guided recombination can be used to generate diverse p450s for exploring function evolution within the p450 structural framework.

Negative thermal expansion near two structural quantum phase transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Occhialini, Connor A.; Handunkanda, Sahan U.; Said, Ayman

Recent experimental work has revealed that the unusually strong, isotropic structural negative thermal expansion in cubic perovskite ionic insulator ScF3 occurs in excited states above a ground state tuned very near a structural quantum phase transition, posing a question of fundamental interest as to whether this special circumstance is related to the anomalous behavior. To test this hypothesis, we report an elastic and inelastic x-ray scattering study of a second system Hg2I2 also tuned near a structural quantum phase transition while retaining stoichiometric composition and high crystallinity. We find similar behavior and significant negative thermal expansion below 100 K formore » dimensions along the body-centered-tetragonal c axis, bolstering the connection between negative thermal expansion and zero-temperature structural transitions.We identify the common traits between these systems and propose a set of materials design principles that can guide discovery of newmaterials exhibiting negative thermal expansion« less

Negative thermal expansion near two structural quantum phase transitions

NASA Astrophysics Data System (ADS)

Occhialini, Connor A.; Handunkanda, Sahan U.; Said, Ayman; Trivedi, Sudhir; Guzmán-Verri, G. G.; Hancock, Jason N.

2017-12-01

Recent experimental work has revealed that the unusually strong, isotropic structural negative thermal expansion in cubic perovskite ionic insulator ScF3 occurs in excited states above a ground state tuned very near a structural quantum phase transition, posing a question of fundamental interest as to whether this special circumstance is related to the anomalous behavior. To test this hypothesis, we report an elastic and inelastic x-ray scattering study of a second system Hg2I2 also tuned near a structural quantum phase transition while retaining stoichiometric composition and high crystallinity. We find similar behavior and significant negative thermal expansion below 100 K for dimensions along the body-centered-tetragonal c axis, bolstering the connection between negative thermal expansion and zero-temperature structural transitions. We identify the common traits between these systems and propose a set of materials design principles that can guide discovery of new materials exhibiting negative thermal expansion.

Monocrystalline platinum-nickel branched nanocages with enhanced catalytic performance towards the hydrogen evolution reaction.

PubMed

Cao, Zhenming; Li, Huiqi; Zhan, Chenyang; Zhang, Jiawei; Wang, Wei; Xu, Binbin; Lu, Fa; Jiang, Yaqi; Xie, Zhaoxiong; Zheng, Lansun

2018-03-15

Single crystalline noble metal nanocages are the most promising candidates for heterogeneous catalysis due to their large specific surface area, well-defined structure and enhanced structural stability. Herein, based on the observation of an unexpected phenomenon that the alloying of Pt and transition metals by co-reduction is more preferential than the formation of pure Pt NCs, we propose a feasible one-pot strategy to synthesize a uniformly epitaxial core-shell Pt-Ni structure with a Ni-rich alloy as the core and a Pt-rich alloy as the shell. The as-prepared Pt-Ni core-shell structures are subsequently etched into monocrystalline Pt-Ni branched nanocages with the wall thickness being 2.8 nm. This unique structure exhibits excellent catalytic performance and stability for the hydrogen evolution reaction (HER) in alkaline solution which is of great significance for the energy-intensive water-alkali and chlor-alkali industry.

Peculiar Feldspar And Quartz Inclusions Within Zircons From Anorthosites, North Eastern Desert, Egypt

NASA Astrophysics Data System (ADS)

Eliwa, H. A.; Dawoud, M. I.; Khalaf, I. M.; Negendank, J. F.; Itaya, T.

2004-12-01

Zircons from three anorthosite outcrops along Wadi Dib area, north Eastern Desert of Egypt contain abundant and conspicuous inclusions of quartz, feldspar, amphibole and apatite. These anorthosites, as (50-100m thick) layers, represent the top of mafic-ultramafic intrusions exhibiting rhythmic layering visible by reputation of melanocratic and leucocratic layers. Field and microscopic studies exhibit that these anorthosites were affected by the action of residual magmatic solutions associated with the late stage crystallization of the younger granites, which modified their mineralogical composition. They are composed totally of plagioclase with subordinate amount of clinoenstatite, augite, amphibole, biotite, K-feldspar, and quartz. Accessories are magnetite, ilmenite, apatite and zircon. The abundance and the mode of occurrence of K-feldspar, quartz, and biotite with apatite and zircon among the megacrysts suggest their formation is ascribed to the interaction with the residual solutions. The microprobe data exhibit difference between feldspar and amphiboles contained herein zircons and those as anorthosite mineral constituents. The genetic relationship between zircons and their inclusions suggests later growth of zircons than inclusions and most probably at the final stage of rock modification. Zircons are magmatic and found in the interstitial feldspar and quartz among plagioclase megacrysts in aggregates or as individual grains. The microscopic and SEM images investigation exhibit that most zircons are subhedral to euhedral equant and prismatic crystals. Most zircons have same range of crystal morphologies and internal growth structures with predominance of prism /{100/} and pyramid /{101/} and occasionally prism /{110/} and pyramid /{111/}. No evidences for poly-faceted grains, inherited cores or later overgrowths were detected. CL images distinguished zircons with visible core-rim structures and others with regular and continuous growth zones contained herein various inclusions. The dark CL cores in the core-rim structured zircons are higher in U, Y and sometimes Hf relative to the CL bright rims. Microprobe data and x-ray chemical mapping of various zoned zircons suggest that U and Y with sometimes Hf have a negative correlation to the CL brightness, while Th doesn't exhibit any significant correlation.

Topological Optimization of Artificial Microstructure Strategies

DTIC Science & Technology

2015-04-02

a 3D microstructural architecture structure made from bulk metallic glass , 3DMGS, exhibiting a combination of ceramic-like high strength (>1000 MPa...Research Triangle Park, NC 27709-2211 materials, cellular structures, metallic glass REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S...demonstrate a 3D microstructural architecture structure made from bulk metallic glass , 3DMGS, exhibiting a combination of ceramic-like high strength

EXAMINING THE PREFERENCE FOR SHADE STRUCTURES IN FARMED GREEN SEA TURTLES (CHELONIA MYDAS) AND SHADE'S EFFECT ON GROWTH AND TEMPERATURES.

PubMed

Keller, Martha; Mustin, Walter

2017-03-01

The Cayman Turtle Farm raises thousands of green sea turtles ( Chelonia mydas ) annually under aquaculture conditions. Historically, the turtles have been raised in tanks without routine access to a shade structure. The purpose of this study was to determine the effects of adding a shade structure on curved carapace length (CCL) and weight gain of green sea turtles. In addition, water and cloacal temperatures were compared across treatment groups and shade cover preferences observed. Ninety turtles were split equally into three treatment groups for this 8-wk study. In the first group turtles were kept in tanks in full sun, the second group in half-shaded tanks, and the third group in tanks completely covered with shade cloth. Time-lapse cameras mounted above half-shaded tanks were used to determine turtle shade structure preferences throughout the day. There were no differences in CCL among treatment groups. Significant increases in weights were noted in turtles kept in full sun and half-shaded tanks versus the fully shaded tanks. Significantly higher water and cloacal turtle temperatures were noted in the full-sun tank compared with the half-shaded or completely shaded tanks. A significantly lower number of turtles was observed in the sun in the half-shaded tanks, indicating a possible preference by turtles for a shade structure. Results suggest that providing shade structures for sea turtles results in a significant decrease in both overall water temperature as well as a reduction in maximum high daily temperatures. Results also suggest that turtles exhibit a preference for shade structures when it is provided as an option. From these results, we recommend that a shade structure be provided when housing green sea turtles in outdoor enclosures.

Multifunctional Nanotube Polymer Nanocomposites for Aerospace Applications: Adhesion between SWCNT and Polymer Matrix

NASA Technical Reports Server (NTRS)

Park, Cheol; Wise, Kristopher E.; Kang, Jin Ho; Kim, Jae-Woo; Sauti, Godfrey; Lowther, Sharon E.; Lillehei, Peter T.; Smith, Michael W.; Siochi, Emilie J.; Harrison, Joycelyn S.;

Mechanochemical formation of heterogeneous diamond structures during rapid uniaxial compression in graphite

NASA Astrophysics Data System (ADS)

Kroonblawd, Matthew P.; Goldman, Nir

2018-05-01

We predict mechanochemical formation of heterogeneous diamond structures from rapid uniaxial compression in graphite using quantum molecular dynamics simulations. Ensembles of simulations reveal the formation of different diamondlike products starting from thermal graphite crystal configurations. We identify distinct classes of final products with characteristic probabilities of formation, stress states, and electrical properties and show through simulations of rapid quenching that these products are nominally stable and can be recovered at room temperature and pressure. Some of the diamond products exhibit significant disorder and partial closure of the energy gap between the highest-occupied and lowest-unoccupied molecular orbitals (i.e., the HOMO-LUMO gap). Seeding atomic vacancies in graphite significantly biases toward forming products with small HOMO-LUMO gap. We show that a strong correlation between the HOMO-LUMO gap and disorder in tetrahedral bonding configurations informs which kinds of structural defects are associated with gap closure. The rapid diffusionless transformation of graphite is found to lock vacancy defects into the final diamond structure, resulting in configurations that prevent s p3 bonding and lead to localized HOMO and LUMO states with a small gap.

Nano-sculptured Janus-like TiAg thin films obliquely deposited by GLAD co-sputtering for temperature sensing.

PubMed

Pedrosa, Paulo; Ferreira, Armando; Martin, Nicolas; Arab Pour Yazdi, Mohammad; Billard, Alain; Lanceros-Mendez, Senentxu; Vaz, Filipe

2018-06-11

Inclined, zigzag and spiral TiAg films were prepared by GLancing Angle Deposition (GLAD), using two distinct Ti and Ag targets with a particle incident angle of 80º and Ag contents ranging from 20 to 75 at. %. The effect of increasing Ag incorporation and columnar architecture change on the morphological, structural and electrical properties of the films was investigated. It is shown that inclined columnar features (β = 47º) with high porosity were obtained for 20 at. % Ag, with the column angle sharply decreasing (β = 21º) for 50 at. % Ag, and steeply increasing afterwards until 37º for the film with 75 at. % Ag. The sputtered films exhibit a rather well-crystallized structure for Ag contents ≥ 50 at. %, with a TiAg (111) preferential growth. No significant oxidation was detected in all films, except for the one with 20 at. % Ag, after two 298-473-298 K temperature cycles in air. The calculated temperature coefficient of resistivity (TCR) values vary between 1.4 and 5.5×10-4 K-1. Nano-sculptured spiral films exhibit consistently higher resistivity (ρ = 1.5×10-6 Ω m) and TCR values (2.9×10-4 K-1) than the inclined one with the same Ag content (ρ = 1.2×10-6 Ω m and TCR = 2.0×10-4 K-1). No significant changes are observed in the zigzag films concerning these properties. The effective anisotropy Aeff at 473 K changes from 1.3 to 1.7 for the inclined films. Spiral films exhibit an almost completely isotropic behavior with Aeff = 1.1. Ag-rich TiAg core + shell Janus-like columns were obtained with increasing Ag concentrations. © 2018 IOP Publishing Ltd.

Revelations from a single strong-motion record retreived during the 27 June 1998 Adana (Turkey) earthquake

USGS Publications Warehouse

Celebi, M.

2000-01-01

During the 27 June 1998 Adana (Turkey) earthquake, only one strong-motion record was retrieved in the region where the most damage occurred. This single record from the station in Ceyhan, approximately 15 km from the epicenter of that earthquake, exhibits characteristics that are related to the dominant frequencies of the ground and structures. The purpose of this paper is to explain the causes of the damage as inferred from both field observations and the characteristics of a single strong-motion record retrieved from the immediate epicentral area. In the town of Ceyhan there was considerable but selective damage to a significant number of mid-rise (7-12 stories high) buildings. The strong-motion record exhibits dominant frequencies that are typically similar for the mid-rise building structures. This is further supported by spectral ratios derived using Nakamura's method [QR of RTRI, 30 (1989) 25] that facilitates computation of a spectral ratio from a single tri-axial record as the ratio of amplitude spectrum of horizontal component to that of the vertical component [R = H(f)/V(f)]. The correlation between the damage and the characteristics exhibited from the single strong-motion record is remarkable. Although deficient construction practices played a significant role in the extent of damage to the mid-rise buildings, it is clear that site resonance also contributed to the detrimental fate of most of the mid-rise buildings. Therefore, even a single record can be useful to explain the effect of site resonance on building response and performance. Such information can be very useful for developing zonation criteria in similar alluvial valleys. Published by Elsevier Science Ltd.

CdO as the archetypical transparent conducting oxide. Systematics of dopant ionic radius and electronic structure effects on charge transport and band structure.

PubMed

Yang, Yu; Jin, Shu; Medvedeva, Julia E; Ireland, John R; Metz, Andrew W; Ni, Jun; Hersam, Mark C; Freeman, Arthur J; Marks, Tobin J

2005-06-22

A series of yttrium-doped CdO (CYO) thin films have been grown on both amorphous glass and single-crystal MgO(100) substrates at 410 degrees C by metal-organic chemical vapor deposition (MOCVD), and their phase structure, microstructure, electrical, and optical properties have been investigated. XRD data reveal that all as-deposited CYO thin films are phase-pure and polycrystalline, with features assignable to a cubic CdO-type crystal structure. Epitaxial films grown on single-crystal MgO(100) exhibit biaxial, highly textured microstructures. These as-deposited CYO thin films exhibit excellent optical transparency, with an average transmittance of >80% in the visible range. Y doping widens the optical band gap from 2.86 to 3.27 eV via a Burstein-Moss shift. Room temperature thin film conductivities of 8,540 and 17,800 S/cm on glass and MgO(100), respectively, are obtained at an optimum Y doping level of 1.2-1.3%. Finally, electronic band structure calculations are carried out to systematically compare the structural, electronic, and optical properties of the In-, Sc-, and Y-doped CdO systems. Both experimental and theoretical results reveal that dopant ionic radius and electronic structure have a significant influence on the CdO-based TCO crystal and band structure: (1) lattice parameters contract as a function of dopant ionic radii in the order Y (1.09 A) < In (0.94 A) < Sc (0.89 A); (2) the carrier mobilities and doping efficiencies decrease in the order In > Y > Sc; (3) the dopant d state has substantial influence on the position and width of the s-based conduction band, which ultimately determines the intrinsic charge transport characteristics.

Structural Transition and Electrical Properties of (1 - x)(Na0.4K0.1Bi0.5)TiO3- xSrTiO3 Lead-Free Piezoceramics

NASA Astrophysics Data System (ADS)

Liu, Xing; Zhai, Jiwei; Shen, Bo; Li, Feng; Li, Peng

2017-10-01

(1 - x)(Na0.4K0.1Bi0.5)TiO3- xSrTiO3 (NKBT- xST) ceramics with x = 0 mol.%, 3 mol.%, and 5 mol.% (0ST, 3ST, and 5ST) have been prepared by a conventional solid-state reaction method and their ferroelectric, electrostrictive, and pyroelectric properties investigated. Addition of ST considerably disrupted the long-range ferroelectric order of NKBT- xST ceramics, and the 5ST ceramic exhibited ergodic relaxor phase structure. T FR shifted to near or below room temperature for 5ST ceramic, accompanied by a significant decline of ferroelectricity and enhanced strain. As the temperature approached T FR, the NKBT- xST ceramics exhibited predominantly electrostrictive effect, and the 5ST ceramic presented relatively high electrostrictive coefficient Q 33 of 0.0193 m4/C2. High pyroelectric response was observed for 0ST, 3ST, and 5ST ceramics in the vicinity of T FR due to the large polarization release during the ferroelectric-relaxor structural transition. The 5ST ceramic exhibited high and frequency-insensitive (100 Hz to 10 kHz) room-temperature pyroelectric properties with pyroelectric coefficient p of 656 μC m-2 K-1 and figures of merit F i, F v, and F d reaching 233 pm/V, 0.013 m2/C, and 7.61 μPa-1/2, respectively, indicating that 5ST ceramic is a promising candidate to replace PZT-based ceramics.

Species associations overwhelm abiotic conditions to dictate the structure and function of wood-decay fungal communities.

PubMed

Maynard, Daniel S; Covey, Kristofer R; Crowther, Thomas W; Sokol, Noah W; Morrison, Eric W; Frey, Serita D; van Diepen, Linda T A; Bradford, Mark A

2018-04-01

Environmental conditions exert strong controls on the activity of saprotrophic microbes, yet abiotic factors often fail to adequately predict wood decomposition rates across broad spatial scales. Given that species interactions can have significant positive and negative effects on wood-decay fungal activity, one possibility is that biotic processes serve as the primary controls on community function, with abiotic controls emerging only after species associations are accounted for. Here we explore this hypothesis in a factorial field warming- and nitrogen-addition experiment by examining relationships among wood decomposition rates, fungal activity, and fungal community structure. We show that functional outcomes and community structure are largely unrelated to abiotic conditions, with microsite and plot-level abiotic variables explaining at most 19% of the total variability in decomposition and fungal activity, and 2% of the variability in richness and evenness. In contrast, taxonomic richness, evenness, and species associations (i.e., co-occurrence patterns) exhibited strong relationships with community function, accounting for 52% of the variation in decomposition rates and 73% in fungal activity. A greater proportion of positive vs. negative species associations in a community was linked to strong declines in decomposition rates and richness. Evenness emerged as a key mediator between richness and function, with highly even communities exhibiting a positive richness-function relationship and uneven communities exhibiting a negative or null response. These results suggest that community-assembly processes and species interactions are important controls on the function of wood-decay fungal communities, ultimately overwhelming substantial differences in abiotic conditions. © 2018 by the Ecological Society of America.

Pollen structure and development in Nymphaeales: insights into character evolution in an ancient angiosperm lineage.

PubMed

Taylor, Mackenzie L; Cooper, Ranessa L; Schneider, Edward L; Osborn, Jeffrey M

2015-10-01

A knowledge of pollen characters in early-diverging angiosperm lineages is essential for understanding pollen evolution and the role of pollen in angiosperm diversification. In this paper, we report and synthesize data on mature pollen and pollen ontogeny from all genera of Nymphaeales within a comparative, phylogenetic context and consider pollen evolution in this early-diverging angiosperm lineage. We describe mature pollen characters for Euryale, Barclaya, and Nymphaea ondinea, taxa for which little to no structural data exist. We studied mature pollen for all nymphaealean genera using light, scanning electron, and transmission electron microscopy. We reviewed published reports of nymphaealean pollen to provide a comprehensive discussion of pollen characters in water lilies. Nymphaeales exhibit diversity in key pollen characters, including dispersal unit size, ornamentation, aperture morphology, and tapetum type. All Nymphaeales pollen are tectate-columellate, exhibiting one of two distinct patterns of infratectal ultrastructure-a thick infratectal space with robust columellae or a thin infratectal space with thin columellae. All genera have pollen with a lamellate endexine that becomes compressed in the proximal, but not distal wall. This endexine ultrastructure supports the operculate hypothesis for aperture origin. Nymphaeaceae pollen exhibit a membranous granular layer, which is a synapomorphy of the family. Variation in pollen characters indicates that significant potential for lability in pollen development was present in Nymphaeales at the time of its divergence from the rest of angiosperms. Structural and ontogenetic data are essential for interpreting pollen characters, such as infratectum and endexine ultrastructure in Nymphaeales. © 2015 Botanical Society of America.

New 2-arylbenzofuran metabolite from cell cultures of Morus alba.

PubMed

Zhang, De-Wu; Tao, Xiao-Yu; Yu, Li-Yan; Dai, Jun-Gui

2015-01-01

A new 2-arylbenzofuran compound, 5-dehydroxy-moracin U (1), along with 10 known compounds (2-11), were isolated from cell cultures of Morus alba. Their structures were elucidated on the basis of extensive spectroscopic analyses. The anti-inflammatory activity assay of 1-8 showed that 2 and 8 exhibited significant inhibitory effect on LPS-induced NO production with the values of 76.4% and 98.7% at 10(- 5) M, respectively.

A cytotoxic cyclic heptapeptide from the seeds of Annona cherimola.

PubMed

Wélé, Alassane; Zhang, Yanjun; Ndoye, Idrissa; Brouard, Jean-Paul; Pousset, Jean-Louis; Bodo, Bernard

2004-09-01

From a methanol extract of the seeds of Annona cherimola, a new cyclic heptapeptide, cherimolacyclopeptide C, has been isolated. The structure was elucidated on the basis of the MS/MS fragmentation using a Q-TOF mass spectrometer equipped with an ESI source, extensive 2D NMR experiments, and chemical degradation. Cherimolacyclopeptide C exhibited significant in vitro cytotoxic activity against KB cells, with an IC(50) value of 0.072 microM.

Evidence for cluster shape effects on the kinetic energy spectrum in thermionic emission.

PubMed

Calvo, F; Lépine, F; Baguenard, B; Pagliarulo, F; Concina, B; Bordas, C; Parneix, P

2007-11-28

Experimental kinetic energy release distributions obtained for the thermionic emission from C(n) (-) clusters, 10< or =n< or =20, exhibit significant non-Boltzmann variations. Using phase space theory, these different features are analyzed and interpreted as the consequence of contrasting shapes in the daughter clusters; linear and nonlinear isomers have clearly distinct signatures. These results provide a novel indirect structural probe for atomic clusters associated with their thermionic emission spectra.

Anatomy of an experimental two-link flexible manipulator under end-point control

NASA Technical Reports Server (NTRS)

Oakley, Celia M.; Cannon, Robert H., Jr.

1990-01-01

The design and experimental implementation of an end-point controller for two-link flexible manipulators are presented. The end-point controller is based on linear quadratic Gaussian (LQG) theory and is shown to exhibit significant improvements in trajectory tracking over a conventional controller design. To understand the behavior of the manipulator structure under end-point control, a strobe sequence illustrating the link deflections during a typical slew maneuver is included.

Hierarchical NiCo2 O4 nanosheets grown on Ni nanofoam as high-performance electrodes for supercapacitors.

PubMed

Gao, Guoxin; Wu, Hao Bin; Ding, Shujiang; Liu, Li-Min; Lou, Xiong Wen David

2015-02-18

A high-performance electrode for supercapacitors is designed and synthesized by growing electroactive NiCo2 O4 nanosheets on conductive Ni nanofoam. Because of the structural advantages, the as-prepared Ni@NiCo2 O4 hybrid nanostructure exhibits significantly improved electrochemical performance with high capacitance, excellent rate capability, and good cycling stability. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structural and magnetic transitions in spinel FeM n 2 O 4 single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nepal, Roshan; Zhang, Qiang; Dai, Samuel

Materials that form the spinel structure are known to exhibit geometric frustration, which can lead to magnetic frustration as well. Through magnetization and neutron diffraction measurements, we find that FeMn 2O 4 undergoes one structural and two magnetic transitions. The structural transition occurs at T s ~595K from cubic at high temperatures to tetragonal at low temperatures. Here, two magnetic transitions are ferrimagnetic at T FI–1 ~373K and T FI–2 ~50K, respectively. Further investigation of the specific heat, thermal conductivity, and Seebeck coefficient confirms both magnetic transitions. Of particular interest is that there is a significant magnetic contribution to themore » low-temperature specific heat and thermal conductivity, providing a unique system to study heat transport by magnetic excitations.« less

A Feature-based Developmental Model of the Infant Brain in Structural MRI

PubMed Central

Toews, Matthew; Wells, William M.; Zöllei, Lilla

2014-01-01

In this paper, anatomical development is modeled as a collection of distinctive image patterns localized in space and time. A Bayesian posterior probability is defined over a random variable of subject age, conditioned on data in the form of scale-invariant image features. The model is automatically learned from a large set of images exhibiting significant variation, used to discover anatomical structure related to age and development, and fit to new images to predict age. The model is applied to a set of 230 infant structural MRIs of 92 subjects acquired at multiple sites over an age range of 8-590 days. Experiments demonstrate that the model can be used to identify age-related anatomical structure, and to predict the age of new subjects with an average error of 72 days. PMID:23286050

Structural and magnetic transitions in spinel FeM n 2 O 4 single crystals

DOE PAGES

Nepal, Roshan; Zhang, Qiang; Dai, Samuel; ...

2018-01-11

Materials that form the spinel structure are known to exhibit geometric frustration, which can lead to magnetic frustration as well. Through magnetization and neutron diffraction measurements, we find that FeMn 2O 4 undergoes one structural and two magnetic transitions. The structural transition occurs at T s ~595K from cubic at high temperatures to tetragonal at low temperatures. Here, two magnetic transitions are ferrimagnetic at T FI–1 ~373K and T FI–2 ~50K, respectively. Further investigation of the specific heat, thermal conductivity, and Seebeck coefficient confirms both magnetic transitions. Of particular interest is that there is a significant magnetic contribution to themore » low-temperature specific heat and thermal conductivity, providing a unique system to study heat transport by magnetic excitations.« less

Biomolecular interactions modulate macromolecular structure and dynamics in atomistic model of a bacterial cytoplasm

PubMed Central

Yu, Isseki; Mori, Takaharu; Ando, Tadashi; Harada, Ryuhei; Jung, Jaewoon; Sugita, Yuji; Feig, Michael

2016-01-01

Biological macromolecules function in highly crowded cellular environments. The structure and dynamics of proteins and nucleic acids are well characterized in vitro, but in vivo crowding effects remain unclear. Using molecular dynamics simulations of a comprehensive atomistic model cytoplasm we found that protein-protein interactions may destabilize native protein structures, whereas metabolite interactions may induce more compact states due to electrostatic screening. Protein-protein interactions also resulted in significant variations in reduced macromolecular diffusion under crowded conditions, while metabolites exhibited significant two-dimensional surface diffusion and altered protein-ligand binding that may reduce the effective concentration of metabolites and ligands in vivo. Metabolic enzymes showed weak non-specific association in cellular environments attributed to solvation and entropic effects. These effects are expected to have broad implications for the in vivo functioning of biomolecules. This work is a first step towards physically realistic in silico whole-cell models that connect molecular with cellular biology. DOI: http://dx.doi.org/10.7554/eLife.19274.001 PMID:27801646

Effects of citric acid esterification on digestibility, structural and physicochemical properties of cassava starch.

PubMed

Mei, Ji-Qiang; Zhou, Da-Nian; Jin, Zheng-Yu; Xu, Xue-Ming; Chen, Han-Qing

2015-11-15

In this study, citric acid was used to react with cassava starch in order to compare the digestibility, structural and physicochemical properties of citrate starch samples. The results indicated that citric acid esterification treatment significantly increased the content of resistant starch (RS) in starch samples. The swelling power and solubility of citrate starch samples were lower than those of native starch. Compared with native starch, a new peak at 1724 cm(-1) was appeared in all citrate starch samples, and crystalline peaks of all starch citrates became much smaller or even disappeared. Differential scanning calorimetry results indicated that the endothermic peak of citrate starches gradually shrank or even disappeared. Moreover, the citrate starch gels exhibited better freeze-thaw stability. These results suggested that citric acid esterification induced structural changes in cassava starch significantly affected its digestibility and it could be a potential method for the preparation of RS with thermal stability. Copyright © 2015 Elsevier Ltd. All rights reserved.

Packaging and structural phenotype of brome mosaic virus capsid protein with altered N-terminal {beta}-hexamer structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wispelaere, Melissanne de; Chaturvedi, Sonali; Wilkens, Stephan

2011-10-10

The first 45 amino acid region of brome mosaic virus (BMV) capsid protein (CP) contains RNA binding and structural domains that are implicated in the assembly of infectious virions. One such important structural domain encompassing amino acids {sup 28}QPVIV{sup 32}, highly conserved between BMV and cowpea chlorotic mottle virus (CCMV), exhibits a {beta}-hexamer structure. In this study we report that alteration of the {beta}-hexamer structure by mutating {sup 28}QPVIV{sup 32} to {sup 28}AAAAA{sup 32} had no effect either on symptom phenotype, local and systemic movement in Chenopodium quinoa and RNA profile of in vivo assembled virions. However, sensitivity to RNasemore » and assembly phenotypes distinguished virions assembled with CP subunits having {beta}-hexamer from those of wild type. A comparison of 3-D models obtained by cryo electron microscopy revealed overall similar structural features for wild type and mutant virions, with small but significant differences near the 3-fold axes of symmetry.« less

A flexible and transparent graphene/ZnO nanorod hybrid structure fabricated by exfoliating a graphite substrate.

PubMed

Nam, Gwang-Hee; Baek, Seong-Ho; Cho, Chang-Hee; Park, Il-Kyu

2014-10-21

We demonstrate the fabrication of a graphene/ZnO nanorod (NR) hybrid structure by mechanical exfoliation of ZnO NRs grown on a graphite substrate. We confirmed the existence of graphene sheets on the hybrid structure by analyzing the Raman spectra and current-voltage (I-V) characteristics. The Raman spectra of the exfoliated graphene/ZnO NR hybrid structure show G and 2D band peaks that are shifted to lower wavenumbers, indicating that the exfoliated graphene layer exists under a significant amount of strain. The I-V characteristics of the graphene/ZnO NR hybrid structure show current flow through the graphene layer, while no current flow is observed on the ZnO NR/polydimethylsiloxane (PDMS) composite without graphene, thereby indicating that the few-layer graphene was successfully transferred onto the hybrid structure. A piezoelectric nanogenerator is demonstrated by using the fabricated graphene/ZnO NR hybrid structure. The nanogenerator exhibits stable output voltage up to 3.04 V with alternating current output characteristics.

Photoelastic colloidal gel for a high-sensitivity strain sensor.

PubMed

Pan, Hui; Chen, Zhixin; Zhu, Shenmin; Jiang, Chun; Zhang, Di

2018-04-27

Nanoparticles, having the ability to self-assemble into an ordered structure in their suspensions, analogous to liquid crystals, have attracted extensive attention. Herein, we report a new type of colloidal gel with an ordered crystal structure assembled from 1D and 2D nanoparticles. The material has high elasticity and, more interestingly, it shows significant photoelasticity. Its refractive index can be tuned under external stress and exhibits an ultra-wide dynamic range (Δn) of the order of 10 -2 . Due to the large Δn, the material shows an extremely high strain sensibility of 720 nm/ε, an order of magnitude higher than the reported ones.

Photoelastic colloidal gel for a high-sensitivity strain sensor

NASA Astrophysics Data System (ADS)

Pan, Hui; Chen, Zhixin; Zhu, Shenmin; Jiang, Chun; Zhang, Di

2018-04-01

Nanoparticles, having the ability to self-assemble into an ordered structure in their suspensions, analogous to liquid crystals, have attracted extensive attention. Herein, we report a new type of colloidal gel with an ordered crystal structure assembled from 1D and 2D nanoparticles. The material has high elasticity and, more interestingly, it shows significant photoelasticity. Its refractive index can be tuned under external stress and exhibits an ultra-wide dynamic range (Δn) of the order of 10-2. Due to the large Δn, the material shows an extremely high strain sensibility of 720 nm/ɛ, an order of magnitude higher than the reported ones.

Electron Beam Freeform Fabrication: A Rapid Metal Deposition Process

NASA Technical Reports Server (NTRS)

Taminger, Karen M. B.; Hafley, Robert A.

2003-01-01

Manufacturing of structural metal parts directly from computer aided design (CAD) data has been investigated by numerous researchers over the past decade. Researchers at NASA Langley REsearch Center are developing a new solid freeform fabrication process, electron beam freeform fabrication (EBF), as a rapid metal deposition process that works efficiently with a variety of weldable alloys. The EBF process introduces metal wire feedstock into a molten pool that is created and sustained using a focused electron beam in a vacuum environment. Thus far, this technique has been demonstrated on aluminum and titanium alloys of interest for aerospace structural applications nickel and ferrous based alloys are also planned. Deposits resulting from 2219 aluminum demonstrations have exhibited a range of grain morphologies depending upon the deposition parameters. These materials ave exhibited excellent tensile properties comparable to typical handbook data for wrought plate product after post-processing heat treatments. The EBF process is capable of bulk metal deposition at deposition rated in excess of 2500 cubic centimeters per hour (150 cubic inches per our) or finer detail at lower deposition rates, depending upon the desired application. This process offers the potential for rapidly adding structural details to simpler cast or forged structures rather than the conventional approach of machining large volumes of chips to produce a monolithic metallic structure. Selective addition of metal onto simpler blanks of material can have a significant effect on lead time reduction and lower material and machining costs.

Local structure in BaTi O 3 - BiSc O 3 dipole glasses

DOE PAGES

Levin, I.; Krayzman, V.; Woicik, J. C.; ...

2016-03-14

Local structures in cubic perovskite-type (Ba 0.6Bi 0.4)(Ti 0.6Sc 0.4)O 3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-centermore » displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4 kVmm -1.« less

Azole-synergistic anti-candidal activity of altenusin, a biphenyl metabolite of the endophytic fungus Alternaria alternata isolated from Terminalia chebula Retz.

PubMed

Phaopongthai, Jatuporn; Wiyakrutta, Suthep; Meksuriyen, Duangdeun; Sriubolmas, Nongluksna; Suwanborirux, Khanit

2013-12-01

In this study, a tropical endophytic fungus, Alternaria alternata Tche-153 was isolated from a Thai medicinal plant Terminalia chebula Rezt. The ethyl acetate extract prepared from the fermentation broth exhibited significant ketoconazole-synergistic activity against Candida albicans. Bioassay-directed fractionation of the ethyl acetate extract led to the isolation of altenusin (1), isoochracinic acid (2), and altenuic acid (3) together with 2,5-dimethyl-7-hydroxychromone (4). Using the disc diffusion method and the microdilution chequerboard technique, only altenusin (1) in combination with each of three azole drugs, ketoconazole, fluconazole or itraconazole at their low sub-inhibitory concentrations exhibited potent synergistic activity against C. albicans with the fractional inhibitory concentration index range of 0.078 to 0.188. This first discovery of altenusin (1) as a new azole-synergistic prototype possessing a biphenyl structure is of significance for further development of new azole-synergists to treat invasive candidiasis.

Enhanced magnetic properties in Mn0.6Zn0.4-xNixFe2O4 (x=0-0.4) nanoparticles

NASA Astrophysics Data System (ADS)

Mallesh, S.; Mandal, P.; Srinivas, V.

2018-04-01

Ni substituted MnZn ferrite fine particles were synthesized through sol-gel method. The structure, stability and magnetic properties have been investigated. Thermal stability of as-prepared (AP) particles is improved compared to that of Mn0.6Zn0.4Fe2O4 (MZF) ferrite particles. The as-prepared and samples annealed at 1200 °C exhibit pure spinel ferrite phase, while samples at intermediate temperatures (600 - 1000 °C) exhibit secondary phase of α-Fe2O3 along with ferrite phase. The Mn0.6Zn0.1Ni0.3Fe2O4 (Ni-MZF) sample shows significantly lower volume fraction of secondary phase compared to that of MZF. The observed magnetization of Ni-MZF is twice of that MZF samples. Present results suggest that a small amount (x=0.3) of Ni in place of nonmagnetic Zn in MZF significantly decreases the secondary phase fraction and improves the magnetic properties.

In vivo treatment with the NF-κB inhibitor ursodeoxycholic acid (UDCA) improves tension development in the isolated mdx costal diaphragm.

PubMed

Carlson, C George; Potter, Ross; Yu, Vivien; Luo, Kevin; Lavin, Jesse; Nielsen, Cory

2016-03-01

Previous experiments have indicated that in vivo administration of ursodeoxycholic acid (UDCA) inhibits nuclear NF-κB activation and has beneficial effects on the structure and function of dystrophic (mdx) muscle. We examined the effect of UDCA on tension development in dystrophic muscle. Isometric tension development was examined in costal diaphragms that were freshly isolated from vehicle and UDCA treated mdx mice. Percent recovery scores were obtained by directly comparing these measurements to those obtained from age-matched nondystrophic mice. Vehicle treated mdx mice exhibited significantly reduced optimal muscle lengths (lo ) and specific twitch and tetanic tensions compared with age-matched nondystrophic mice. UDCA treated preparations exhibited significantly improved tension development with a 33% recovery score. Because UDCA is used in treating certain clinical disorders, these results provide a rationale for human clinical trials using this and related drugs for treatment of Duchenne and related muscular dystrophies. © 2015 Wiley Periodicals, Inc.

Zephycandidine A, the First Naturally Occurring Imidazo[1,2-f]phenanthridine Alkaloid from Zephyranthes candida, Exhibits Significant Anti-tumor and Anti-acetylcholinesterase Activities

NASA Astrophysics Data System (ADS)

Zhan, Guanqun; Qu, Xiaolan; Liu, Junjun; Tong, Qingyi; Zhou, Junfei; Sun, Bin; Yao, Guangmin

2016-09-01

Zephycandidine A (1), the first naturally occurring imidazo[1,2-f]phenanthridine alkaloid, was isolated from Zephyranthes candida (Amaryllidaceae). The structure of 1 was elucidated by spectroscopic analyses and NMR calculation, and a plausible biogenetic pathway for zephycandidine A (1) was proposed. Zephycandidine A (1) exhibited significant cytotoxicity against five cancer cell lines with IC50 values ranging from 1.98 to 7.03 μM with selectivity indices as high as 10 when compared to the normal Beas-2B cell. Further studies suggested that zephycandidine A (1) induces apoptosis in leukemia cells by the activation of caspase-3, upregulation of Bax, downregulation of Bcl-2, and degradation of PARP expression. In addition, zephycandidine A (1) showed acetylcholinesterase (AChE) inhibitory activity, and the docking studies of zephycandidine A (1) and galanthamine (2) with AChE revealed that interactions with W286 and Y337 are necessary.

Hit-to-Lead Optimization of a Novel Class of Potent, Broad-Spectrum Trypanosomacides.

PubMed

Russell, Stephanie; Rahmani, Raphaël; Jones, Amy J; Newson, Harriet L; Neilde, Kevin; Cotillo, Ignacio; Rahmani Khajouei, Marzieh; Ferrins, Lori; Qureishi, Sana; Nguyen, Nghi; Martinez-Martinez, Maria S; Weaver, Donald F; Kaiser, Marcel; Riley, Jennifer; Thomas, John; De Rycker, Manu; Read, Kevin D; Flematti, Gavin R; Ryan, Eileen; Tanghe, Scott; Rodriguez, Ana; Charman, Susan A; Kessler, Albane; Avery, Vicky M; Baell, Jonathan B; Piggott, Matthew J

2016-11-10

The parasitic trypanosomes Trypanosoma brucei and T. cruzi are responsible for significant human suffering in the form of human African trypanosomiasis (HAT) and Chagas disease. Drugs currently available to treat these neglected diseases leave much to be desired. Herein we report optimization of a novel class of N-(2-(2-phenylthiazol-4-yl)ethyl)amides, carbamates, and ureas, which rapidly, selectively, and potently kill both species of trypanosome. The mode of action of these compounds is unknown but does not involve CYP51 inhibition. They do, however, exhibit clear structure-activity relationships, consistent across both trypanosome species. Favorable physicochemical parameters place the best compounds in CNS drug-like chemical space but, as a class, they exhibit poor metabolic stability. One of the best compounds (64a) cleared all signs of T. cruzi infection in mice when CYP metabolism was inhibited, with sterile cure achieved in one mouse. This family of compounds thus shows significant promise for trypanosomiasis drug discovery.

Cross-Linkable, Solvent-Resistant Fullerene Contacts for Robust and Efficient Perovskite Solar Cells with Increased JSC and VOC.

PubMed

Watson, Brian L; Rolston, Nicholas; Bush, Kevin A; Leijtens, Tomas; McGehee, Michael D; Dauskardt, Reinhold H

2016-10-05

The active layers of perovskite solar cells are also structural layers and are central to ensuring that the structural integrity of the device is maintained over its operational lifetime. Our work evaluating the fracture energies of conventional and inverted solution-processed MAPbI 3 perovskite solar cells has revealed that the MAPbI 3 perovskite exhibits a fracture resistance of only ∼0.5 J/m 2 , while solar cells containing fullerene electron transport layers fracture at even lower values, below ∼0.25 J/m 2 . To address this weakness, a novel styrene-functionalized fullerene derivative, MPMIC 60 , has been developed as a replacement for the fragile PC 61 BM and C 60 transport layers. MPMIC 60 can be transformed into a solvent-resistant material through curing at 250 °C. As-deposited films of MPMIC 60 exhibit a marked 10-fold enhancement in fracture resistance over PC 61 BM and a 14-fold enhancement over C 60 . Conventional-geometry perovskite solar cells utilizing cured films of MPMIC 60 showed a significant, 205% improvement in fracture resistance while exhibiting only a 7% drop in PCE (13.8% vs 14.8% PCE) in comparison to the C 60 control, enabling larger V OC and J SC values. Inverted cells fabricated with MPMIC 60 exhibited a 438% improvement in fracture resistance with only a 6% reduction in PCE (12.3% vs 13.1%) in comparison to those utilizing PC 61 BM, again producing a higher J SC .

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yin, Wen-Yu; Zhuang, Guo-Yong; Huang, Zuo-Long

Three cadmium coordination polymers, [Cd(bismip)]{sub n} (1), {[Cd(bismip)(phen)]·H_2O}{sub n} (2) and {[Cd_2(bismip)_2(4,4′-bipy)]·2H_2O}{sub n} (3) (H{sub 2}bismip=5-(1H-benzoimidazol-2-ylsulfanylmethyl)-isophthalic acid, phen=1,10-phenanthroline, 4,4′-bipy=4,4′-bipyridine) have been prepared under solvothermal conditions. In 1, the [Cd{sub 4}(bismip){sub 3}] units are jointed by bismip ligands to afford a three-dimensional (3D) architecture. Complex 2 exhibits a 3D supramolecular framework based on the interconnection of 1D chains through hydrogen bonding interactions and π-π packing interactions. 3 is a two-fold interpenetrating 3D architecture with a (4·8{sup 2})(4{sup 2}·8{sup 4}) Schläfli symbol in which 2D layers are interlinked by 4,4′-bipy ligands. The diverse structures of compounds 1–3 indicate that the auxiliary ligandsmore » have significant effects on the final structures. The photoluminescent properties and photocatalytic properties of these coordination polymers in the solid state were also investigated. Remarkably, 3 shows the wide gap semiconductor nature and exhibit excellent photocatalytic performance. - Graphical abstract: Three cadmium coordination polymers with different architectures based on 5-(1H-benzoimidazol-2-ylsulfanylmethyl)-isophthalic acid have been prepared. Their photoluminescent properties were also investigated. - Highlights: • Three new Cd(II) Cps were synthesized based on H{sub 2}bismip. • Compounds 1 and 3 show 3D networks and 2 exhibits a 1D chain. • Compoud 3 exhibits good catalytic activity of methylene blue photodegradation.« less

Insensitive high-energy energetic structural material of tungsten-polytetrafluoroethylene-aluminum composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Liu; Liu, Jinxu, E-mail: liujinxu@bit.edu.cn; Zhang, Xinbo

2015-11-15

Energetic structural material is a kind of materials that are inert under normal conditions but could produce exothermic chemical reaction when subjected to impact. This report shows a kind of energetic structural material of tungsten (W)-polytetrafluoroethylene (PTFE)-aluminum (Al) with density of 4.12 g/cm{sup 3}, excellent ductility and dynamic compressive strength of 96 MPa. Moreover, 50W-35PTFE-15Al (wt%) can exhibit a high reaction energy value of more than 2 times of TNT per unit mass and 5 times of TNT per unit volume, respectively, but with excellent insensitivity compared with traditional explosives. Under thermal conditions, the W-PTFE-Al composite can keep stable atmore » 773 K. Under impact loading, when the strain rate up to ∼4820 s{sup −1} coupled with the absorbed energy per unit volume of 120 J/cm{sup 3}, deflagration occurs and combustion lasts for 500 μs. During impact compressive deformation, the PTFE matrix is elongated into nano-fibers, thus significantly increases the reaction activity of W-PTFE-Al composites. The nano-fiber structure is necessary for the reaction of W-PTFE-Al composites. The formation of PTFE nano-fibers must undergo severe plastic deformation, and therefore the W-PTFE-Al composites exhibit excellent insensitivity and safety. Furthermore, the reaction mechanisms of W-PTFE-Al composites in argon and in air are revealed.« less

Ion mobility-mass spectrometry reveals conformational flexibility in the deubiquitinating enzyme USP5.

PubMed

Scott, Daniel; Layfield, Robert; Oldham, Neil J

2015-08-01

Many proteins exhibit conformation flexibility as part of their biological function, whether through the presence of a series of well-defined states or by the existence of intrinsic disorder. Ion mobility spectrometry, in combination with MS (IM-MS), offers a rapid and sensitive means of probing ensembles of protein structures through measurement of gas-phase collisional cross sections. We have applied IM-MS analysis to the multidomain deubiquitinating enzyme ubiquitin specific protease 5 (USP5), which is believed to exhibit significant conformational flexibility. Native ESI-MS measurement of the 94-kDa USP5 revealed two distinct charge-state distributions: [M + 17H](+) to [M + 21H](+) and [M + 24H](+) to [M + 29H](+). The collisional cross sections of these ions revealed clear groupings of 52 ± 4 nm(2) for the lower charges and 66 ± 6 nm(2) for the higher charges. Molecular dynamics simulation of a compact form of USP5, based on a crystal structure, produced structures of 53-54 nm(2) following 2 ns in the gas phase, while simulation of an extended form (based on small-angle X-ray scattering data) led to structures of 64 nm(2). These data demonstrate that IM-MS is a valuable tool in studying proteins with different discrete conformational states. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levin, I.; Krayzman, V.; Woicik, J. C.

Local structures in cubic perovskite-type (Ba 0.6Bi 0.4)(Ti 0.6Sc 0.4)O 3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-centermore » displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4 kVmm -1.« less

Geographic variation and genetic structure in the Bahama Oriole (Icterus northropi), a critically endangered synanthropic species

PubMed Central

Person, Carl; Hayes, William K.

2015-01-01

Bird species may exhibit unexpected population structuring over small distances, with gene flow restricted by geographic features such as water or mountains. The Bahama Oriole (Icterus northropi) is a critically endangered, synanthropic island endemic with a declining population of fewer than 300 individuals. It now remains only on Andros Island (The Bahamas), which is riddled with waterways that past studies assumed did not hinder gene flow. We examined 1,858 base pairs of mitochondrial DNA sequenced from four gene regions in 14 birds (roughly 5% of the remaining population) found on the largest land masses of Andros Island (North Andros and Mangrove Cay/South Andros). We sought to discern genetic structuring between the remaining subpopulations and its relationship to current conservation concerns. Four unique haplotypes were identified, with only one shared between the two subpopulations. Nucleotide and haplotype diversity were higher for the North Andros subpopulation than for the Mangrove Cay/South Andros subpopulation. Analysis of molecular variance (AMOVA) yielded a Wright’s fixation index (Fst) of 0.60 (PFst = 0.016), with 40.2% of the molecular variation explained by within-population differences and 59.8% by among-population differences. Based on the mitochondrial regions examined in this study, we suggest the extant subpopulations of Bahama Oriole exhibit significant population structuring over short distances, consistent with some other non-migratory tropical songbird species. PMID:26644974

NLOphoric multichromophoric auxiliary methoxy aided triphenylamine D-π-A chromophores - Spectroscopic and computational studies

NASA Astrophysics Data System (ADS)

Erande, Yogesh; Kothavale, Shantaram; Sreenath, Mavila C.; Chitrambalam, Subramaniyan; Joe, Isaac H.; Sekar, Nagaiyan

2017-11-01

Molecules containing methoxy supported triphenylamine as strong electron-donor and dicyanovinyl as electron-acceptor groups interacting via isophorone as a configurationally locked polyene π-conjugated bridge are studied for their nonlinear optical properties. The photophysical study of examined chromophores in non-polar and polar solvents suggest that they exhibit strong emission solvatochromism and significant charge transfer characteristics supported by Lippert-Mataga plots and Generalised Mulliken Hush analysis. Linear and nonlinear optical properties as well as electronic properties measured by spectroscopic methods and cyclic voltametry and supported by DFT calculation were used to elucidate the structure property relationships. All three chromophores exhibit very high thermal stabilities with the decomposition temperatures higher than 340°C. The vibrational motions play very important role in determining the overall NLO response styryl chromophores which was established by DFT study. Dye 3 with maximum nonlinear optical susceptibility among three D-π-A systems proves that the multibranched push-pull chromophores exhibit a higher third order nonlinear susceptibility and justifies the design strategy.

σ–π-Band Inversion in a Novel Two-Dimensional Material

DOE PAGES

Lopez-Bezanilla, Alejandro; Littlewood, Peter B.

2015-07-24

In this paper, we present a theoretical study of a new type of two-dimensional material exhibiting a pentagonal arrangement of C and Si atoms. Pentagonal SiC 2 is investigated with density functional theory-based calculations to show that the buckled nanostructure is dynamically stable, and exhibits an indirect energy band gap and an enhanced electronic dispersion with respect to the all-carbon counterpart. Computed Born effective charges exhibit a significant anisotropy for C and Si atoms that deviates substantially from their static effective charges. We establish an accurate tunability of the vertical location of the p-p-σ and p-p-π bands and show thatmore » under compressive biaxial strain the density of states decreases, and conversely for tensile biaxial strain. Finally, this coupling between the tunability of strain-mediated density of states and semiconducting properties in a monolayered structure may allow for the development of applications in semiconducting stretchable electronics.« less

Towards Structural Analysis of Audio Recordings in the Presence of Musical Variations

NASA Astrophysics Data System (ADS)

Müller, Meinard; Kurth, Frank

2006-12-01

One major goal of structural analysis of an audio recording is to automatically extract the repetitive structure or, more generally, the musical form of the underlying piece of music. Recent approaches to this problem work well for music, where the repetitions largely agree with respect to instrumentation and tempo, as is typically the case for popular music. For other classes of music such as Western classical music, however, musically similar audio segments may exhibit significant variations in parameters such as dynamics, timbre, execution of note groups, modulation, articulation, and tempo progression. In this paper, we propose a robust and efficient algorithm for audio structure analysis, which allows to identify musically similar segments even in the presence of large variations in these parameters. To account for such variations, our main idea is to incorporate invariance at various levels simultaneously: we design a new type of statistical features to absorb microvariations, introduce an enhanced local distance measure to account for local variations, and describe a new strategy for structure extraction that can cope with the global variations. Our experimental results with classical and popular music show that our algorithm performs successfully even in the presence of significant musical variations.

77 FR 31909 - Culturally Significant Objects Imported for Exhibition

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-30

... exhibition ``50th Anniversary Remembrance of the Tragedy at Orly,'' imported from abroad by the High Museum of Art for temporary exhibition within the United States, is of cultural significance. The object is... exhibition or display of the exhibit object at the High Museum of Art in Atlanta, Georgia from on or about...

Spatial structure of morphological and neutral genetic variation in Brook Trout

USGS Publications Warehouse

Kazyak, David C.; Hilderbrand, Robert H.; Keller, Stephen R.; Colaw, Mark C.; Holloway, Amanda E.; Morgan, Raymond P.; King, Timothy L.

2015-01-01

Brook Trout Salvelinus fontinalis exhibit exceptional levels of life history variation, remarkable genetic variability, and fine-scale population structure. In many cases, neighboring populations may be highly differentiated from one another to an extent that is comparable with species-level distinctions in other taxa. Although genetic samples have been collected from hundreds of populations and tens of thousands of individuals, little is known about whether differentiation at neutral markers reflects phenotypic differences among Brook Trout populations. We compared differentiation in morphology and neutral molecular markers among populations from four geographically proximate locations (all within 24 km) to examine how genetic diversity covaries with morphology. We found significant differences among and/or within streams for all three morphological axes examined and identified the source stream of many individuals based on morphology (52.3% classification efficiency). Although molecular and morphological differentiation among streams ranged considerably (mean pairwise FST: 0.023–0.264; pairwise PST: 0.000–0.339), the two measures were not significantly correlated. While in some cases morphological characters appear to have diverged to a greater extent than expected by neutral genetic drift, many traits were conserved to a greater extent than were neutral genetic markers. Thus, while Brook Trout exhibit fine-scale spatial patterns in both morphology and neutral genetic diversity, these types of biological variabilities are being structured by different ecological and evolutionary processes. The relative influences of genetic drift versus selection and phenotypic plasticity in shaping morphology appear to vary among populations occupying nearby streams.

Hamiltonian structures for systems of hyperbolic conservation laws

NASA Astrophysics Data System (ADS)

Olver, Peter J.; Nutku, Yavuz

1988-07-01

The bi-Hamiltonian structure for a large class of one-dimensional hyberbolic systems of conservation laws in two field variables, including the equations of gas dynamics, shallow water waves, one-dimensional elastic media, and the Born-Infeld equation from nonlinear electrodynamics, is exhibited. For polytropic gas dynamics, these results lead to a quadri-Hamiltonian structure. New higher-order entropy-flux pairs (conservation laws) and higher-order symmetries are exhibited.

Some dissociating factors in the analysis of structural and functional progressive damage in open-angle glaucoma.

PubMed

Hudson, C J W; Kim, L S; Hancock, S A; Cunliffe, I A; Wild, J M

2007-05-01

To identify the presence, and origin, of any "dissociating factors" inherent to the techniques for evaluating progression that mask the relationship between structural and functional progression in open-angle glaucoma (OAG). 23 patients (14 with OAG and 9 with ocular hypertension (OHT)) who had received serial Heidelberg Retina Tomograph (HRT II) and Humphrey Field Analyser (HFA) examinations for >or=5 years (mean 78.4 months (SD 9.5), range 60-101 months) were identified. Evidence of progressive disease was retrospectively evaluated in one eye of each patient using the Topographic Change Analysis (TCA) and Glaucoma Progression Analysis (GPA) for the HRT II and HFA, respectively. Six patients were stable by both techniques; four exhibited both structural and functional progression; seven exhibited structural progression, only, and six showed functional progression, only. Three types of dissociating factors were identified. TCA failed to identify progressive structural damage in the presence of advanced optic nerve head damage. GPA failed to identify progressive functional damage at stimulus locations, with sensitivities exhibiting test-retest variability beyond the maximum stimulus luminance of the perimeter, and where a perimetric learning effect was apparent. The three dissociating factors accounted for nine of the 13 patients who exhibited a lack of concordance between structural and functional progressive damage.

When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1-6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations.

PubMed

Lamiel-Garcia, Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Bromley, Stefan T; Illas, Francesc

2017-04-11

All electron relativistic density functional theory (DFT) based calculations using numerical atom-centered orbitals have been carried out to explore the relative stability, atomic, and electronic structure of a series of stoichiometric TiO 2 anatase nanoparticles explicitly containing up to 1365 atoms as a function of size and morphology. The nanoparticles under scrutiny exhibit octahedral or truncated octahedral structures and span the 1-6 nm diameter size range. Initial structures were obtained using the Wulff construction, thus exhibiting the most stable (101) and (001) anatase surfaces. Final structures were obtained from geometry optimization with full relaxation of all structural parameters using both generalized gradient approximation (GGA) and hybrid density functionals. Results show that, for nanoparticles of a similar size, octahedral and truncated octahedral morphologies have comparable energetic stabilities. The electronic structure properties exhibit a clear trend converging to the bulk values as the size of the nanoparticles increases but with a marked influence of the density functional employed. Our results suggest that electronic structure properties, and hence reactivity, for the largest anatase nanoparticles considered in this study will be similar to those exhibited by even larger mesoscale particles or by bulk systems. Finally, we present compelling evidence that anatase nanoparticles become effectively bulklike when reaching a size of ∼20 nm diameter.

Spin transfer torque in non-collinear magnetic tunnel junctions exhibiting quasiparticle bands: a non-equilibrium Green's function study

NASA Astrophysics Data System (ADS)

Jaya, Selvaraj Mathi

2017-06-01

A non-equilibrium Green's function formulation to study the spin transfer torque (STT) in non-collinear magnetic tunnel junctions (MTJs) exhibiting quasiparticle bands is developed. The formulation can be used to study the magnetoresistance and spin current too. The formulation is used to study the STT in model tunnel junctions exhibiting multiple layers and quasiparticle bands. The many body interaction that gives rise to quasiparticle bands is assumed to be a s - f exchange interaction at the electrode regions of the MTJ. The quasiparticle bands are obtained using a many body procedure and the single particle band structure is obtained using the tight binding model. The bias dependence of the STT as well as the influence of band occupancy and s - f exchange coupling strength on the STT are studied. We find from our studies that the band occupancy plays a significant role in deciding the STT and the s - f interaction strength too influences the STT significantly. Anomalous behavior in both the parallel and perpendicular components of the STT is obtained from our studies. Our results obtained for certain values of the band occupation are found to show the trend observed from the experimental measurements of STT.

Synthesis and SARs of novel lincomycin derivatives Part 5: optimization of lincomycin analogs exhibiting potent antibacterial activities by chemical modification at the 6- and 7-positions.

PubMed

Wakiyama, Yoshinari; Kumura, Ko; Umemura, Eijiro; Masaki, Satomi; Ueda, Kazutaka; Sato, Yasuo; Hirai, Yoko; Hayashi, Yoshio; Ajito, Keiichi

2018-02-01

In order to modify lincomycin at the C-6 and C-7 positions, we prepared target molecules, which have substituted pipecolinic acid at the 6-amino group and a para-substituted phenylthio group at the C-7 position, in application of palladium-catalyzed cross-coupling as a key reaction. As the result of structure-activity relationship (SAR) studies at the 6-position, analogs possessing 4'-cis-(cyclopropylmethyl)piperidine showed significantly strong antibacterial activities against Streptococcus pneumoniae and Streptococcus pyogenes with an erm gene. On the basis of SAR, we further synthesized novel analogs possessing 4'-cis-(cyclopropylmethyl)piperidine by transformation of a C-7 substituent. Consequently, novel derivatives possessing a para-heteroaromatic-phenylthio group at the C-7 position exhibited significantly strong activities against S. pneumoniae and S. pyogenes with an erm gene even when compared with those of telithromycin. Finally, in vivo efficacy of selected two derivatives was evaluated in a rat pulmonary infection model with resistant S. pneumoniae with erm + mef genes. One of them exhibited strong and constant in vivo efficacy in this model, and both compounds showed strong in vivo efficacy against resistant S. pneumoniae with a mef gene.

77 FR 7229 - Culturally Significant Objects Imported for Exhibition Determinations: “Nomads and Networks: The...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-10

...,'' imported from abroad for temporary exhibition within the United States, are of cultural significance. The... that the exhibition or display of the exhibit objects at the Institute for the Study of the Ancient...

Linking Carbon Flux Dynamics and Soil Structure in Dryland Soils

NASA Astrophysics Data System (ADS)

DeCarlo, K. F.; Caylor, K. K.

2016-12-01

Biological sources in the form of microbes and plants play a fundamental role in determining the magnitude of carbon flux. However, the geophysical structure of the soil (which the carbon must pass through before entering the atmosphere) often serves as a constraining entity, which has the potential to serve as instigators or mitigators of those carbon and hydrologic flux processes. We characterized soil carbon dynamics in three dryland soil systems: bioturbated soils, biocompacted soils, and undisturbed soils. Carbon fluxes were characterized using a closed-system respiration chamber, with CO2 concentration differences measured using an infrared gas analyzer (IRGA). Structure of the soil systems, with a focus on the macro-crack structure, were characterized using a combined resin-casting/X-ray imaging technique. Results show fundamental differences in carbon dynamics between the different soil systems/structures: control soils have gaussian distributions of carbon flux that decrease with progressive drying of the soil, while biocompacted soils exhibit exponentially distributed fluxes that do not regularly decrease with increased drying of the soil. Bioturbated soils also exhibit an exponential distribution of carbon flux, though at a much higher magnitude. These differences are evaluated in the context of the underlying soil structure: while the control soils exhibit a shallow and narrow crack structure, the biocompacted soils exhibit a "systematic" crack network with moderate cracking intensity and large depth. The deep crack networks of the biocompacted soils may serve to physically enhance an otherwise weak source of carbon via advection and/or convection, inducing fluxes that are equal or greater than an otherwise carbon-rich soil. The bioturbated soils exhibit a "surficial" crack network that is shallow but extensive, but additionally have deep holes known to convectively vent carbon, which may explain their periodically large carbon fluxes. Our results suggest that variability in soil structure, as well as carbon source, plays a fundamental role in carbon flux dynamics, and the importance of evaluating biological carbon source and geophysical soil structure in a dryland environment.

Structure of the floating water bridge and water in an electric field

PubMed Central

Skinner, Lawrie B.; Benmore, Chris J.; Shyam, Badri; Weber, J. K. R.; Parise, John B.

2012-01-01

The floating water bridge phenomenon is a freestanding rope-shaped connection of pure liquid water, formed under the influence of a high potential difference (approximately 15 kV). Several recent spectroscopic, optical, and neutron scattering studies have suggested that the origin of the bridge is associated with the formation of anisotropic chains of water molecules in the liquid. In this work, high energy X-ray diffraction experiments have been performed on a series of floating water bridges as a function of applied voltage, bridge length, and position within the bridge. The two-dimensional X-ray scattering data showed no direction-dependence, indicating that the bulk water molecules do not exhibit any significant preferred orientation along the electric field. The only structural changes observed were those due to heating, and these effects were found to be the same as for bulk water. These X-ray scattering measurements are supported by molecular dynamics (MD) simulations which were performed under electric fields of 106 V/m and 109 V/m. Directional structure factor calculations were made from these simulations parallel and perpendicular to the E-field. The 106 V/m model showed no significant directional-dependence (anisotropy) in the structure factors. The 109 V/m model however, contained molecules aligned by the E-field, and had significant structural anisotropy. PMID:23010930

Two divergent endo-beta-1,4-glucanase genes exhibit overlapping expression in ripening fruit and abscising flowers.

PubMed Central

Lashbrook, C C; Gonzalez-Bosch, C; Bennett, A B

1994-01-01

Two structurally divergent endo-beta-1,4-glucanase (EGase) cDNAs were cloned from tomato. Although both cDNAs (Cel1 and Cel2) encode potentially glycosylated, basic proteins of 51 to 53 kD and possess multiple amino acid domains conserved in both plant and microbial EGases, Cel1 and Cel2 exhibit only 50% amino acid identity at the overall sequence level. Amino acid sequence comparisons to other plant EGases indicate that tomato Cel1 is most similar to bean abscission zone EGase (68%), whereas Cel2 exhibits greatest sequence identity to avocado fruit EGase (57%). Sequence comparisons suggest the presence of at least two structurally divergent EGase families in plants. Unlike ripening avocado fruit and bean abscission zones in which a single EGase mRNA predominates, EGase expression in tomato reflects the overlapping accumulation of both Cel1 and Cel2 transcripts in ripening fruit and in plant organs undergoing cell separation. Cel1 mRNA contributes significantly to total EGase mRNA accumulation within plant organs undergoing cell separation (abscission zones and mature anthers), whereas Cel2 mRNA is most abundant in ripening fruit. The overlapping expression of divergent EGase genes within a single species may suggest that multiple activities are required for the cooperative disassembly of cell wall components during fruit ripening, floral abscission, and anther dehiscence. PMID:7994180

Effects of transition-metal ions on the morphology and electrochemical properties of δ-MnO2 for supercapacitors

NASA Astrophysics Data System (ADS)

Wang, Jia-Wei; Chen, Ya; Chen, Bai-Zhen

2014-11-01

δ-MnO2 materials doped with transition-metal cations (Zn, Co, and Ag) were successfully synthesized using a hydrothermal technique. The structures and morphologies of the obtained oxides were analyzed using X-ray diffraction, scanning electron microscopy and Brunauer-Emmett-Teller measurements. Additionally, the electrochemical properties were evaluated through cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic cycling measurements. The results indicate that the pure and doped samples crystallize in the δ form with a layered structure and that the Mn/Zn, Mn/Co and Mn/Ag molar ratios are all approximately 1:0.09. Both the Zn-doped and pure MnO2 materials exhibit a petal-like morphology; however, the former has a higher specific surface area of up to 98.97m2 g-1. Furthermore, the Zn-doped MnO2 exhibits a near-rectangular cyclic voltammetry (CV) curve with broad quasi-reversible redox peaks and a specific capacitance of 182.9 F g-1 at a CV scan rate of 2 mV s-1. The Co-doped material exhibits a distinct spiny-fiber morphology, and the electrochemical performance of this material is significantly worse than that of pure MnO2. The average attenuation rate of the Ag-doped material is only 0.028% after 1000 cycles, which is lower than that of pure MnO2.

Vectorisation of agrochemicals via amino acid carriers: influence of the spacer arm structure on the phloem mobility of phenylpyrrole conjugates in the Ricinus system.

PubMed

Marhadour, Sophie; Wu, Hanxiang; Yang, Wen; Marivingt-Mounir, Cécile; Bonnemain, Jean-Louis; Chollet, Jean-François

2017-09-01

Excessive agrochemical use poses significant threats to environmental safety and human health. Reducing pesticide use without reducing yield is necessary for sustainable agriculture. Therefore, we developed a vectorisation strategy to enhance agrochemical delivery through plant amino acid carriers. In addition to a fenpiclonil conjugate recently described, three new amino acid conjugates were synthesised by coupling fenpiclonil to an l-α-amino acid. Phloem mobility of these conjugates, which exhibit different structures of the spacer arm introduced between fenpiclonil and the α-amino acid function, was studied using the Ricinus model. Conjugate L-14, which contains a triazole ring with the shortest amino acid chain, showed the best phloem systemicity among the four conjugates. By contrast, removing the triazole ring in the spacer arm did not improve systemicity. L-14 exhibited phloem systemicity at all reported pH values (pH values from 5.0 to 6.5) of the foliar apoplast, while acidic derivatives of fenpiclonil were translocated only at pH values near 5.0. The conjugates were recognised by a pH-dependent transporter system and translocated at distance in the phloem. They exhibited a broader phloem systemicity than fenpiclonil acidic derivatives within the pH value range of the foliar apoplast. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Taking apart the Big Pine fault: Redefining a major structural feature in southern California

USGS Publications Warehouse

Onderdonk, N.W.; Minor, S.A.; Kellogg, K.S.

2005-01-01

New mapping along the Big Pine fault trend in southern California indicates that this structural alignment is actually three separate faults, which exhibit different geometries, slip histories, and senses of offset since Miocene time. The easternmost fault, along the north side of Lockwood Valley, exhibits left-lateral reverse Quaternary displacement but was a north dipping normal fault in late Oligocene to early Miocene time. The eastern Big Pine fault that bounds the southern edge of the Cuyama Badlands is a south dipping reverse fault that is continuous with the San Guillermo fault. The western segment of the Big Pine fault trend is a north dipping thrust fault continuous with the Pine Mountain fault and delineates the northern boundary of the rotated western Transverse Ranges terrane. This redefinition of the Big Pine fault differs greatly from the previous interpretation and significantly alters regional tectonic models and seismic risk estimates. The outcome of this study also demonstrates that basic geologic mapping is still needed to support the development of geologic models. Copyright 2005 by the American Geophysical Union.

Nanomechanical properties of distinct fibrillar polymorphs of the protein α-synuclein

PubMed Central

Makky, Ali; Bousset, Luc; Polesel-Maris, Jérôme; Melki, Ronald

2016-01-01

Alpha-synuclein (α-Syn) is a small presynaptic protein of 140 amino acids. Its pathologic intracellular aggregation within the central nervous system yields protein fibrillar inclusions named Lewy bodies that are the hallmarks of Parkinson’s disease (PD). In solution, pure α-Syn adopts an intrinsically disordered structure and assembles into fibrils that exhibit considerable morphological heterogeneity depending on their assembly conditions. We recently established tightly controlled experimental conditions allowing the assembly of α-Syn into highly homogeneous and pure polymorphs. The latter exhibited differences in their shape, their structure but also in their functional properties. We have conducted an AFM study at high resolution and performed a statistical analysis of fibrillar α-Syn shape and thermal fluctuations to calculate the persistence length to further assess the nanomechanical properties of α-Syn polymorphs. Herein, we demonstrated quantitatively that distinct polymorphs made of the same protein (wild-type α-Syn) show significant differences in their morphology (height, width and periodicity) and physical properties (persistence length, bending rigidity and axial Young’s modulus). PMID:27901068

Merging the Structural Motifs of Functionalized Amino Acids and α-Aminoamides: Compounds with Significant Anticonvulsant Activities

PubMed Central

Salomé, Christophe; Salomé-Grosjean, Elise; Stables, James P.; Kohn, Harold

2010-01-01

Functional amino acids (FAAs) and α-aminoamides (AAAs) are two classes of antiepileptic drugs (AEDs) that exhibit pronounced anticonvulsant activities. We combined key structural pharmacophores present in FAAs and AAAs to generate a new series of compounds and document that select compounds exhibit activity superior to either the prototypical FAA (lacosamide) or the prototypical AAA (safinamide) in the maximal electroshock (MES) seizure model in rats. A representative compound, (R)-N-4′-((3″-fluoro)benzyloxy)benzyl 2-acetamido-3-methoxypropionamide ((R)-10), was tested in the MES (mice, ip), MES (rat, po), psychomotor 6 Hz (32 mA) (mice, ip), and hippocampal kindled (rat, ip) seizure tests providing excellent protection with ED50 values of 13, 14, ~10 mg/kg, and 12 mg/kg, respectively. In the rat sciatic nerve ligation model (ip), (R)-10 (12 mg/kg) provided an 11.2-fold attenuation of mechanical allodynia. In the mouse biphasic formalin pain model (ip), (R)-10 (15 mg/kg) reduced pain responses in the acute and the chronic inflammatory phases. PMID:20394379

Merging the structural motifs of functionalized amino acids and alpha-aminoamides: compounds with significant anticonvulsant activities.

PubMed

Salomé, Christophe; Salomé-Grosjean, Elise; Stables, James P; Kohn, Harold

2010-05-13

Functional amino acids (FAAs) and alpha-aminoamides (AAAs) are two classes of antiepileptic drugs (AEDs) that exhibit pronounced anticonvulsant activities. We combined key structural pharmacophores present in FAAs and AAAs to generate a new series of compounds and document that select compounds exhibit activity superior to either the prototypical FAA (lacosamide) or the prototypical AAA (safinamide) in the maximal electroshock (MES) seizure model in rats. A representative compound, (R)-N-4'-((3''-fluoro)benzyloxy)benzyl 2-acetamido-3-methoxypropionamide ((R)-10), was tested in the MES (mice, ip), MES (rat, po), psychomotor 6 Hz (32 mA) (mice, ip), and hippocampal kindled (rat, ip) seizure tests providing excellent protection with ED(50) values of 13, 14, approximately 10 mg/kg, and 12 mg/kg, respectively. In the rat sciatic nerve ligation model (ip), (R)-10 (12 mg/kg) provided an 11.2-fold attenuation of mechanical allodynia. In the mouse biphasic formalin pain model (ip), (R)-10 (15 mg/kg) reduced pain responses in the acute and the chronic inflammatory phases.

Sulphur Atoms from Methionines Interacting with Aromatic Residues Are Less Prone to Oxidation

PubMed Central

Aledo, Juan C.; Cantón, Francisco R.; Veredas, Francisco J.

2015-01-01

Methionine residues exhibit different degrees of susceptibility to oxidation. Although solvent accessibility is a relevant factor, oxidation at particular sites cannot be unequivocally explained by accessibility alone. To explore other possible structural determinants, we assembled different sets of oxidation-sensitive and oxidation-resistant methionines contained in human proteins. Comparisons of the proteins containing oxidized methionines with all proteins in the human proteome led to the conclusion that the former exhibit a significantly higher mean value of methionine content than the latter. Within a given protein, an examination of the sequence surrounding the non-oxidized methionine revealed a preference for neighbouring tyrosine and tryptophan residues, but not for phenylalanine residues. However, because the interaction between sulphur atoms and aromatic residues has been reported to be important for the stabilization of protein structure, we carried out an analysis of the spatial interatomic distances between methionines and aromatic residues, including phenylalanine. The results of these analyses uncovered a new determinant for methionine oxidation: the S-aromatic motif, which decreases the reactivity of the involved sulphur towards oxidants. PMID:26597773

Synthesis, structure stability and magnetic properties of nanocrystalline Ag-Ni alloy

NASA Astrophysics Data System (ADS)

Santhi, Kalavathy; Thirumal, E.; Karthick, S. N.; Kim, Hee-Je; Nidhin, Marimuthu; Narayanan, V.; Stephen, A.

2012-05-01

Silver-nickel alloy nanoparticles with an average size of 30-40 nm were synthesized by chemically reducing the mixture of silver and nickel salts using sodium borohydride. The structure and the magnetic properties of the alloy samples with different compositions were investigated. The phase stability of the material was analysed after annealing the sample in vacuum at various temperatures. The material exhibits single fcc phase which is stable up to 400 °C and Ni precipitation sets in when the sample is annealed to 500 °C. The thermal analysis using DSC was carried out to confirm the same. The alloy compositions are found to be in close correlation with the metal salt ratios in the precursors. The synthesized samples exhibit weak paramagnetic to ferromagnetic behaviour. The magnetic measurements reveal that by adjusting the precursor ratio, the Ni content in the material can be altered and hence its magnetic properties tailored to suit specific requirements. The formation of Ag-Ni alloy is confirmed by the observed Curie temperature from the magneto thermogram. Annealing the sample helps to produce significant enhancement in the magnetization of the material.

Toxoplasma gondii peptide ligands open the gate of the HLA class I binding groove

PubMed Central

McMurtrey, Curtis; Trolle, Thomas; Sansom, Tiffany; Remesh, Soumya G; Kaever, Thomas; Bardet, Wilfried; Jackson, Kenneth; McLeod, Rima; Sette, Alessandro; Nielsen, Morten; Zajonc, Dirk M; Blader, Ira J; Peters, Bjoern; Hildebrand, William

2016-01-01

HLA class I presentation of pathogen-derived peptide ligands is essential for CD8+ T-cell recognition of Toxoplasma gondii infected cells. Currently, little data exist pertaining to peptides that are presented after T. gondii infection. Herein we purify HLA-A*02:01 complexes from T. gondii infected cells and characterize the peptide ligands using LCMS. We identify 195 T. gondii encoded ligands originating from both secreted and cytoplasmic proteins. Surprisingly, T. gondii ligands are significantly longer than uninfected host ligands, and these longer pathogen-derived peptides maintain a canonical N-terminal binding core yet exhibit a C-terminal extension of 1–30 amino acids. Structural analysis demonstrates that binding of extended peptides opens the HLA class I F’ pocket, allowing the C-terminal extension to protrude through one end of the binding groove. In summary, we demonstrate that unrealized structural flexibility makes MHC class I receptive to parasite-derived ligands that exhibit unique C-terminal peptide extensions. DOI: http://dx.doi.org/10.7554/eLife.12556.001 PMID:26824387

Population Structure of Pythium irregulare, P. ultimum, and P. sylvaticum in Forest Nursery Soils of Oregon and Washington.

PubMed

Weiland, Jerry E; Garrido, Patricia; Kamvar, Zhian N; Espíndola, Andrés S; Marek, Stephen M; Grünwald, Niklaus J; Garzón, Carla D

2015-05-01

Pythium species are important soilborne pathogens occurring in the forest nursery industry of the Pacific Northwest. However, little is known about their genetic diversity or population structure and it is suspected that isolates are moved among forest nurseries on seedling stock and shared field equipment. In order to address these concerns, a total of 115 isolates of three Pythium species (P. irregulare, P. sylvaticum, and P. ultimum) were examined at three forest nurseries using simple sequence repeat (SSR) and amplified fragment length polymorphism (AFLP) markers. Analyses revealed distinct patterns of intraspecific variation for the three species. P. sylvaticum exhibited the most diversity, followed by P. irregulare, while substantial clonality was found in P. ultimum. For both P. irregulare and P. sylvaticum, but not P. ultimum, there was evidence for significant variation among nurseries. However, all three species also exhibited at least two distinct lineages not associated with the nursery of origin. Finally, evidence was found that certain lineages and clonal genotypes, including fungicide-resistant isolates, are shared among nurseries, indicating that pathogen movement has occurred.

Structure-dependent localized surface plasmon resonance characteristics and surface enhanced Raman scattering performances of quasi-periodic nanoarrays: Measurements and analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Dong; Zhou, Jun, E-mail: zhoujun@nbu.edu.cn; Rippa, Massimo

A set of periodic and quasi-periodic Au nanoarrays with different morphologies have been fabricated by using electron beam lithography technique, and their optical properties have been examined experimentally and analyzed theoretically by scanning near-field optical microscope and finite element method, respectively. Results present that the localized surface plasmon resonance of the as-prepared Au nanoarrays exhibit the structure-depended characteristics. Comparing with the periodic nanoarrays, the quasi-periodic ones demonstrate stronger electric field enhancement, especially for Thue-Morse nanoarray. Meanwhile, the surface enhanced Raman scattering (SERS) spectra of 4-mercaptobenzoic acid molecular labeled nanoarrays show that the quasi-periodic nanoarrays exhibit distinct SERS enhancement, for example,more » a higher enhancement factor of ∼10{sup 7} is obtained for the Thue-Morse nanoarray consisted of square pillars of 100 nm size. Therefore, it is significant to optimally design and fabricate the chip-scale quasi-periodic nanoarrays with high localized electric field enhancement for SERS applications in biosensing field.« less

Historic changes in fish assemblage structure in midwestern nonwadeable rivers

USGS Publications Warehouse

Parks, Timothy P.; Quist, Michael C.; Pierce, Clay L.

2014-01-01

Historical change in fish assemblage structure was evaluated in the mainstems of the Des Moines, Iowa, Cedar, Wapsipinicon, and Maquoketa rivers, in Iowa. Fish occurrence data were compared in each river between historical and recent time periods to characterize temporal changes among 126 species distributions and assess spatiotemporal patterns in faunal similarity. A resampling procedure was used to estimate species occurrences in rivers during each assessment period and changes in species occurrence were summarized. Spatiotemporal shifts in species composition were analyzed at the river and river section scale using cluster analysis, pairwise Jaccard's dissimilarities, and analysis of multivariate beta dispersion. The majority of species exhibited either increases or declines in distribution in all rivers with the exception of several “unknown” or inconclusive trends exhibited by species in the Maquoketa River. Cluster analysis identified temporal patterns of similarity among fish assemblages in the Des Moines, Cedar, and Iowa rivers within the historical and recent assessment period indicating a significant change in species composition. Prominent declines of backwater species with phytophilic spawning strategies contributed to assemblage changes occurring across river systems.

Spatially resolved mapping of electrical conductivity across individual domain (grain) boundaries in graphene.

PubMed

Clark, Kendal W; Zhang, X-G; Vlassiouk, Ivan V; He, Guowei; Feenstra, Randall M; Li, An-Ping

2013-09-24

All large-scale graphene films contain extended topological defects dividing graphene into domains or grains. Here, we spatially map electronic transport near specific domain and grain boundaries in both epitaxial graphene grown on SiC and CVD graphene on Cu subsequently transferred to a SiO2 substrate, with one-to-one correspondence to boundary structures. Boundaries coinciding with the substrate step on SiC exhibit a significant potential barrier for electron transport of epitaxial graphene due to the reduced charge transfer from the substrate near the step edge. Moreover, monolayer-bilayer boundaries exhibit a high resistance that can change depending on the height of substrate step coinciding at the boundary. In CVD graphene, the resistance of a grain boundary changes with the width of the disordered transition region between adjacent grains. A quantitative modeling of boundary resistance reveals the increased electron Fermi wave vector within the boundary region, possibly due to boundary induced charge density variation. Understanding how resistance change with domain (grain) boundary structure in graphene is a crucial first step for controlled engineering of defects in large-scale graphene films.

76 FR 75939 - Culturally Significant Objects Imported for Exhibition Determinations: “Works of Art Coming to...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-05

... DEPARTMENT OF STATE [Public Notice 7707] Culturally Significant Objects Imported for Exhibition Determinations: ``Works of Art Coming to the U.S. for Exhibition'' SUMMARY: Notice is hereby given of the... objects to be included in the exhibition ``Works of Art Coming to the U.S. for Exhibition,'' imported from...

Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oyama, Takuji; Toyota, Kenji; Waku, Tsuyoshi

2009-08-01

The structures of the ligand-binding domains (LBDs) of human peroxisome proliferator-activated receptors (PPARα, PPARγ and PPARδ) in complexes with a pan agonist, an α/δ dual agonist and a PPARδ-specific agonist were determined. The results explain how each ligand is recognized by the PPAR LBDs at an atomic level. Peroxisome proliferator-activated receptors (PPARs) belong to the nuclear hormone receptor family, which is defined as transcriptional factors that are activated by the binding of ligands to their ligand-binding domains (LBDs). Although the three PPAR subtypes display different tissue distribution patterns and distinct pharmacological profiles, they all are essentially related to fatty-acid andmore » glucose metabolism. Since the PPARs share similar three-dimensional structures within the LBDs, synthetic ligands which simultaneously activate two or all of the PPARs could be potent candidates in terms of drugs for the treatment of abnormal metabolic homeostasis. The structures of several PPAR LBDs were determined in complex with synthetic ligands, derivatives of 3-(4-alkoxyphenyl)propanoic acid, which exhibit unique agonistic activities. The PPARα and PPARγ LBDs were complexed with the same pan agonist, TIPP-703, which activates all three PPARs and their crystal structures were determined. The two LBD–ligand complex structures revealed how the pan agonist is adapted to the similar, but significantly different, ligand-binding pockets of the PPARs. The structures of the PPARδ LBD in complex with an α/δ-selective ligand, TIPP-401, and with a related δ-specific ligand, TIPP-204, were also determined. The comparison between the two PPARδ complexes revealed how each ligand exhibits either a ‘dual selective’ or ‘single specific’ binding mode.« less

Marsh canopy structure changes and the Deepwater Horizon oil spill

USGS Publications Warehouse

Ramsey, Elijah W.; Rangoonwala, Amina; Jones, Cathleen E.

2016-01-01

Marsh canopy structure was mapped yearly from 2009 to 2012 in the Barataria Bay, Louisiana coastal region that was impacted by the 2010 Deepwater Horizon (DWH) oil spill. Based on the previously demonstrated capability of NASA's UAVSAR polarimetric synthetic aperture radar (PolSAR) image data to map Spartina alterniflora marsh canopy structure, structure maps combining the leaf area index (LAI) and leaf angle distribution (LAD, orientation) were constructed for yearly intervals that were directly relatable to the 2010 LAI-LAD classification. The yearly LAI-LAD and LAI difference maps were used to investigate causes for the previously revealed dramatic change in marsh structure from prespill (2009) to postspill (2010, spill cessation), and the occurrence of structure features that exhibited abnormal spatial and temporal patterns. Water level and salinity records showed that freshwater releases used to keep the oil offshore did not cause the rapid growth from 2009 to 2010 in marsh surrounding the inner Bay. Photointerpretation of optical image data determined that interior marsh patches exhibiting rapid change were caused by burns and burn recovery, and that the pattern of 2010 to 2011 LAI decreases in backshore marsh and extending along some tidal channels into the interior marsh were not associated with burns. Instead, the majority of 2010 to 2011 shoreline features aligned with vectors displaying the severity of 2010 shoreline oiling from the DWH spill. Although the association is not conclusive of a causal oil impact, the coexistent pattern is a significant discovery. PolSAR marsh structure mapping provided a unique perspective of marsh biophysical status that enhanced detection of change and monitoring of trends important to management effectiveness.

Electronic structure of multi-walled carbon fullerenes

NASA Astrophysics Data System (ADS)

Doore, Keith; Cook, Matthew; Clausen, Eric; Lukashev, Pavel V.; Kidd, Tim E.; Stollenwerk, Andrew J.

2017-02-01

Despite an enormous amount of research on carbon based nanostructures, relatively little is known about the electronic structure of multi-walled carbon fullerenes, also known as carbon onions. In part, this is due to the very high computational expense involved in estimating electronic structure of large molecules. At the same time, experimentally, the exact crystal structure of the carbon onion is usually unknown, and therefore one relies on qualitative arguments only. In this work we present the results of a computational study on a series of multi-walled fullerenes and compare their electronic structures to experimental data. Experimentally, the carbon onions were fabricated using ultrasonic agitation of isopropanol alcohol and deposited onto the surface of highly ordered pyrolytic graphite using a drop cast method. Scanning tunneling microscopy images indicate that the carbon onions produced using this technique are ellipsoidal with dimensions on the order of 10 nm. The majority of differential tunneling spectra acquired on individual carbon onions are similar to that of graphite with the addition of molecular-like peaks, indicating that these particles span the transition between molecules and bulk crystals. A smaller, yet sizable number exhibited a semiconducting gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) levels. These results are compared with the electronic structure of different carbon onion configurations calculated using first-principles. Similar to the experimental results, the majority of these configurations are metallic with a minority behaving as semiconductors. Analysis of the configurations investigated here reveals that each carbon onion exhibiting an energy band gap consisted only of non-metallic fullerene layers, indicating that the interlayer interaction is not significant enough to affect the total density of states in these structures.

Crystal Structure of Hyperthermophilic Endo-β-1,4-glucanase

PubMed Central

Zheng, Baisong; Yang, Wen; Zhao, Xinyu; Wang, Yuguo; Lou, Zhiyong; Rao, Zihe; Feng, Yan

2012-01-01

Endo-β-1,4-glucanase from thermophilic Fervidobacterium nodosum Rt17-B1 (FnCel5A), a new member of glycosyl hydrolase family 5, is highly thermostable and exhibits the highest activity on carboxymethylcellulose among the reported homologues. To understand the structural basis for the thermostability and catalytic mechanism, we report here the crystal structures of FnCel5A and the complex with glucose at atomic resolution. FnCel5A exhibited a (β/α)8-barrel structure typical of clan GH-A of the glycoside hydrolase families with a large and deep catalytic pocket located in the C-terminal end of the β-strands that may permit substrate access. A comparison of the structure of FnCel5A with related structures from thermopile Clostridium thermocellum, mesophile Clostridium cellulolyticum, and psychrophile Pseudoalteromonas haloplanktis showed significant differences in intramolecular interactions (salt bridges and hydrogen bonds) that may account for the difference in their thermostabilities. The substrate complex structure in combination with a mutagenesis analysis of the catalytic residues implicates a distinctive catalytic module Glu167-His226-Glu283, which suggests that the histidine may function as an intermediate for the electron transfer network between the typical Glu-Glu catalytic module. Further investigation suggested that the aromatic residues Trp61, Trp204, Phe231, and Trp240 as well as polar residues Asn51, His127, Tyr228, and His235 in the active site not only participated in substrate binding but also provided a unique microenvironment suitable for catalysis. These results provide substantial insight into the unique characteristics of FnCel5A for catalysis and adaptation to extreme temperature. PMID:22128157

76 FR 29286 - Culturally Significant Objects Imported for Exhibition Determinations: “Pissarro's People”

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-20

... DEPARTMENT OF STATE [Public Notice 7462] Culturally Significant Objects Imported for Exhibition Determinations: ``Pissarro's People'' SUMMARY: Notice is hereby given of the following determinations: Pursuant... the exhibition ``Pissarro's People,'' imported from abroad for temporary exhibition within the United...

77 FR 52783 - Culturally Significant Objects Imported for Exhibition Determinations: “Federico Barocci...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-30

... DEPARTMENT OF STATE [Public Notice 8001] Culturally Significant Objects Imported for Exhibition Determinations: ``Federico Barocci: Renaissance Master'' SUMMARY: Notice is hereby given of the following... exhibition ``Federico Barocci: Renaissance Master,'' imported from abroad for temporary exhibition within the...

Different copolymer films on ZnFeCo particles: Synthesis and anticorrosion properties

NASA Astrophysics Data System (ADS)

Ozyilmaz, A. Tuncay; Avsar, Busra; Ozyilmaz, Gul; Karahan, İ. Hakkı; Camurcu, Taskin; Colak, Fatma

2014-11-01

Zinc-iron-cobalt (ZnFeCo) particles were electrochemically deposited on carbon steel (CS) electrode applying current of 3 mA with chronopotentiometry technique. ZnFeCo particles had homogenous, smooth with prismatic structure. It was shown that the ZnFeCo particles exhibited important barrier effect on CS substrate. Poly(aniline-co-o-anisidine), poly(aniline-co-pyrrole), poly(aniline-co-N-methylpyrrole) and poly(o-anisidine-co-pyrrole) copolymer films were obtained on CS/ZnFeCo electrode. Evaluation of anticorrosion performance of copolymer coatings in 3.5% NaCl solution was investigated by using AC impedance spectroscopy (EIS) technique, anodic polarization and the Eocp-time curves. Copolymer films exhibited significant physical barrier behavior on ZnFeCo plated carbon steel, in longer exposure time.

A tale of two seas: contrasting patterns of population structure in the small-spotted catshark across Europe

PubMed Central

Gubili, Chrysoula; Sims, David W.; Veríssimo, Ana; Domenici, Paolo; Ellis, Jim; Grigoriou, Panagiotis; Johnson, Andrew F.; McHugh, Matthew; Neat, Francis; Satta, Andrea; Scarcella, Giuseppe; Serra-Pereira, Bárbara; Soldo, Alen; Genner, Martin J.; Griffiths, Andrew M.

2014-01-01

Elasmobranchs represent important components of marine ecosystems, but they can be vulnerable to overexploitation. This has driven investigations into the population genetic structure of large-bodied pelagic sharks, but relatively little is known of population structure in smaller demersal taxa, which are perhaps more representative of the biodiversity of the group. This study explores spatial population genetic structure of the small-spotted catshark (Scyliorhinus canicula), across European seas. The results show significant genetic differences among most of the Mediterranean sample collections, but no significant structure among Atlantic shelf areas. The data suggest the Mediterranean populations are likely to have persisted in a stable and structured environment during Pleistocene sea-level changes. Conversely, the Northeast Atlantic populations would have experienced major changes in habitat availability during glacial cycles, driving patterns of population reduction and expansion. The data also provide evidence of male-biased dispersal and female philopatry over large spatial scales, implying complex sex-determined differences in the behaviour of elasmobranchs. On the basis of this evidence, we suggest that patterns of connectivity are determined by trends of past habitat stability that provides opportunity for local adaptation in species exhibiting philopatric behaviour, implying that resilience of populations to fisheries and other stressors may differ across the range of species. PMID:26064555

Effects of Monomer Structure on Their Organization and Polymerization in a Smectic Liquid Crystal

PubMed

Guymon; Hoggan; Clark; Rieker; Walba; Bowman

1997-01-03

Photopolymerizable diacrylate monomers dissolved in fluid-layer smectic A and smectic C liquid crystal (LC) hosts exhibited significant spatial segregation and orientation that depend strongly on monomer structure. Small, flexible monomers such as 1,6-hexanediol diacrylate (HDDA) oriented parallel to the smectic layers and intercalated, whereas rod-shaped mesogen-like monomers such as 1,4-di-(4-(6-acryloyloxyhexyloxy)benzoyloxy)-2-methylbenzene (C6M) oriented normal to the smectic layers and collected within them. Such spatial segregation caused by the smectic layering dramatically enhanced photopolymerization rates; for HDDA, termination rates were reduced, whereas for C6M, both the termination and propagation rates were increased. These polymerization precursor structures suggest novel materials-design paradigms for gel LCs and nanophase-separated polymer systems.

Lightweight Mechanical Metamaterials with Tunable Negative Thermal Expansion

NASA Astrophysics Data System (ADS)

Wang, Qiming; Jackson, Julie A.; Ge, Qi; Hopkins, Jonathan B.; Spadaccini, Christopher M.; Fang, Nicholas X.

2016-10-01

Ice floating on water is a great manifestation of negative thermal expansion (NTE) in nature. The limited examples of natural materials possessing NTE have stimulated research on engineered structures. Previous studies on NTE structures were mostly focused on theoretical design with limited experimental demonstration in two-dimensional planar geometries. In this work, aided with multimaterial projection microstereolithography, we experimentally fabricate lightweight multimaterial lattices that exhibit significant negative thermal expansion in three directions and over a temperature range of 170 degrees. Such NTE is induced by the structural interaction of material components with distinct thermal expansion coefficients. The NTE can be tuned over a large range by varying the thermal expansion coefficient difference between constituent beams and geometrical arrangements. Our experimental results match qualitatively with a simple scaling law and quantitatively with computational models.

Design, synthesis and structure-activity relationship of indoxacarb analogs as voltage-gated sodium channel blocker.

PubMed

Hao, Wenbo; Fu, Chunling; Yu, Huijuan; Chen, Jian; Xu, Hanhong; Shao, Guang; Jiang, Dingxin

2015-10-15

Indoxacarb, the first commercialized pyrazoline-type sodium-channel blocker, is a commonly used insecticide because of high selectivity. To discover sodium-channel blocker with high insecticidal activity, a series of novel indoxacarb analogs were designed and synthesized by judicious structural modifications of the substituent group of C5, C6 in indenone and C'4 in benzene ring. Some analogs exhibited significant insecticidal activities against Spodoptera litura F. and excellent BgNav1-1a channel inhibitory activity. The structure-activity analysis indicated that the presence of strong electron-withdrawing group and decreased steric hindrance of indenone ring (R(1), R(2)) in 5- and 6-position could enhance larvicidal activity and BgNav1-1a channel inhibitory activity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Fabrication of 3-D nanodimensioned electric double layer capacitor structures using block copolymer templates.

PubMed

Rasappa, Sozaraj; Borah, Dipu; Senthamaraikannan, Ramsankar; Faulkner, Colm C; Holmes, Justin D; Morris, Michael A

2014-07-01

The need for materials for high energy storage has led to very significant research in supercapacitor systems. These can exhibit electrical double layer phenomena and capacitances up to hundreds of F/g. Here, we demonstrate a new supercapacitor fabrication methodology based around the microphase separation of PS-b-PMMA which has been used to prepare copper nanoelectrodes of dimension -13 nm. These structures provide excellent capacitive performance with a maximum specific capacitance of -836 F/g for a current density of 8.06 A/g at a discharge current as high as 75 mA. The excellent performance is due to a high surface area: volume ratio. We suggest that this highly novel, easily fabricated structure might have a number of important applications.

Amorphous Metal Polysulfides: Electrode Materials with Unique Insertion/Extraction Reactions.

PubMed

Sakuda, Atsushi; Ohara, Koji; Fukuda, Katsutoshi; Nakanishi, Koji; Kawaguchi, Tomoya; Arai, Hajime; Uchimoto, Yoshiharu; Ohta, Toshiaki; Matsubara, Eiichiro; Ogumi, Zempachi; Okumura, Toyoki; Kobayashi, Hironori; Kageyama, Hiroyuki; Shikano, Masahiro; Sakaebe, Hikari; Takeuchi, Tomonari

2017-07-05

A unique charge/discharge mechanism of amorphous TiS 4 is reported. Amorphous transition metal polysulfide electrodes exhibit anomalous charge/discharge performance and should have a unique charge/discharge mechanism: neither the typical intercalation/deintercalation mechanism nor the conversion-type one, but a mixture of the two. Analyzing the mechanism of such electrodes has been a challenge because fewer tools are available to examine the "amorphous" structure. It is revealed that the electrode undergoes two distinct structural changes: (i) the deformation and formation of S-S disulfide bonds and (ii) changes in the coordination number of titanium. These structural changes proceed continuously and concertedly for Li insertion/extraction. The results of this study provide a novel and unique model of amorphous electrode materials with significantly larger capacities.

Fabrication of self-aligned, nanoscale, complex oxide varactors

NASA Astrophysics Data System (ADS)

Fu, Richard X.; Toonen, Ryan C.; Hirsch, Samuel G.; Ivill, Mathew P.; Cole, Melanie W.; Strawhecker, Kenneth E.

2015-01-01

Applications in ferroelectric random access memory and superparaelectric devices require the fabrication of ferroelectric capacitors at the nanoscale that exhibit extremely small leakage currents. To systematically study the material-size dependence of ferroelectric varactor performance, arrays of parallel-plate structures have been fabricated with nanoscale dielectric diameters. Electron beam lithography and inductively coupled plasma dry etching have been used to fabricate arrays of ferroelectric varactors using top electrodes as a self-aligned etch mask. Parallel-plate test structures using RF-sputtered Ba0.6Sr0.4TiO3 thin-films were used to optimize the fabrication process. Varactors with diameters down to 20 nm were successfully fabricated. Current-voltage (I-V) characteristics were measured to evaluate the significance of etch-damage and fabrication quality by ensuring low leakage currents through the structures.

A study of the origin of large magnetic field coupled electric polarization in HoAl(BO3)4

NASA Astrophysics Data System (ADS)

Yu, Tian; Zhang, Han; Tyson, Trevor; Chen, Zhiqiang; Abeykoon, Milinda; Nelson, Christie; Bezmaternykh, Leonard

2015-03-01

The multiferroic system RAl(BO3)4 is known to exhibit a strong coupling of magnetic field to the electrical polarization. Recently a giant magnetoelectric effect was found in HoAl3(BO3)4 system. This phenomenon is considered quite interesting because the value discovered is significantly higher than reported values of linear magnetoelectric or even multiferroic compounds. We are conducting detailed structural measurements to understand the coupling. We are exploring the local and long range structure in these systems using x-ray PDF, XAFS and single crystal diffraction measurement between 10 K and 400 K. Structural parameters including lattice parameters and ADPs are being determined over the full temperature range. This work is supported by DOE Grant DE-FG02-07ER46402.

ARE TORNADO-LIKE MAGNETIC STRUCTURES ABLE TO SUPPORT SOLAR PROMINENCE PLASMA?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luna, M.; Moreno-Insertis, F.; Priest, E.

Recent high-resolution and high-cadence observations have surprisingly suggested that prominence barbs exhibit apparent rotating motions suggestive of a tornado-like structure. Additional evidence has been provided by Doppler measurements. The observations reveal opposite velocities for both hot and cool plasma on the two sides of a prominence barb. This motion is persistent for several hours and has been interpreted in terms of rotational motion of prominence feet. Several authors suggest that such barb motions are rotating helical structures around a vertical axis similar to tornadoes on Earth. One of the difficulties of such a proposal is how to support cool prominencemore » plasma in almost-vertical structures against gravity. In this work we model analytically a tornado-like structure and try to determine possible mechanisms to support the prominence plasma. We have found that the Lorentz force can indeed support the barb plasma provided the magnetic structure is sufficiently twisted and/or significant poloidal flows are present.« less

Experimental Study on the Fire Properties of Nitrocellulose with Different Structures

PubMed Central

Wei, Ruichao; He, Yaping; Liu, Jiahao; He, Yu; Mi, Wenzhong; Yuen, Richard; Wang, Jian

2017-01-01

In order to ensure the safety of inflammable and explosive chemical substance such as nitrocellulose (NC) mixtures in the process of handing, storage, and usage, it is necessary to obtain the fire properties of NC with different exterior structures. In present study, fire properties of two commonly used nitrocelluloses with soft fiber structure and white chip structure were investigated by scanning electron microscope (SEM) and the ISO 5660 cone calorimeter. Experimental findings revealed that the most important fire properties such as ignition time, mass loss rate and ash content exhibited significant differences between the two structures of NC. Compared with the soft fiber NC, chip NC possesses a lower fire hazard, and its heat release rate intensity (HRRI) is mainly affected by the sample mass. In addition, oxygen consumption (OC) calorimetry method was compared with thermal chemistry (TC) method based on stoichiometry for HRRI calculation. HRRI results of NC with two structures obtained by these two methods showed a good consistency. PMID:28772675

Remodeling of the skeletal muscle microcirculation increases resistance to perfusion in obese Zucker rats.

PubMed

Frisbee, Jefferson C

2003-07-01

Whereas previous studies have demonstrated that the development of syndrome X in obese Zucker rats (OZR) is associated with impaired arteriolar reactivity to vasoactive stimuli, additional results from these studies indicate that the passive diameter of skeletal muscle arterioles is reduced in OZR versus lean Zucker rats (LZR). On the basis of these prior observations, the present study evaluated structural alterations to the skeletal muscle microcirculation as potential contributors to an elevated vascular resistance. Isolated skeletal muscle resistance arterioles exhibited a reduced passive diameter at all levels of intralumenal pressure and a left-shifted stress-strain curve in OZR versus LZR, indicative of structural remodeling of individual arterioles. Histological analyses using Griffonia simplicifolia I lectin-stained sections of skeletal muscle demonstrated reduced microvessel density (rarefaction) in OZR versus LZR, suggesting remodeling of entire microvascular networks. Finally, under maximally dilated conditions, constant flow-perfused skeletal muscle of OZR exhibited significant elevations in perfusion pressure versus LZR, indicative of an increased resistance to perfusion within the microcirculation. These data suggest that developing structural alterations to the skeletal muscle microcirculation in OZR result in elevated vascular resistance, which may, acting in concert with impaired arteriolar reactivity, contribute to blunted active hyperemic responses and compromised performance of in situ skeletal muscle with elevated metabolic demand.

The assembly of MreB, a prokaryotic homolog of actin.

PubMed

Esue, Osigwe; Cordero, Maria; Wirtz, Denis; Tseng, Yiider

2005-01-28

MreB, a major component of the bacterial cytoskeleton, exhibits high structural homology to its eukaryotic counterpart actin. Live cell microscopy studies suggest that MreB molecules organize into large filamentous spirals that support the cell membrane and play a key shape-determining function. However, the basic properties of MreB filament assembly remain unknown. Here, we studied the assembly of Thermotoga maritima MreB triggered by ATP in vitro and compared it to the well-studied assembly of actin. These studies show that MreB filament ultrastructure and polymerization depend crucially on temperature as well as the ions present on solution. At the optimal growth temperature of T. maritima, MreB assembly proceeded much faster than that of actin, without nucleation (or nucleation is highly favorable and fast) and with little or no contribution from filament end-to-end annealing. MreB exhibited rates of ATP hydrolysis and phosphate release similar to that of F-actin, however, with a critical concentration of approximately 3 nm, which is approximately 100-fold lower than that of actin. Furthermore, MreB assembled into filamentous bundles that have the ability to spontaneously form ring-like structures without auxiliary proteins. These findings suggest that despite high structural homology, MreB and actin display significantly different assembly properties.

The effect of titanium nickel nitride decorated carbon nanotubes-reduced graphene oxide hybrid support for methanol oxidation

NASA Astrophysics Data System (ADS)

Liu, Gen; Pan, Zhanchang; Li, Wuyi; Yu, Ke; Xia, Guowei; Zhao, Qixiang; Shi, Shikun; Hu, Guanghui; Xiao, Chumin; Wei, Zhigang

2017-07-01

Titanium nickel nitride (TiNiN) decorated three-dimensional (3D) carbon nanotubes-reduced graphene oxide (CNT-rGO), a fancy 3D platinum (Pt)-based catalyst hybrid support, is prepared by a solvothermal process followed by a nitriding process, which is tested as anodic catalyst support for the methanol oxidation reaction (MOR). The structure, morphology and composition of the synthesized TiNiN/CNT-rGO exhibits a uniform particle dispersion with high purity and interpenetrating 3D network structure. Notably, Pt/TiNiN/CNT-rGO catalyst exhibits significantly improved catalytic activity and durability for methanol oxidation in comparison with Pt/CNT-rGO and conventional Pt/C (JM). The outstanding electrochemical performance was attributed to structure and properties. That is, the 3D CNT-rGO provided a fast transport network for charge-transfer and mass-transfer as well as TiNiN NPs with good synergistic effect and the strong electronic coupling between different domains in TiNiN/CNT-rGO, thus the catalytic activity of the novel catalyst is greatly improved. These results evidences 3D TiNiN/CNT-rGO as a promising catalyst support for a wide range of applications in fuel cells.

Relaxor ferroelectricity and electric-field-driven structural transformation in the giant lead-free piezoelectric (Ba ,Ca ) (Ti ,Zr ) O3

NASA Astrophysics Data System (ADS)

Brajesh, Kumar; Tanwar, Khagesh; Abebe, Mulualem; Ranjan, Rajeev

2015-12-01

There is great interest in lead-free (B a0.85C a0.15 ) (T i0.90Z r0.10 ) O3 (15/10BCTZ) because of its exceptionally large piezoelectric response [Liu and Ren, Phys. Rev. Lett. 103, 257602 (2009), 10.1103/PhysRevLett.103.257602]. In this paper, we have analyzed the nature of: (i) crystallographic phase coexistence at room temperature, (ii) temperature- and field-induced phase transformation to throw light on the atomistic mechanisms associated with the large piezoelectric response of this system. A detailed temperature-dependent dielectric and lattice thermal expansion study proved that the system exhibits a weak dielectric relaxation, characteristic of a relaxor ferroelectric material on the verge of exhibiting a normal ferroelectric-paraelectric transformation. Careful structural analysis revealed that a ferroelectric state at room temperature is composed of three phase coexistences, tetragonal (P 4 m m )+ orthorhombic(Amm 2 )+rhombohedral(R 3 m ) . We also demonstrate that the giant piezoresponse is associated with a significant fraction of the tetragonal phase transforming to rhombohedral. It is argued that the polar nanoregions associated with relaxor ferroelectricity amplify the piezoresponse by providing an additional degree of intrinsic structural inhomogeneity to the system.

Pain Sensitivity is Inversely Related to Regional Grey Matter Density in the Brain

PubMed Central

Emerson, Nichole M.; Zeidan, Fadel; Lobanov, Oleg V.; Hadsel, Morten S.; Martucci, Katherine T.; Quevedo, Alexandre S.; Starr, Christopher J.; Nahman-Averbuch, Hadas; Weissman-Fogel, Irit; Granovsky, Yelena; Yarnitsky, David; Coghill, Robert C.

2014-01-01

Pain is a highly personal experience that varies substantially among individuals. In search of an anatomical correlate of pain sensitivity we used voxel-based morphometry (VBM) to investigate the relationship between grey matter density across the whole brain and inter-individual differences in pain sensitivity in 116 healthy volunteers (62 females, 54 males). Structural MRI and psychophysical data from 10 previous fMRI studies were used. Age, sex, unpleasantness ratings, scanner sequence, and sensory testing location were added to the model as covariates. Regression analysis of grey matter density across the whole brain and thermal pain intensity ratings at 49°C revealed a significant inverse relationship between pain sensitivity and grey matter density in bilateral regions of the posterior cingulate cortex, precuneus, intraparietal sulcus, and inferior parietal lobule. Unilateral regions of the left primary somatosensory cortex also exhibited this inverse relationship. No regions exhibited a positive relationship to pain sensitivity. These structural variations occurred in areas associated with the default mode network, attentional direction and shifting, as well as somatosensory processing. These findings underscore the potential importance of processes related to default mode thought and attention in shaping individual differences in pain sensitivity and indicate that pain sensitivity can potentially be predicted on the basis of brain structure. PMID:24333778

Evaluation of high temperature structural adhesives for extended service

NASA Technical Reports Server (NTRS)

Hill, S. G.; Peters, P. D.; Hendricks, C. L.

1981-01-01

The long term thermal aging data initiated in Phase 1 is reported. All candidate adhesive systems have exhibited significant degradation in bond properties after 505K (450 F) 10,000 hour exposure. Failures appear to be adhesive in the oxide layer. Phase 2 chemical characterization, cure cycle studies, baseline data, preliminary specifications, and environmental exposure data generated on polyphenyquinoxaline is presented. Similar but limited data on LARC-13 and NR056X adhesives is reported.

Feedback system design with an uncertain plant

NASA Technical Reports Server (NTRS)

Milich, D.; Valavani, L.; Athans, M.

1986-01-01

A method is developed to design a fixed-parameter compensator for a linear, time-invariant, SISO (single-input single-output) plant model characterized by significant structured, as well as unstructured, uncertainty. The controller minimizes the H(infinity) norm of the worst-case sensitivity function over the operating band and the resulting feedback system exhibits robust stability and robust performance. It is conjectured that such a robust nonadaptive control design technique can be used on-line in an adaptive control system.

Antimicrobial prenylated dihydrochalcones from Eriosema glomerata.

PubMed

Awouafack, Maurice D; Kouam, Simeon F; Hussain, Hidayat; Ngamga, Dieudonne; Tane, Pierre; Schulz, Barbara; Green, Ivan R; Krohn, Karsten

2008-01-01

Two new natural dihydrochalcones exhibiting antimicrobial properties together with six known compounds were isolated from the Cameroonian medicinal plant Eriosema glomerata. The structures of the new dihydrochalcones were elucidated as 2',4'-dihydroxy-4-methoxy-3'-( gamma, gamma-dimethylallyl)dihydrochalcone and 2',4'-dihydroxy-3'-( gamma, gamma-dimethylallyl)dihydrochalcone by detailed spectroscopic analysis. The two new dihydrochalcones, named erioschalcones A ( 1) and B ( 2), demonstrated significant inhibitory activity against the microbial strains Bacillus megaterium, Escherichia coli, Chlorella fusca and Microbotryum violaceum.

The components of mid- and far-infrared emission from S0 and early-type shell galaxies

NASA Technical Reports Server (NTRS)

Thronson, Harley A., Jr.; Bally, John; Hacking, Perry

1989-01-01

The IRAS database has been used to study detections of about 150 early-type elliptical and S0 galaxies exhibiting a shell structure. No strong evidence for the expected enhancement of either star formation rates or heating of the interstellar medium is found. It is suggested that for some of the sample galaxies either a contribution from warm dust surrounding evolved stars or emission from an active nucleus may be significant.

Nano structural anodes for radiation detectors

DOEpatents

Cordaro, Joseph V.; Serkiz, Steven M.; McWhorter, Christopher S.; Sexton, Lindsay T.; Retterer, Scott T.

2015-07-07

Anodes for proportional radiation counters and a process of making the anodes is provided. The nano-sized anodes when present within an anode array provide: significantly higher detection efficiencies due to the inherently higher electric field, are amenable to miniaturization, have low power requirements, and exhibit a small electromagnetic field signal. The nano-sized anodes with the incorporation of neutron absorbing elements (e.g., .sup.10B) allow the use of neutron detectors that do not use .sup.3He.

Enhanced ultraviolet photo-response in Dy doped ZnO thin film

NASA Astrophysics Data System (ADS)

Kumar, Pawan; Singh, Ranveer; Pandey, Praveen C.

2018-02-01

In the present work, a Dy doped ZnO thin film deposited by the spin coating method has been studied for its potential application in a ZnO based UV detector. The investigations on the structural property and surface morphology of the thin film ensure that the prepared samples are crystalline and exhibit a hexagonal crystal structure of ZnO. A small change in crystallite size has been observed due to Dy doping in ZnO. AFM analysis ascertains the grain growth and smooth surface of the thin films. The Dy doped ZnO thin film exhibits a significant enhancement in UV region absorption as compared to the pure ZnO thin film, which suggests that Dy doped ZnO can be used as a UV detector. Under UV irradiation of wavelength 325 nm, the photocurrent value of Dy doped ZnO is 105.54 μA at 4.5 V, which is 31 times greater than that of the un-doped ZnO thin film (3.39 μA). The calculated value of responsivity is found to increase significantly due to the incorporation of Dy in the ZnO lattice. The observed higher value of photocurrent and responsivity could be attributed to the substitution of Dy in the ZnO lattice, which enhances the conductivity, electron mobility, and defects in ZnO and benefits the UV sensing property.

Effect of mastication and other mechanical treatments on fuel structure in chaparral

USGS Publications Warehouse

Brennan, Teresa J.; Keeley, Jon E.

2015-01-01

Mechanical fuel treatments are a common pre-fire strategy for reducing wildfire hazard that alters fuel structure by converting live canopy fuels to a compacted layer of dead surface fuels. Current knowledge concerning their effectiveness, however, comes primarily from forest-dominated ecosystems. Our objectives were to quantify and compare changes in shrub-dominated chaparral following crushing, mastication, re-mastication and mastication-plus-burning treatments, and to assess treatment longevity. Results from analysis of variance (ANOVA) identified significant differences in all fuel components by treatment type, vegetation type and time since treatment. Live woody fuel components of height, cover and mass were positively correlated with time since treatment, whereas downed woody fuel components were negatively correlated. Herbaceous fuels, conversely, were not correlated, and exhibited a 5-fold increase in cover across treatment types in comparison to controls. Average live woody fuel recovery was 50% across all treatment and vegetation types. Differences in recovery between time-since-treatment years 1–8 ranged from 32–65% and exhibited significant positive correlations with time since treatment. These results suggest that treatment effectiveness is short term due to the rapid regrowth of shrubs in these systems and is compromised by the substantial increase in herbaceous fuels. Consequences of not having a full understanding of these treatments are serious and leave concern for their widespread use on chaparral-dominated landscapes.

Unified molecular picture of the surfaces of aqueous acid, base, and salt solutions.

PubMed

Mucha, Martin; Frigato, Tomaso; Levering, Lori M; Allen, Heather C; Tobias, Douglas J; Dang, Liem X; Jungwirth, Pavel

2005-04-28

The molecular structure of the interfacial regions of aqueous electrolytes is poorly understood, despite its crucial importance in many biological, technological, and atmospheric processes. A long-term controversy pertains between the standard picture of an ion-free surface layer and the strongly ion specific behavior indicating in many cases significant propensities of simple inorganic ions for the interface. Here, we present a unified and consistent view of the structure of the air/solution interface of aqueous electrolytes containing monovalent inorganic ions. Molecular dynamics calculations show that in salt solutions and bases the positively charged ions, such as alkali cations, are repelled from the interface, whereas the anions, such as halides or hydroxide, exhibit a varying surface propensity, correlated primarily with the ion polarizability and size. The behavior of acids is different due to a significant propensity of hydronium cations for the air/solution interface. Therefore, both cations and anions exhibit enhanced concentrations at the surface and, consequently, these acids (unlike bases and salts) reduce the surface tension of water. The results of the simulations are supported by surface selective nonlinear vibrational spectroscopy, which reveals among other things that the hydronium cations are present at the air/solution interface. The ion specific propensities for the air/solution interface have important implications for a whole range of heterogeneous physical and chemical processes, including atmospheric chemistry of aerosols, corrosion processes, and bubble coalescence.

Optical and biological properties of plasma-treated Neurospora crassa spores as studied by absorption, circular dichroism, and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Geon Joon; Park, Gyungsoon; Choi, Eun Ha

2017-11-01

We studied the effect of plasma treatment on the optical, structural and biological properties of Neurospora crassa ( N. crassa) spores. An atmospheric-pressure plasma jet (APPJ) was used to generate reactive oxygen and nitrogen species in aqueous solution. The APPJ treatment of N. crassa spores in water significantly reduced the viability of spores. The reduction in the spore viability can be attributed to the reactive species from the plasma itself and those derived from the reaction of plasma radicals with aqueous solution. These structural modifications were contingent on the medium in which N. crassa spores were suspended; plasma treatment of N. crassa spores in PBS did not significantly affect the viability of spores as compared with N. crassa spores in water. Scanning electron microscopy images and circular dichroism spectra indicated that the spore cell wall was damaged by plasma treatment. The optical absorption spectrum of untreated N. crassa spores exhibited two resonance absorption bands at approximately λ1 ≈ 260 nm and λ2 ≈ 472 nm, originating from deoxyribonucleic acid (DNA) and β-carotene. The Raman spectrum of untreated N. crassa spores exhibited three main peaks at 1519, 1157 and 1006 cm -1, attributed to β-carotene inside the cell wall. The Raman spectra showed that the APPJ treatment of N. crassa spores in water caused degradation of β-carotene, affecting the viability of spores.

78 FR 28274 - Culturally Significant Objects Imported for Exhibition Determinations: “Medieval Treasures from...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-14

... DEPARTMENT OF STATE [Public Notice 8321] Culturally Significant Objects Imported for Exhibition Determinations: ``Medieval Treasures from Hildesheim'' SUMMARY: Notice is hereby given of the following... exhibition ``Medieval Treasures from Hildesheim,'' imported from abroad for temporary exhibition within the...

76 FR 12399 - Culturally Significant Objects Imported for Exhibition Determinations: “Paris: Life & Luxury”

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2011-03-07

... DEPARTMENT OF STATE [Public Notice 7355] Culturally Significant Objects Imported for Exhibition Determinations: ``Paris: Life & Luxury'' SUMMARY: Notice is hereby given of the following determinations... the exhibition ``Paris: Life & Luxury,'' imported from abroad for temporary exhibition within the...

78 FR 5556 - Culturally Significant Objects Imported for Exhibition Determinations: “Frida & Diego: Passion...

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2013-01-25

... DEPARTMENT OF STATE [Public Notice 8160] Culturally Significant Objects Imported for Exhibition Determinations: ``Frida & Diego: Passion, Politics and Painting'' SUMMARY: Notice is hereby given of the... exhibition ``Frida & Diego: Passion, Politics and Painting,'' imported from abroad for temporary exhibition...

76 FR 5236 - Culturally Significant Objects Imported for Exhibition Determinations: “Upside Down Arctic...

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2011-01-28

... DEPARTMENT OF STATE [Public Notice: 7314] Culturally Significant Objects Imported for Exhibition Determinations: ``Upside Down Arctic Realities'' SUMMARY: Notice is hereby given of the following determinations... the exhibition ``Upside Down Arctic Realities,'' imported from abroad for temporary exhibition within...

75 FR 53730 - Culturally Significant Objects Imported for Exhibition Determinations: “Richard Hawkins-Third Mind”

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2010-09-01

... DEPARTMENT OF STATE [Public Notice 7148] Culturally Significant Objects Imported for Exhibition Determinations: ``Richard Hawkins--Third Mind'' SUMMARY: Notice is hereby given of the following determinations... the exhibition ``Richard Hawkins--Third Mind,'' imported from abroad for temporary exhibition within...

77 FR 65245 - Culturally Significant Objects Imported for Exhibition Determinations: “Portrait of Spain...

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2012-10-25

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76 FR 58075 - Culturally Significant Objects Imported for Exhibition Determinations: “Sanja Iveković: Sweet...

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2011-09-19

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76 FR 58074 - Culturally Significant Objects Imported for Exhibition Determinations: “Sanja Iveković: Sweet...

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2011-09-19

... DEPARTMENT OF STATE [Public Notice: 7590] Culturally Significant Objects Imported for Exhibition Determinations: ``Sanja Ivekovi[cacute]: Sweet Violence'' SUMMARY: Notice is hereby given of the following... exhibition ``Sanja Ivekovi[cacute]: Sweet Violence,'' imported from abroad for temporary exhibition within...

77 FR 17104 - Culturally Significant Objects Imported for Exhibition Determinations: “Ecstatic Alphabets/Heaps...

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2012-03-23

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76 FR 23642 - Culturally Significant Objects Imported for Exhibition Determinations: “Projects 95: Runa Islam”

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2011-04-27

... DEPARTMENT OF STATE [Public Notice: 7433] Culturally Significant Objects Imported for Exhibition Determinations: ``Projects 95: Runa Islam'' SUMMARY: Notice is hereby given of the following determinations... the exhibition ``Projects 95: Runa Islam'' imported from abroad for temporary exhibition within the...

78 FR 52996 - Culturally Significant Objects Imported for Exhibition Determinations: “Face to Face: Flanders...

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2013-08-27

... DEPARTMENT OF STATE [Public Notice 8441] Culturally Significant Objects Imported for Exhibition Determinations: ``Face to Face: Flanders, Florence, and Renaissance Painting'' Exhibition SUMMARY: Notice is... objects to be included in the exhibition ``Face to Face: Flanders, Florence, and Renaissance Painting...

77 FR 41473 - Culturally Significant Objects Imported for Exhibition Determinations: “Projects 98: Slavs and...

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2012-07-13

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75 FR 39724 - Culturally Significant Objects Imported for Exhibition Determinations: “Arcimboldo (1526-1593...

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2010-07-12

... DEPARTMENT OF STATE [Public Notice: 7084] Culturally Significant Objects Imported for Exhibition Determinations: ``Arcimboldo (1526-1593): Nature and Fantasy'' SUMMARY: Notice is hereby given of the following... exhibition ``Arcimboldo (1526-1593): Nature and Fantasy,'' imported from abroad for temporary exhibition...

76 FR 63701 - Culturally Significant Objects Imported for Exhibition Determinations: “Johan Zoffany RA: Society...

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2011-10-13

... DEPARTMENT OF STATE [Public Notice: 7642] Culturally Significant Objects Imported for Exhibition Determinations: ``Johan Zoffany RA: Society Observed'' SUMMARY: Notice is hereby given of the following... exhibition ``Johan Zoffany RA: Society Observed,'' imported from abroad for temporary exhibition within the...

75 FR 8424 - Culturally Significant Objects Imported for Exhibition Determinations: “Leaves From an Austrian...

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2010-02-24

... DEPARTMENT OF STATE [Public Notice 6904] Culturally Significant Objects Imported for Exhibition Determinations: ``Leaves From an Austrian Mahzor'' SUMMARY: Notice is hereby given of the following... exhibition ``Leaves from an Austrian Mahzor,'' imported from abroad for temporary exhibition within the...

78 FR 45285 - Culturally Significant Objects Imported for Exhibition Determinations: “Egypt's Mysterious Book...

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2013-07-26

... DEPARTMENT OF STATE [Public Notice 8393] Culturally Significant Objects Imported for Exhibition Determinations: ``Egypt's Mysterious Book of the Faiyum'' SUMMARY: Notice is hereby given of the following... exhibition ``Egypt's Mysterious Book of the Faiyum,'' imported from abroad for temporary exhibition within...

75 FR 38589 - Culturally Significant Objects Imported for Exhibition Determinations: “Venice: Canaletto and His...

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2010-07-02

... DEPARTMENT OF STATE [Public Notice: 7072] Culturally Significant Objects Imported for Exhibition Determinations: ``Venice: Canaletto and His Rivals'' SUMMARY: Notice is hereby given of the following... exhibition ``Venice: Canaletto and His Rivals,'' imported from abroad for temporary exhibition within the...

76 FR 34123 - Culturally Significant Objects Imported for Exhibition Determinations: “Lee Ufan: Marking Infinity”

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2011-06-10

... DEPARTMENT OF STATE [Public Notice 7501] Culturally Significant Objects Imported for Exhibition Determinations: ``Lee Ufan: Marking Infinity'' SUMMARY: Notice is hereby given of the following determinations... the exhibition ``Lee Ufan: Marking Infinity,'' imported from abroad for temporary exhibition within...

77 FR 39319 - Culturally Significant Objects Imported for Exhibition Determinations: “Bodies and Shadows...

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2012-07-02

... DEPARTMENT OF STATE [Public Notice 7941] Culturally Significant Objects Imported for Exhibition Determinations: ``Bodies and Shadows: Caravaggio and His Legacy'' SUMMARY: Notice is hereby given of the... exhibition ``Bodies and Shadows: Caravaggio and His Legacy'' imported from abroad for temporary exhibition...

77 FR 23318 - Culturally Significant Object Imported for Exhibition Determinations: “African Cosmos: Stellar Arts”

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2012-04-18

... DEPARTMENT OF STATE [Public Notice 7850] Culturally Significant Object Imported for Exhibition Determinations: ``African Cosmos: Stellar Arts'' SUMMARY: Notice is hereby given of the following determinations... the exhibition ``African Cosmos: Stellar Arts,'' imported from abroad for temporary exhibition within...

Native State Volume Fluctuations in Proteins as a Mechanism for Dynamic Allostery.

PubMed

Law, Anthony B; Sapienza, Paul J; Zhang, Jun; Zuo, Xiaobing; Petit, Chad M

2017-03-15

Allostery enables tight regulation of protein function in the cellular environment. Although existing models of allostery are firmly rooted in the current structure-function paradigm, the mechanistic basis for allostery in the absence of structural change remains unclear. In this study, we show that a typical globular protein is able to undergo significant changes in volume under native conditions while exhibiting no additional changes in protein structure. These native state volume fluctuations were found to correlate with changes in internal motions that were previously recognized as a source of allosteric entropy. This finding offers a novel mechanistic basis for allostery in the absence of canonical structural change. The unexpected observation that function can be derived from expanded, low density protein states has broad implications for our understanding of allostery and suggests that the general concept of the native state be expanded to allow for more variable physical dimensions with looser packing.

Ultrastructural diversity between centrioles of eukaryotes.

PubMed

Gupta, Akshari; Kitagawa, Daiju

2018-02-16

Several decades of centriole research have revealed the beautiful symmetry present in these microtubule-based organelles, which are required to form centrosomes, cilia, and flagella in many eukaryotes. Centriole architecture is largely conserved across most organisms, however, individual centriolar features such as the central cartwheel or microtubule walls exhibit considerable variability when examined with finer resolution. Here, we review the ultrastructural characteristics of centrioles in commonly studied organisms, highlighting the subtle and not-so-subtle differences between specific structural components of these centrioles. Additionally, we survey some non-canonical centriole structures that have been discovered in various species, from the coaxial bicentrioles of protists and lower land plants to the giant irregular centrioles of the fungus gnat Sciara. Finally, we speculate on the functional significance of these differences between centrioles, and the contribution of individual structural elements such as the cartwheel or microtubules towards the stability of centrioles.Centriole structure, cartwheel, triplet microtubules, SAS-6, centrosome.

Facile Control of the Porous Structure of Larch-Derived Mesoporous Carbons via Self-Assembly for Supercapacitors

PubMed Central

Zhao, Xin; Li, Wei; Chen, Honglei; Wang, Shoujuan; Kong, Fangong; Liu, Shouxin

2017-01-01

Mesoporous carbons have been successfully synthesized via self-assembly using larch-based resins as precursors and triblock copolymers as soft templates. The porous structure of mesoporous carbons can be tailored by adjusting the ratio of hydrophilic/hydrophobic (EO/PO) units owing to interfacial curvature. Interestingly, the porous structures show a distinct change from vortex-like to worm-like pores, to stripe-like pores, and to ordered two-dimensional hexagonal pores as the ratio of hydrophilic/hydrophobic units increases, indicating the significant effect of EO/PO ratio on the porous structure. The mesoporous carbons as supercapacitor electrodes exhibit superior electrochemical capacitive performance and a high degree of reversibility after 2000 cycles for supercapacitors due to the well-defined mesoporosity of the carbon materials. Meanwhile, the superior carbon has a high specific capacitance of 107 F·g−1 in 6 M KOH at a current density of 10 A·g−1. PMID:29156641

Facile Control of the Porous Structure of Larch-Derived Mesoporous Carbons via Self-Assembly for Supercapacitors.

PubMed

Zhao, Xin; Li, Wei; Chen, Honglei; Wang, Shoujuan; Kong, Fangong; Liu, Shouxin

2017-11-20

Mesoporous carbons have been successfully synthesized via self-assembly using larch-based resins as precursors and triblock copolymers as soft templates. The porous structure of mesoporous carbons can be tailored by adjusting the ratio of hydrophilic/hydrophobic (EO/PO) units owing to interfacial curvature. Interestingly, the porous structures show a distinct change from vortex-like to worm-like pores, to stripe-like pores, and to ordered two-dimensional hexagonal pores as the ratio of hydrophilic/hydrophobic units increases, indicating the significant effect of EO/PO ratio on the porous structure. The mesoporous carbons as supercapacitor electrodes exhibit superior electrochemical capacitive performance and a high degree of reversibility after 2000 cycles for supercapacitors due to the well-defined mesoporosity of the carbon materials. Meanwhile, the superior carbon has a high specific capacitance of 107 F·g -1 in 6 M KOH at a current density of 10 A·g -1 .

Bioinformatics and molecular modeling in glycobiology

PubMed Central

Schloissnig, Siegfried

2010-01-01

The field of glycobiology is concerned with the study of the structure, properties, and biological functions of the family of biomolecules called carbohydrates. Bioinformatics for glycobiology is a particularly challenging field, because carbohydrates exhibit a high structural diversity and their chains are often branched. Significant improvements in experimental analytical methods over recent years have led to a tremendous increase in the amount of carbohydrate structure data generated. Consequently, the availability of databases and tools to store, retrieve and analyze these data in an efficient way is of fundamental importance to progress in glycobiology. In this review, the various graphical representations and sequence formats of carbohydrates are introduced, and an overview of newly developed databases, the latest developments in sequence alignment and data mining, and tools to support experimental glycan analysis are presented. Finally, the field of structural glycoinformatics and molecular modeling of carbohydrates, glycoproteins, and protein–carbohydrate interaction are reviewed. PMID:20364395

Structural enhancement of ZnO on SiO2 for photonic applications

NASA Astrophysics Data System (ADS)

Ruth, Marcel; Meier, Cedrik

2013-07-01

Multi-layer thin films are often the basis of photonic devices. Zinc oxide (ZnO) with its excellent optoelectronic properties can serve as a high quality emitter in structures like microdisks or photonic crystals. Here, we present a detailed study on the enhancement of the structural properties of low-temperature MBE grown ZnO on silica (SiO2). By thermal annealing a grain coalescence of the initially polycrystalline layer leads to an enhancement of the electronic structure, indicated by a blue shift of the photoluminescence (PL) signal maximum. Oxygen atmosphere during the annealing process prevents the creation of intrinsic defects by out-diffusion. Pre-annealing deposited SiO2 capping layers instead obstruct the recrystallization and lead to less intense emission. While thin capping layers partially detach from the ZnO film at high temperatures and cause higher surface roughness and the weakest emission, thicker layers remain smoother and exhibit a significantly stronger photoluminescence.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Law, Anthony B.; Sapienza, Paul J.; Zhang, Jun

Allostery enables tight regulation of protein function in the cellular environment. While existing models of allostery are firmly rooted in the current structure-function paradigm, the mechanistic basis for allostery in the absence of structural change remains unclear. In this study, we show that a typical globular protein is able to undergo significant changes in volume under native conditions while exhibiting no additional changes in protein structure. These native state volume fluctuations were found to correlate with changes in internal motions that were previously recognized as a source of allosteric entropy. This finding offers a novel mechanistic basis for allostery inmore » the absence of canonical structural change. As a result, the unexpected observation that function can be derived from expanded, low density protein states has broad implications for our understanding of allostery and suggests that the general concept of the native state be expanded to allow for more variable physical dimensions with looser packing.« less

Network Ecology and Adolescent Social Structure

PubMed Central

McFarland, Daniel A.; Moody, James; Diehl, David; Smith, Jeffrey A.; Thomas, Reuben J.

2014-01-01

Adolescent societies—whether arising from weak, short-term classroom friendships or from close, long-term friendships—exhibit various levels of network clustering, segregation, and hierarchy. Some are rank-ordered caste systems and others are flat, cliquish worlds. Explaining the source of such structural variation remains a challenge, however, because global network features are generally treated as the agglomeration of micro-level tie-formation mechanisms, namely balance, homophily, and dominance. How do the same micro-mechanisms generate significant variation in global network structures? To answer this question we propose and test a network ecological theory that specifies the ways features of organizational environments moderate the expression of tie-formation processes, thereby generating variability in global network structures across settings. We develop this argument using longitudinal friendship data on schools (Add Health study) and classrooms (Classroom Engagement study), and by extending exponential random graph models to the study of multiple societies over time. PMID:25535409

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tyson, T. A.; Gao, W.; Chen, Y. -S.

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3NH 3PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetriesmore » in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.« less

Network Ecology and Adolescent Social Structure.

PubMed

McFarland, Daniel A; Moody, James; Diehl, David; Smith, Jeffrey A; Thomas, Reuben J

2014-12-01

Adolescent societies-whether arising from weak, short-term classroom friendships or from close, long-term friendships-exhibit various levels of network clustering, segregation, and hierarchy. Some are rank-ordered caste systems and others are flat, cliquish worlds. Explaining the source of such structural variation remains a challenge, however, because global network features are generally treated as the agglomeration of micro-level tie-formation mechanisms, namely balance, homophily, and dominance. How do the same micro-mechanisms generate significant variation in global network structures? To answer this question we propose and test a network ecological theory that specifies the ways features of organizational environments moderate the expression of tie-formation processes, thereby generating variability in global network structures across settings. We develop this argument using longitudinal friendship data on schools (Add Health study) and classrooms (Classroom Engagement study), and by extending exponential random graph models to the study of multiple societies over time.

Intercalation of sulfonated melamine formaldehyde polycondensates into a hydrocalumite LDH structure

NASA Astrophysics Data System (ADS)

von Hoessle, F.; Plank, J.; Leroux, F.

2015-05-01

A series of sulfonated melamine formaldehyde (SMF) polycondensates possessing different anionic charge amounts and molecular weights was synthesized and incorporated into a hydrocalumite type layered double hydroxide structure using the rehydration method. For this purpose, tricalcium aluminate was dispersed in water and hydrated in the presence of these polymers. Defined inorganic-organic hybrid materials were obtained as reaction products. All SMF polymers tested intercalated readily into the hydrocalumite structure, independent of their different molecular weights (chain lengths) and anionic charge amounts. X-ray diffraction revealed typical patterns for weakly ordered, highly polymer loaded LDH materials which was confirmed via elemental analysis and thermogravimetry. IR spectroscopy suggests that the SMF polymers are interleaved between the [Ca2Al(OH)6]+ main sheets via electrostatic interaction, and that no chemical bond between the host matrix and the guest anion is formed. The SMF polymers well ensconced within the LDH structure exhibit significantly slower thermal degradation.

Influence of N2 annealing on TiO2 tubes structure and its photocatalytic activity

NASA Astrophysics Data System (ADS)

Chen, Xiaoxiang; Pan, Zhanchang; Yu, Ke; Xiao, Jun; Wu, Shoukun; Li, Jinghong; Chen, Chun; Lin, Yingsheng; Hu, Guanghui; Xu, Yanbin

2018-02-01

In this work, the TiO2 tubes (TBs) were prepared by solvothermal method. The morphology and phase structure of TiO2 TBs is significantly affected by N2 annealing temperature. XRD was used to characterize the phase structure of the as-prepared samples. The morphology and surface areas were characterized by SEM and N2 adsorption-desorption, which show that the tubes were assembled with about 100-nm nanosheets and small ball particles under 400 and 600 °C N2 annealing; when temperature reached 800 °C, the surface of tubes appeared a lot of collapse and many large holes. In addition, the surface areas of 400 °C TiO2, 600 °C TiO2, and 800 °C TiO2 TBs were significantly affected by N2 annealing. Most importantly, the UV-vis and electrochemical tests demonstrate 600 °C TiO2 TBs exhibit higher absorption intensity and photocurrent; thus, it possess on better photocatalytic activity. Therefore, the photocatalytic performance for TiO2 TBs is significantly co-affected by surface area and mix-phase. [Figure not available: see fulltext.

Structure and mechanical properties of improved cast stainless steels for nuclear applications

NASA Astrophysics Data System (ADS)

Kenik, E. A.; Busby, J. T.; Gussev, M. N.; Maziasz, P. J.; Hoelzer, D. T.; Rowcliffe, A. F.; Vitek, J. M.

2017-01-01

Casting of stainless steels is a promising and cost saving way of directly producing large and complex structures, such a shield modules or divertors for the ITER. In the present work, a series of modified high-nitrogen cast stainless steels has been developed and characterized. The steels, based on the cast equivalent of the composition of 316 stainless steel, have increased N (0.14-0.36%) and Mn (2-5.1%) content; copper was added to one of the heats. Mechanical tests were conducted with non-irradiated and 0.7 dpa neutron irradiated specimens. It was established that alloying by nitrogen significantly improves the yield stress of non-irradiated steels and the deformation hardening rate. Manganese tended to decrease yield stress but increased radiation hardening. The role of copper on mechanical properties was negligibly small. Analysis of structure was conducted using SEM-EDS and the nature and compositions of the second phases and inclusions were analyzed in detail. No ferrite formation or significant precipitation were observed in the modified steels. It was shown that the modified steels, compared to reference material (commercial cast 316L steel), had better strength level, exhibit significantly reduced elemental inhomogeneity and only minor second phase formation.

77 FR 26353 - Culturally Significant Objects Imported for Exhibition Determinations: “Lygia Clark”

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-03

... DEPARTMENT OF STATE [Public Notice 7867] Culturally Significant Objects Imported for Exhibition Determinations: ``Lygia Clark'' SUMMARY: Notice is hereby given of the following determinations: Pursuant to the... in the exhibition ``Lygia Clark,'' within the United States, are of cultural significance. The...

Graphene nanoplatelets induced heterogeneous bimodal structural magnesium matrix composites with enhanced mechanical properties

PubMed Central

Xiang, Shulin; Wang, Xiaojun; Gupta, Manoj; Wu, Kun; Hu, Xiaoshi; Zheng, Mingyi

2016-01-01

In this work, graphene nanoplatelets (GNPs) reinforced magnesium (Mg) matrix composites were synthesised using the multi-step dispersion route. Well-dispersed but inhomogeneously distributed GNPs were obtained in the matrix. Compared with the monolithic alloy, the nanocomposites exhibited dramatically enhanced Young’s modulus, yield strength and ultimate tensile strength and relatively high plasticity, which mainly attributed to the significant heterogeneous laminated microstructure induced by the addition of GNPs. With increasing of the concentration of GNPs, mechanical properties of the composites were gradually improved. Especially, the strengthening efficiency of all the composites exceeded 100%, which was significantly higher than that of carbon nanotubes reinforced Mg matrix composites. The grain refinement and load transfer provided by the two-dimensional and wrinkled surface structure of GNPs were the dominated strengthening mechanisms of the composites. This investigation develops a new method for incorporating GNPs in metals for fabricating high-performance composites. PMID:27941839

Graphene nanoplatelets induced heterogeneous bimodal structural magnesium matrix composites with enhanced mechanical properties

NASA Astrophysics Data System (ADS)

Xiang, Shulin; Wang, Xiaojun; Gupta, Manoj; Wu, Kun; Hu, Xiaoshi; Zheng, Mingyi

2016-12-01

In this work, graphene nanoplatelets (GNPs) reinforced magnesium (Mg) matrix composites were synthesised using the multi-step dispersion route. Well-dispersed but inhomogeneously distributed GNPs were obtained in the matrix. Compared with the monolithic alloy, the nanocomposites exhibited dramatically enhanced Young’s modulus, yield strength and ultimate tensile strength and relatively high plasticity, which mainly attributed to the significant heterogeneous laminated microstructure induced by the addition of GNPs. With increasing of the concentration of GNPs, mechanical properties of the composites were gradually improved. Especially, the strengthening efficiency of all the composites exceeded 100%, which was significantly higher than that of carbon nanotubes reinforced Mg matrix composites. The grain refinement and load transfer provided by the two-dimensional and wrinkled surface structure of GNPs were the dominated strengthening mechanisms of the composites. This investigation develops a new method for incorporating GNPs in metals for fabricating high-performance composites.

Determining light requirements of groundcover plants from subtropical natural forest using hemispherical photography

NASA Astrophysics Data System (ADS)

Zhang, Yi; Zhong, Yonglin; Xu, Mingfeng; Su, Zhiyao

2017-01-01

In order to determine light requirements of indigenous groundcover plants for potential use in urban landscaping, we conducted a plant census in Yinpingshan Nature Reserve, Dongguan, China, and measured canopy structure and understory light regimes using hemispherical photography. We found that canopy openness, transmitted direct solar radiation, and transmitted diffuse solar radiation exhibited highly significant spatial heterogeneity. Species composition and diversity of groundcover plants were highly dependent on canopy structure and understory light condition. Greater diversity and more stems of groundcover plants were associated with greater canopy openness and understory radiation in most cases. Highly significant differences in species composition were detected along canopy openness, transmitted direct solar radiation, and transmitted diffuse solar radiation gradients, respectively. We also detected indicator species for specific understory light regimes, which will provide useful information when applying such species in urban greening under various light environments.

Bio-inspired Fabrication of Complex Hierarchical Structure in Silicon.

PubMed

Gao, Yang; Peng, Zhengchun; Shi, Tielin; Tan, Xianhua; Zhang, Deqin; Huang, Qiang; Zou, Chuanping; Liao, Guanglan

2015-08-01

In this paper, we developed a top-down method to fabricate complex three dimensional silicon structure, which was inspired by the hierarchical micro/nanostructure of the Morpho butterfly scales. The fabrication procedure includes photolithography, metal masking, and both dry and wet etching techniques. First, microscale photoresist grating pattern was formed on the silicon (111) wafer. Trenches with controllable rippled structures on the sidewalls were etched by inductively coupled plasma reactive ion etching Bosch process. Then, Cr film was angled deposited on the bottom of the ripples by electron beam evaporation, followed by anisotropic wet etching of the silicon. The simple fabrication method results in large scale hierarchical structure on a silicon wafer. The fabricated Si structure has multiple layers with uniform thickness of hundreds nanometers. We conducted both light reflection and heat transfer experiments on this structure. They exhibited excellent antireflection performance for polarized ultraviolet, visible and near infrared wavelengths. And the heat flux of the structure was significantly enhanced. As such, we believe that these bio-inspired hierarchical silicon structure will have promising applications in photovoltaics, sensor technology and photonic crystal devices.

Diffusion tractography and graph theory analysis reveal the disrupted rich-club organization of white matter structural networks in early Tourette Syndrome children

NASA Astrophysics Data System (ADS)

Wen, Hongwei; Liu, Yue; Wang, Shengpei; Zhang, Jishui; Peng, Yun; He, Huiguang

2017-03-01

Tourette syndrome (TS) is a childhood-onset neurobehavioral disorder. At present, the topological disruptions of the whole brain white matter (WM) structural networks remain poorly understood in TS children. Considering the unique position of the topologically central role of densely interconnected brain hubs, namely the rich club regions, therefore, we aimed to investigate whether the rich club regions and their related connections would be particularly vulnerable in early TS children. In our study, we used diffusion tractography and graph theoretical analyses to explore the rich club structures in 44 TS children and 48 healthy children. The structural networks of TS children exhibited significantly increased normalized rich club coefficient, suggesting that TS is characterized by increased structural integrity of this centrally embedded rich club backbone, potentially resulting in increased global communication capacity. In addition, TS children showed a reorganization of rich club regions, as well as significantly increased density and decreased number in feeder connections. Furthermore, the increased rich club coefficients and feeder connections density of TS children were significantly positively correlated to tic severity, indicating that TS may be characterized by a selective alteration of the structural connectivity of the rich club regions, tending to have higher bridging with non-rich club regions, which may increase the integration among tic-related brain circuits with more excitability but less inhibition for information exchanges between highly centered brain regions and peripheral areas. In all, our results suggest the disrupted rich club organization in early TS children and provide structural insights into the brain networks.

77 FR 60506 - Culturally Significant Objects Imported for Exhibition Determinations: “Light and Shadows: The...

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2012-10-03

... DEPARTMENT OF STATE [Public Notice 8051] Culturally Significant Objects Imported for Exhibition Determinations: ``Light and Shadows: The Story of Iranian Jews'' SUMMARY: Notice is hereby given of the following... exhibition ``Light and Shadows: The Story of Iranian Jews,'' imported from abroad for temporary exhibition...

75 FR 38589 - Culturally Significant Objects Imported for Exhibition Determinations: “Salvador Dali: The Late...

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2010-07-02

... DEPARTMENT OF STATE [Public Notice: 7073] Culturally Significant Objects Imported for Exhibition Determinations: ``Salvador Dali: The Late Work'' SUMMARY: Notice is hereby given of the following determinations... exhibition ``Salvador Dali: The Late Work,'' imported from abroad for temporary exhibition within the United...

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2011-09-13

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77 FR 2603 - Culturally Significant Objects Imported for Exhibition Determinations: “Princes and Painters in...

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2012-01-18

... DEPARTMENT OF STATE [Public Notice 7769] Culturally Significant Objects Imported for Exhibition Determinations: ``Princes and Painters in Mughal Delhi, 1707-1857'' SUMMARY: Notice is hereby given of the... exhibition ``Princes and Painters in Mughal Delhi, 1707-1857,'' imported from abroad for temporary exhibition...

77 FR 61468 - Culturally Significant Objects Imported for Exhibition Determinations: “Matisse: In Search of...

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2012-10-09

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2011-09-27

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77 FR 56251 - Culturally Significant Objects Imported for Exhibition Determinations: “The Body Beautiful in...

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2012-09-12

... DEPARTMENT OF STATE [PUBLIC NOTICE 8020] Culturally Significant Objects Imported for Exhibition Determinations: ``The Body Beautiful in Ancient Greece'' SUMMARY: Notice is hereby given of the following... exhibition ``The Body Beautiful in Ancient Greece,'' imported from abroad for temporary exhibition within the...

A molecular dynamics study of the effect of thermal boundary conductance on thermal transport of ideal crystal of n-alkanes with different number of carbon atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rastgarkafshgarkolaei, Rouzbeh; Zeng, Yi; Khodadadi, J. M., E-mail: khodajm@auburn.edu

2016-05-28

Phase change materials such as n-alkanes that exhibit desirable characteristics such as high latent heat, chemical stability, and negligible supercooling are widely used in thermal energy storage applications. However, n-alkanes have the drawback of low thermal conductivity values. The low thermal conductivity of n-alkanes is linked to formation of randomly oriented nano-domains of molecules in their solid structure that is responsible for excessive phonon scattering at the grain boundaries. Thus, understanding the thermal boundary conductance at the grain boundaries can be crucial for improving the effectiveness of thermal storage systems. The concept of the ideal crystal is proposed in thismore » paper, which describes a simplified model such that all the nano-domains of long-chain n-alkanes are artificially aligned perfectly in one direction. In order to study thermal transport of the ideal crystal of long-chain n-alkanes, four (4) systems (C{sub 20}H{sub 42}, C{sub 24}H{sub 50}, C{sub 26}H{sub 54}, and C{sub 30}H{sub 62}) are investigated by the molecular dynamics simulations. Thermal boundary conductance between the layers of ideal crystals is determined using both non-equilibrium molecular dynamics (NEMD) and equilibrium molecular dynamics (EMD) simulations. Both NEMD and EMD simulations exhibit no significant change in thermal conductance with the molecular length. However, the values obtained from the EMD simulations are less than the values from NEMD simulations with the ratio being nearly three (3) in most cases. This difference is due to the nature of EMD simulations where all the phonons are assumed to be in equilibrium at the interface. Thermal conductivity of the n-alkanes in three structures including liquid, solid, and ideal crystal is investigated utilizing NEMD simulations. Our results exhibit a very slight rise in thermal conductivity values as the number of carbon atoms of the chain increases. The key understanding is that thermal transport can be significantly altered by how the molecules and the nano-domains are oriented in the structure rather than by the length of the n-alkane molecules.« less

Ru-assisted synthesis of Pd/Ru nanodendrites with high activity for ethanol electrooxidation

NASA Astrophysics Data System (ADS)

Zhang, Ke; Bin, Duan; Yang, Beibei; Wang, Caiqin; Ren, Fangfang; Du, Yukou

2015-07-01

Due to the specific physical and chemical properties of a highly branched noble metal, the controllable synthesis has attracted much attention. This article reports the synthesis of Pd/Ru nanodendrites by a facile method using an oil bath in the presence of polyvinyl pyrrolidone, potassium bromide and ascorbic acid. The morphology, structure, and composition of the as-prepared catalysts were characterized by means of X-ray diffraction, X-ray photoelectron spectroscopy and transmission electron microscopy. In the electrochemical measurement, the as-prepared Pd7/Ru1 bimetallic nanodendrites provide a large electrochemically active surface area and exhibit high peak current density in the forward scan toward ethanol electrooxidation, which is nearly four times higher than those of a pure Pd catalyst. The as-prepared Pd7/Ru1 catalysts also exhibit significantly enhanced cycling stability toward ethanol oxidation in alkaline medium, which are mainly ascribed to the synergetic effect between Pd and Ru. This indicates that the Pd7/Ru1 catalysts should have great potential applications in direct ethanol fuel cells.Due to the specific physical and chemical properties of a highly branched noble metal, the controllable synthesis has attracted much attention. This article reports the synthesis of Pd/Ru nanodendrites by a facile method using an oil bath in the presence of polyvinyl pyrrolidone, potassium bromide and ascorbic acid. The morphology, structure, and composition of the as-prepared catalysts were characterized by means of X-ray diffraction, X-ray photoelectron spectroscopy and transmission electron microscopy. In the electrochemical measurement, the as-prepared Pd7/Ru1 bimetallic nanodendrites provide a large electrochemically active surface area and exhibit high peak current density in the forward scan toward ethanol electrooxidation, which is nearly four times higher than those of a pure Pd catalyst. The as-prepared Pd7/Ru1 catalysts also exhibit significantly enhanced cycling stability toward ethanol oxidation in alkaline medium, which are mainly ascribed to the synergetic effect between Pd and Ru. This indicates that the Pd7/Ru1 catalysts should have great potential applications in direct ethanol fuel cells. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02713f

Structure Controlled Long-Range Sequential Tunneling in Carbon-Based Molecular Junctions.

PubMed

Morteza Najarian, Amin; McCreery, Richard L

2017-04-25

Carbon-based molecular junctions consisting of aromatic oligomers between conducting sp 2 hybridized carbon electrodes exhibit structure-dependent current densities (J) when the molecular layer thickness (d) exceeds ∼5 nm. All four of the molecular structures examined exhibit an unusual, nonlinear ln J vs bias voltage (V) dependence which is not expected for conventional coherent tunneling or activated hopping mechanisms. All molecules exhibit a weak temperature dependence, with J increasing typically by a factor of 2 over the range of 200-440 K. Fluorene and anthraquinone show linear plots of ln J vs d with nearly identical J values for the range d = 3-10 nm, despite significant differences in their free-molecule orbital energy levels. The observed current densities for anthraquinone, fluorene, nitroazobenzene, and bis-thienyl benzene for d = 7-10 nm show no correlation with occupied (HOMO) or unoccupied (LUMO) molecular orbital energies, contrary to expectations for transport mechanisms based on the offset between orbital energies and the electrode Fermi level. UV-vis absorption spectroscopy of molecular layers bonded to carbon electrodes revealed internal energy levels of the chemisorbed films and also indicated limited delocalization in the film interior. The observed current densities correlate well with the observed UV-vis absorption maxima for the molecular layers, implying a transport mechanism determined by the HOMO-LUMO energy gap. We conclude that transport in carbon-based aromatic molecular junctions is consistent with multistep tunneling through a barrier defined by the HOMO-LUMO gap, and not by charge transport at the electrode interfaces. In effect, interfacial "injection" at the molecule/electrode interfaces is not rate limiting due to relatively strong electronic coupling, and transport is controlled by the "bulk" properties of the molecular layer interior.

Synthesis and Performance of Highly Stable Star-Shaped Polyaniline Electrochromic Materials with Triphenylamine Core

NASA Astrophysics Data System (ADS)

Xiong, Shanxin; Li, Shuaishuai; Zhang, Xiangkai; Wang, Ru; Zhang, Runlan; Wang, Xiaoqin; Wu, Bohua; Gong, Ming; Chu, Jia

2018-02-01

The molecular architecture of conducting polymers has a significant impact on their conjugated structure and electrochemical properties. We have investigated the influence of star-shaped structure on the electrochemical and electrochromic properties of polyaniline (PANI). Star-shaped PANI (SPANI) was prepared by copolymerization of aniline with triphenylamine (TPA) using an emulsion polymerization method. With addition of less than 4.0 mol.% TPA, the resulting SPANI exhibited good solubility in xylene with dodecylbenzenesulfonic acid (DBSA) as doping acid. The structure and thermal stability of the SPANI were characterized using Fourier-transform infrared spectroscopy, Raman spectroscopy, and thermogravimetric analysis, and the electrochemical behavior was analyzed by cyclic voltammetry (CV). The electrochromic properties of SPANI were tested using an electrochemical workstation combined with an ultraviolet-visible (UV-Vis) spectrometer. The results show that, with increasing TPA loading, the thermal stability of SPANI increased. With addition of 4.0 mol.% TPA, the weight loss of SPANI was 36.9% at 700°C, much lower than the value of 71.2% for PANI at the same temperature. The low oxidation potential and large enclosed area of the CV curves indicate that SPANI possesses higher electrochemical activity than PANI. Enhanced electrochromic properties including higher optical contrast and better electrochromic stability of SPANI were also obtained. SPANI with 1.6 mol.% TPA loading exhibited the highest optical contrast of 0.71, higher than the values of 0.58 for PANI, 0.66 for SPANI-0.4%, or 0.63 for SPANI-4.0%. Overdosing of TPA resulted in slow switching speed due to slow ion transport in short branched chains of star-shaped PANI electrochromic material. Long-term stability testing confirmed that all the SPANI-based devices exhibited better stability than the PANI-based device.

Structure-Specificity Relationships of an Intracellular Xylanase from Geobacillus stearothermophilus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solomon,V.; Teplitsky, A.; Shulami, S.

2007-01-01

Geobacillus stearothermophilus T-6 is a thermophilic Gram-positive bacterium that produces two selective family 10 xylanases which both take part in the complete degradation and utilization of the xylan polymer. The two xylanases exhibit significantly different substrate specificities. While the extracellular xylanase (XT6; MW 43.8 kDa) hydrolyzes the long and branched native xylan polymer, the intracellular xylanase (IXT6; MW 38.6 kDa) preferentially hydrolyzes only short xylo-oligosaccharides. In this study, the detailed three-dimensional structure of IXT6 is reported, as determined by X-ray crystallography. It was initially solved by molecular replacement and then refined at 1.45 {angstrom} resolution to a final R factormore » of 15.0% and an R{sub free} of 19.0%. As expected, the structure forms the classical ({alpha}/{beta}){sub 8} fold, in which the two catalytic residues (Glu134 and Glu241) are located on the inner surface of the central cavity. The structure of IXT6 was compared with the highly homologous extracellular xylanase XT6, revealing a number of structural differences between the active sites of the two enzymes. In particular, structural differences derived from the unique subdomain in the carboxy-terminal region of XT6, which is completely absent in IXT6. These structural modifications may account for the significant differences in the substrate specificities of these otherwise very similar enzymes.« less

Electronic structure and its external electric field modulation of PbPdO2 ultrathin slabs with (002) and (211) preferred orientations.

PubMed

Yang, Yanmin; Zhong, Kehua; Xu, Guigui; Zhang, Jian-Min; Huang, Zhigao

2017-07-31

The Electronic structure of PbPdO 2 with (002) and (211) preferred orientations were investigated using first-principles calculation. The calculated results indicate that, (002) and (211) orientations exhibit different electric field dependence of band-gap and carrier concentration. The small band gap and more sensitive electric field modulation of band gap were found in (002) orientation. Moreover, the electric field modulation of the resistivity up to 3-4 orders of magnitude is also observed in (002) slab, which reveals that origin of colossal electroresistance. Lastly, electric field modulation of band gap is well explained. This work should be significant for repeating the colossal electroresistance.

Composition-dependent photoluminescence and electronic structure of 2-dimensional borocarbonitrides, BC X N (x = 1, 5)

NASA Astrophysics Data System (ADS)

Moses, Kota; Shirodkar, Sharmila N.; Waghmare, U. V.; Rao, C. N. R.

2014-04-01

Layered borocarbonitrides BCN and BC5N with a wide difference in composition have been prepared by the urea route. These 2D materials show a significant difference in the photoluminescence spectra, with BCN and BC5N showing maxima at 340 and 410 nm (3.61 and 3.0 eV), besides exhibiting different electrical resistivities. First-principles calculations show that BCN and BC5N are associated with different band gaps, the gap of the carbon-rich composition being lower. The change in the electronic structure and properties is related to the composition of BC X N i.e. the ordering of the graphene and BN domains.

A tocotrienol series with an oxidative terminal prenyl unit from Garcinia amplexicaulis.

PubMed

Lavaud, Alexis; Richomme, Pascal; Gatto, Julia; Aumond, Marie-Christine; Poullain, Cyril; Litaudon, Marc; Andriantsitohaina, Ramaroson; Guilet, David

2015-01-01

Ten tocotrienol derivatives, i.e., amplexichromanols (1-10), were isolated from stem bark of Garcinia amplexicaulis Vieill. ex Pierre collected in Caledonia. The structures of the compounds 1-5 were determined to be chromanol derivatives substituted by a polyprenyl chain oxidized in terminal position. The remaining compounds 6-10 are the corresponding dimeric derivatives. Eleven known compounds, including xanthones, tocotrienol derivatives, triterpenes and phenolic compounds, were also isolated. Their structures were mainly determined using one and two-dimensional NMR and mass spectroscopy analysis. The compounds and some amplexichromanol molecules formerly isolated from G. amplexicaulis exhibited significant antioxidant activity against lipid peroxidation and in the ORAC assay. Copyright © 2014 Elsevier Ltd. All rights reserved.

The impact of hospital market structure on patient volume, average length of stay, and the cost of care.

PubMed

Robinson, J C; Luft, H S

1985-12-01

A variety of recent proposals rely heavily on market forces as a means of controlling hospital cost inflation. Sceptics argue, however, that increased competition might lead to cost-increasing acquisitions of specialized clinical services and other forms of non-price competition as means of attracting physicians and patients. Using data from hospitals in 1972 we analyzed the impact of market structure on average hospital costs, measured in terms of both cost per patient and cost per patient day. Under the retrospective reimbursement system in place at the time, hospitals in more competitive environments exhibited significantly higher costs of production than did those in less competitive environments.

Anatomic changes due to interspecific grafting in cassava (Manihot esculenta).

PubMed

Bomfim, N; Ribeiro, D G; Nassar, N M A

2011-05-31

Cassava rootstocks of varieties UnB 201 and UnB 122 grafted with scions of Manihot fortalezensis were prepared for anatomic study. The roots were cut, stained with safranin and alcian blue, and examined microscopically, comparing them with sections taken from ungrafted roots. There was a significant decrease in number of pericyclic fibers, vascular vessels and tyloses in rootstocks. They exhibited significant larger vessels. These changes in anatomic structure are a consequence of genetic effects caused by transference of genetic material from scion to rootstock. The same ungrafted species was compared. This is the first report on anatomic changes due to grafting in cassava.

The NASA Education Forum at SAO on the Structure and Evolution of the Universe

NASA Technical Reports Server (NTRS)

Gould, Roy; Rosendhal, Jeffrey (Technical Monitor)

2001-01-01

During the past year the SEU Forum has made significant progress on a number of fronts: (1) the Forum has brought several large education projects close to completion; (2) we have greatly expanded our relationship with the SEU missions and programs; and (3) we have started a significant program to better involve space scientists in education and outreach activities. Among our accomplishments for the past year: (1) completed planning and design for Cosmic Questions, a national traveling exhibition on SEU themes; (2) launched the informal Science Education Resource Directory; (3) Coordinating with the SEU and Origins missions; and (4) promoted scientist-educator partnerships.

Immature morphological properties in subcellular-scale structures in the dentate gyrus of Schnurri-2 knockout mice: a model for schizophrenia and intellectual disability.

PubMed

Nakao, Akito; Miyazaki, Naoyuki; Ohira, Koji; Hagihara, Hideo; Takagi, Tsuyoshi; Usuda, Nobuteru; Ishii, Shunsuke; Murata, Kazuyoshi; Miyakawa, Tsuyoshi

2017-12-12

Accumulating evidence suggests that subcellular-scale structures such as dendritic spine and mitochondria may be involved in the pathogenesis/pathophysiology of schizophrenia and intellectual disability. Previously, we proposed mice lacking Schnurri-2 (Shn2; also called major histocompatibility complex [MHC]-binding protein 2 [MBP-2], or human immunodeficiency virus type I enhancer binding protein 2 [HIVEP2]) as a schizophrenia and intellectual disability model with mild chronic inflammation. In the mutants' brains, there are increases in C4b and C1q genes, which are considered to mediate synapse elimination during postnatal development. However, morphological properties of subcellular-scale structures such as dendritic spine in Shn2 knockout (KO) mice remain unknown. In this study, we conducted three-dimensional morphological analyses in subcellular-scale structures in dentate gyrus granule cells of Shn2 KO mice by serial block-face scanning electron microscopy. Shn2 KO mice showed immature dendritic spine morphology characterized by increases in spine length and decreases in spine diameter. There was a non-significant tendency toward decrease in spine density of Shn2 KO mice over wild-type mice, and spine volume was indistinguishable between genotypes. Shn2 KO mice exhibited a significant reduction in GluR1 expression and a nominally significant decrease in SV2 expression, while PSD95 expression had a non-significant tendency to decrease in Shn2 KO mice. There were significant decreases in dendrite diameter, nuclear volume, and the number of constricted mitochondria in the mutants. Additionally, neuronal density was elevated in Shn2 KO mice. These results suggest that Shn2 KO mice serve as a unique tool for investigating morphological abnormalities of subcellular-scale structures in schizophrenia, intellectual disability, and its related disorders.

Raman characterization of Avocado Sunblotch viroid and its response to external perturbations and self-cleavage

PubMed Central

2014-01-01

Background Viroids are the smallest pathogens of plants. To date the structural and conformational details of the cleavage of Avocado sunblotch viroid (ASBVd) and the catalytic role of Mg2+ ions in efficient self-cleavage are of crucial interest. Results We report the first Raman characterization of the structure and activity of ASBVd, for plus and minus viroid strands. Both strands exhibit a typical A-type RNA conformation with an ordered double-helical content and a C3′-endo/anti sugar pucker configuration, although small but specific differences are found in the sugar puckering and base-stacking regions. The ASBVd(-) is shown to self-cleave 3.5 times more actively than ASBVd(+). Deuteration and temperature increase perturb differently the double-helical content and the phosphodiester conformation, as revealed by corresponding characteristic Raman spectral changes. Our data suggest that the structure rigidity and stability are higher and the D2O accessibility to H-bonding network is lower for ASBVd(+) than for ASBVd(-). Remarkably, the Mg2+-activated self-cleavage of the viroid does not induce any significant alterations of the secondary viroid structure, as evidenced from the absence of intensity changes of Raman marker bands that, however exhibit small but noticeable frequency downshifts suggesting several minor changes in phosphodioxy, internal loops and hairpins of the cleaved viroids. Conclusions Our results demonstrate the sensitivity of Raman spectroscopy in monitoring structural and conformational changes of the viroid and constitute the basis for further studies of its interactions with therapeutic agents and cell membranes. PMID:24655924

Inter-ribbon tunneling in graphene: An atomistic Bardeen approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van de Put, Maarten L., E-mail: maarten.vandeput@uantwerpen.be; Magnus, Wim; imec, B-3001 Heverlee

A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamiltonian formalism, using atomistic band structure calculations to account for the effect of the atomic structure on the tunneling process. The strong quantum-size confinement of the nanoribbons is mirrored by the one-dimensional character of the electronic structure, resulting in properties that differ significantly from the case of inter-layer tunneling, where tunneling occurs between bulk two-dimensional graphene sheets. The current-voltage characteristics of the inter-ribbon tunneling structures exhibit resonance, as well as stepwise increases inmore » current. Both features are caused by the energetic alignment of one-dimensional peaks in the density-of-states of the ribbons. Resonant tunneling occurs if the sign of the curvature of the coupled energy bands is equal, whereas a step-like increase in the current occurs if the signs are opposite. Changing the doping modulates the onset-voltage of the effects as well as their magnitude. Doping through electrostatic gating makes these structures promising for application towards steep slope switching devices. Using the atomistic empirical pseudopotentials based Bardeen transfer Hamiltonian method, inter-ribbon tunneling can be studied for the whole range of two-dimensional materials, such as transition metal dichalcogenides. The effects of resonance and of step-like increases in the current we observe in graphene ribbons are also expected in ribbons made from these alternative two-dimensional materials, because these effects are manifestations of the one-dimensional character of the density-of-states.« less

Counteracting chemical chaperone effects on the single-molecule α-synuclein structural landscape.

PubMed

Ferreon, Allan Chris M; Moosa, Mahdi Muhammad; Gambin, Yann; Deniz, Ashok A

2012-10-30

Protein structure and function depend on a close interplay between intrinsic folding energy landscapes and the chemistry of the protein environment. Osmolytes are small-molecule compounds that can act as chemical chaperones by altering the environment in a cellular context. Despite their importance, detailed studies on the role of these chemical chaperones in modulating structure and dimensions of intrinsically disordered proteins have been limited. Here, we used single-molecule Förster resonance energy transfer to test the counteraction hypothesis of counterbalancing effects between the protecting osmolyte trimethylamine-N-oxide (TMAO) and denaturing osmolyte urea for the case of α-synuclein, a Parkinson's disease-linked protein whose monomer exhibits significant disorder. The single-molecule experiments, which avoid complications from protein aggregation, do not exhibit clear solvent-induced cooperative protein transitions for these osmolytes, unlike results from previous studies on globular proteins. Our data demonstrate the ability of TMAO and urea to shift α-synuclein structures towards either more compact or expanded average dimensions. Strikingly, the experiments directly reveal that a 21 [urea][TMAO] ratio has a net neutral effect on the protein's dimensions, a result that holds regardless of the absolute osmolyte concentrations. Our findings shed light on a surprisingly simple aspect of the interplay between urea and TMAO on α-synuclein in the context of intrinsically disordered proteins, with potential implications for the biological roles of such chemical chaperones. The results also highlight the strengths of single-molecule experiments in directly probing the chemical physics of protein structure and disorder in more chemically complex environments.

Structural and emission characteristics of ion-irradiated Reticulated Vitreous Carbon

NASA Astrophysics Data System (ADS)

Chacon, Judith Rebecca

Cathodes formed from Reticulated Vitreous Carbon (RVC) were treated under varying conditions of Argon-ion beam current, beam voltage and irradiation duration. Surface structures, such as balls, cones, nanowires, and nanowhiskers were formed in the RVC network through a series of ion-impact sputtering and self-diffusion reactions. Raman shifts to the D and E2g' peak suggest C=C bonding within the original RVC structure was converted to the lesser-bound C-C bonding structure. Cathodes demonstrating the most stable electronic configuration exhibited significant vertical growth to graphitic domains as determined by calculations based on XRD measurements. Carbon nanotubes at the surface were observed at the surface through micro-Raman techniques. The surface structures formed by argon-bombardment, are responsible for cathodes exhibiting lower field-emission extraction fields. The electric field required for the onset of electron emission was measured to change from 6.03 V/micron in non-irradiated RVC to 1.62V/micron for RVC irradiated for 15 minutes at a beam voltage of 1200V and beam current of 200mA (ion-beam current density 2.24mA/cm2). Treated surfaces were also responsible for increased stability in emission over time. For untreated RVC, the field required for emission dropped 25% over a 48 hour training period, whilst modestly treated RVC (15min, 1200V, 100mA, or 1.52mA/cm2) rose as little as 3%. Field-emissive RVC, is an inexpensively produced, mechanically robust cathode with potential applications in lighting, displays and microwave sources.

Counteracting chemical chaperone effects on the single-molecule α-synuclein structural landscape

PubMed Central

Ferreon, Allan Chris M.; Moosa, Mahdi Muhammad; Deniz, Ashok A.

2012-01-01

Protein structure and function depend on a close interplay between intrinsic folding energy landscapes and the chemistry of the protein environment. Osmolytes are small-molecule compounds that can act as chemical chaperones by altering the environment in a cellular context. Despite their importance, detailed studies on the role of these chemical chaperones in modulating structure and dimensions of intrinsically disordered proteins have been limited. Here, we used single-molecule Förster resonance energy transfer to test the counteraction hypothesis of counterbalancing effects between the protecting osmolyte trimethylamine-N-oxide (TMAO) and denaturing osmolyte urea for the case of α-synuclein, a Parkinson’s disease-linked protein whose monomer exhibits significant disorder. The single-molecule experiments, which avoid complications from protein aggregation, do not exhibit clear solvent-induced cooperative protein transitions for these osmolytes, unlike results from previous studies on globular proteins. Our data demonstrate the ability of TMAO and urea to shift α-synuclein structures towards either more compact or expanded average dimensions. Strikingly, the experiments directly reveal that a 2∶1 [urea]∶[TMAO] ratio has a net neutral effect on the protein’s dimensions, a result that holds regardless of the absolute osmolyte concentrations. Our findings shed light on a surprisingly simple aspect of the interplay between urea and TMAO on α-synuclein in the context of intrinsically disordered proteins, with potential implications for the biological roles of such chemical chaperones. The results also highlight the strengths of single-molecule experiments in directly probing the chemical physics of protein structure and disorder in more chemically complex environments. PMID:22826265

Novel Podophyllotoxin Derivatives as Partial PPARγ Agonists and their Effects on Insulin Resistance and Type 2 Diabetes.

PubMed

Zhang, Xiangming; Liu, Huijuan; Sun, Bo; Sun, Yan; Zhong, Weilong; Liu, Yanrong; Chen, Shuang; Ling, Honglei; Zhou, Lei; Jing, Xiangyan; Qin, Yuan; Xiao, Ting; Sun, Tao; Zhou, Honggang; Yang, Cheng

2016-11-17

Peroxisome proliferator-activated receptor γ (PPARγ) is recognized as a key regulator of insulin resistance. In this study, we searched for novel PPARγ agonists in a library of structurally diverse organic compounds and determined that podophyllotoxin exhibits partial agonist activity toward PPARγ. Eight novel podophyllotoxin-like derivatives were synthesized and assayed for toxicity and functional activity toward PPARγ to reduce the possible systemic toxic effects of podophyllotoxin and to maintain partial agonist activity toward PPARγ. Cell-based transactivation assays showed that compounds (E)-3-(hydroxy(3,4,5-trimethoxyphenyl)methyl)-4-(4(trifluoromethyl)styryl)dihydrofuran-2(3H)-one (3a) and (E)-4-(3-acetylstyryl)-3-(hydroxyl (3,4,5-trimethoxyphenyl)methyl)dihydrofuran-2(3H)-one (3f) exhibited partial agonist activity. An experiment using human hepatocarcinoma cells (HepG2) that were induced to become an insulin-resistant model showed that compounds 3a and 3f improved insulin sensitivity and glucose consumption. In addition, compounds 3a and 3f significantly improved hyperglycemia and insulin resistance in high-fat diet-fed streptozotocin (HFD-STZ)-induced type 2 diabetic rats at a dose of 15 mg/kg/day administered orally for 45 days, without significant weight gain. Cell toxicity testing also showed that compounds 3a and 3f exhibited weaker toxicity than pioglitazone. These findings suggested that compounds 3a and 3f improved insulin resistance in vivo and in vitro and that the compounds exhibited potential for the treatment of type 2 diabetes mellitus.

Making connections: Listening to visitor conversations at different styles of sea jelly exhibits

NASA Astrophysics Data System (ADS)

Galvan, Tamara M.

This study sought to determine what types of connections to prior experiences and knowledge were being made at two different styles of exhibits focusing on sea jellies. Family groups, consisting of one or two adults with one or two children aged 6-11, were audio recorded and tracked as they visited a view-only or touch pool sea jelly exhibit. A short interview was given after their visit to the sea jelly exhibit. The discourse from the exhibit and survey were coded for types of learning talk. Coding was also done to determine the inspiration for the connection and the subject of the connection (structural or behavioral). Visitors made connections regardless of the seajelly.exhibit design and results showed no differences in the type or frequency of the connections made. However, visitors were more likely to make connections on the subject of the sea jelly structure at the view only exhibit. Many of the connections, regardless of subject or inspiration, were metaphoric connections, demonstrating the importance of metaphors for making prior experience connections. Findings provide useful information for future aquarium practice.

Mining protein loops using a structural alphabet and statistical exceptionality

PubMed Central

2010-01-01

Background Protein loops encompass 50% of protein residues in available three-dimensional structures. These regions are often involved in protein functions, e.g. binding site, catalytic pocket... However, the description of protein loops with conventional tools is an uneasy task. Regular secondary structures, helices and strands, have been widely studied whereas loops, because they are highly variable in terms of sequence and structure, are difficult to analyze. Due to data sparsity, long loops have rarely been systematically studied. Results We developed a simple and accurate method that allows the description and analysis of the structures of short and long loops using structural motifs without restriction on loop length. This method is based on the structural alphabet HMM-SA. HMM-SA allows the simplification of a three-dimensional protein structure into a one-dimensional string of states, where each state is a four-residue prototype fragment, called structural letter. The difficult task of the structural grouping of huge data sets is thus easily accomplished by handling structural letter strings as in conventional protein sequence analysis. We systematically extracted all seven-residue fragments in a bank of 93000 protein loops and grouped them according to the structural-letter sequence, named structural word. This approach permits a systematic analysis of loops of all sizes since we consider the structural motifs of seven residues rather than complete loops. We focused the analysis on highly recurrent words of loops (observed more than 30 times). Our study reveals that 73% of loop-lengths are covered by only 3310 highly recurrent structural words out of 28274 observed words). These structural words have low structural variability (mean RMSd of 0.85 Å). As expected, half of these motifs display a flanking-region preference but interestingly, two thirds are shared by short (less than 12 residues) and long loops. Moreover, half of recurrent motifs exhibit a significant level of amino-acid conservation with at least four significant positions and 87% of long loops contain at least one such word. We complement our analysis with the detection of statistically over-represented patterns of structural letters as in conventional DNA sequence analysis. About 30% (930) of structural words are over-represented, and cover about 40% of loop lengths. Interestingly, these words exhibit lower structural variability and higher sequential specificity, suggesting structural or functional constraints. Conclusions We developed a method to systematically decompose and study protein loops using recurrent structural motifs. This method is based on the structural alphabet HMM-SA and not on structural alignment and geometrical parameters. We extracted meaningful structural motifs that are found in both short and long loops. To our knowledge, it is the first time that pattern mining helps to increase the signal-to-noise ratio in protein loops. This finding helps to better describe protein loops and might permit to decrease the complexity of long-loop analysis. Detailed results are available at http://www.mti.univ-paris-diderot.fr/publication/supplementary/2009/ACCLoop/. PMID:20132552

Mining protein loops using a structural alphabet and statistical exceptionality.

PubMed

Regad, Leslie; Martin, Juliette; Nuel, Gregory; Camproux, Anne-Claude

2010-02-04

Protein loops encompass 50% of protein residues in available three-dimensional structures. These regions are often involved in protein functions, e.g. binding site, catalytic pocket... However, the description of protein loops with conventional tools is an uneasy task. Regular secondary structures, helices and strands, have been widely studied whereas loops, because they are highly variable in terms of sequence and structure, are difficult to analyze. Due to data sparsity, long loops have rarely been systematically studied. We developed a simple and accurate method that allows the description and analysis of the structures of short and long loops using structural motifs without restriction on loop length. This method is based on the structural alphabet HMM-SA. HMM-SA allows the simplification of a three-dimensional protein structure into a one-dimensional string of states, where each state is a four-residue prototype fragment, called structural letter. The difficult task of the structural grouping of huge data sets is thus easily accomplished by handling structural letter strings as in conventional protein sequence analysis. We systematically extracted all seven-residue fragments in a bank of 93000 protein loops and grouped them according to the structural-letter sequence, named structural word. This approach permits a systematic analysis of loops of all sizes since we consider the structural motifs of seven residues rather than complete loops. We focused the analysis on highly recurrent words of loops (observed more than 30 times). Our study reveals that 73% of loop-lengths are covered by only 3310 highly recurrent structural words out of 28274 observed words). These structural words have low structural variability (mean RMSd of 0.85 A). As expected, half of these motifs display a flanking-region preference but interestingly, two thirds are shared by short (less than 12 residues) and long loops. Moreover, half of recurrent motifs exhibit a significant level of amino-acid conservation with at least four significant positions and 87% of long loops contain at least one such word. We complement our analysis with the detection of statistically over-represented patterns of structural letters as in conventional DNA sequence analysis. About 30% (930) of structural words are over-represented, and cover about 40% of loop lengths. Interestingly, these words exhibit lower structural variability and higher sequential specificity, suggesting structural or functional constraints. We developed a method to systematically decompose and study protein loops using recurrent structural motifs. This method is based on the structural alphabet HMM-SA and not on structural alignment and geometrical parameters. We extracted meaningful structural motifs that are found in both short and long loops. To our knowledge, it is the first time that pattern mining helps to increase the signal-to-noise ratio in protein loops. This finding helps to better describe protein loops and might permit to decrease the complexity of long-loop analysis. Detailed results are available at http://www.mti.univ-paris-diderot.fr/publication/supplementary/2009/ACCLoop/.

Molecular epidemiology, phylogeny and evolution of Candida albicans.

PubMed

McManus, Brenda A; Coleman, David C

2014-01-01

A small number of Candida species form part of the normal microbial flora of mucosal surfaces in humans and may give rise to opportunistic infections when host defences are impaired. Candida albicans is by far the most prevalent commensal and pathogenic Candida species. Several different molecular typing approaches including multilocus sequence typing, multilocus microsatellite typing and DNA fingerprinting using C. albicans-specific repetitive sequence-containing DNA probes have yielded a wealth of information regarding the epidemiology and population structure of this species. Such studies revealed that the C. albicans population structure consists of multiple major and minor clades, some of which exhibit geographical or phenotypic enrichment and that C. albicans reproduction is predominantly clonal. Despite this, losses of heterozygosity by recombination, the existence of a parasexual cycle, toleration of a wide range of aneuploidies and the recent description of viable haploid strains have all demonstrated the extensive plasticity of the C. albicans genome. Recombination and gross chromosomal rearrangements are more common under stressful environmental conditions, and have played a significant role in the evolution of this opportunistic pathogen. Surprisingly, Candida dubliniensis, the closest relative of C. albicans exhibits more karyotype variability than C. albicans, but is significantly less adaptable to unfavourable environments. This disparity most likely reflects the evolutionary processes that occurred during or soon after the divergence of both species from their common ancestor. Whilst C. dubliniensis underwent significant gene loss and pseudogenisation, C. albicans expanded gene families considered to be important in virulence. It is likely that technological developments in whole genome sequencing and data analysis in coming years will facilitate its routine use for population structure, epidemiological investigations, and phylogenetic analyses of Candida species. These are likely to reveal more minor C. albicans clades and to enhance our understanding of the population biology of this versatile organism. Copyright © 2013 The Authors. Published by Elsevier B.V. All rights reserved.

Structural abnormalities and altered regional brain activity in multiple sclerosis with simple spinal cord involvement.

PubMed

Yin, Ping; Liu, Yi; Xiong, Hua; Han, Yongliang; Sah, Shambhu Kumar; Zeng, Chun; Wang, Jingjie; Li, Yongmei

2018-02-01

To assess the changes of the structural and functional abnormalities in multiple sclerosis with simple spinal cord involvement (MS-SSCI) by using resting-state functional MRI (RS-fMRI), voxel based morphology (VBM) and diffusion tensor tractography. The amplitude of low-frequency fluctuation (ALFF) of 22 patients with MS-SSCI and 22 healthy controls (HCs) matched for age, gender and education were compared by using RS-fMRI. We also compared the volume, fractional anisotropy (FA) and apparent diffusion coefficient of the brain regions in baseline brain activity by using VBM and diffusion tensor imaging. The relationships between the expanded disability states scale (EDSS) scores, changed parameters of structure and function were further explored. (1) Compared with HCs, the ALFF of the bilateral hippocampus and right middle temporal gyrus in MS-SSCI decreased significantly. However, patients exhibited increased ALFF in the left middle frontal gyrus, left posterior cingulate gyrus and right middle occipital gyrus ( two-sample t-test, after AlphaSim correction, p < 0.01, voxel size > 40). The volume of right middle frontal gyrus reduced significantly (p < 0.01). The FA and ADC of right hippocampus, the FA of left hippocampus and right middle temporal gyrus were significantly different. (2) A significant correlation between EDSS scores and ALFF was noted only in the left posterior cingulate gyrus. Our results detected structural and functional abnormalities in MS-SSCI and functional parameters were associated with clinical abnormalities. Multimodal imaging plays an important role in detecting structural and functional abnormalities in MS-SSCI. Advances in knowledge: This is the first time to apply RS-fMRI, VBM and diffusion tensor tractography to study the structural and functional abnormalities in MS-SSCI, and to explore its correlation with EDSS score.

Structural and Immunological Analysis of Anthrax Recombinant Protective Antigen Adsorbed to Aluminum Hydroxide Adjuvant

PubMed Central

Wagner, Leslie; Verma, Anita; Meade, Bruce D.; Reiter, Karine; Narum, David L.; Brady, Rebecca A.; Little, Stephen F.

2012-01-01

New anthrax vaccines currently under development are based on recombinant protective antigen (rPA) and formulated with aluminum adjuvant. Because long-term stability is a desired characteristic of these vaccines, an understanding of the effects of adsorption to aluminum adjuvants on the structure of rPA is important. Using both biophysical and immunological techniques, we compared the structure and immunogenicity of freshly prepared rPA-Alhydrogel formulations to that of formulations stored for 3 weeks at either room temperature or 37°C in order to assess the changes in rPA structure that might occur upon long-term storage on aluminum adjuvant. Intrinsic fluorescence emission spectra of tryptophan residues indicated that some tertiary structure alterations of rPA occurred during storage on Alhydrogel. Using anti-PA monoclonal antibodies to probe specific regions of the adsorbed rPA molecule, we found that two monoclonal antibodies that recognize epitopes located in domain 1 of PA exhibited greater reactivity to the stored formulations than to freshly prepared formulations. Immunogenicity of rPA-Alhydrogel formulations in mice was assessed by measuring the induction of toxin-neutralizing antibodies, as well as antibodies reactive to 12-mer peptides spanning the length of PA. Mice immunized with freshly prepared formulations developed significantly higher toxin-neutralizing antibody titers than mice immunized with the stored preparations. In contrast, sera from mice immunized with stored preparations exhibited increased reactivity to nine 12-mer peptides corresponding to sequences located throughout the rPA molecule. These results demonstrate that storage of rPA-Alhydrogel formulations can lead to structural alteration of the protein and loss of the ability to elicit toxin-neutralizing antibodies. PMID:22815152

Tunable two-dimensional acoustic meta-structure composed of funnel-shaped unit cells with multi-band negative acoustic property

NASA Astrophysics Data System (ADS)

Cho, Sungjin; Kim, Boseung; Min, Dongki; Park, Junhong

2015-10-01

This paper presents a two-dimensional heat-exhaust and sound-proof acoustic meta-structure exhibiting tunable multi-band negative effective mass density. The meta-structure was composed of periodic funnel-shaped units in a square lattice. Each unit cell operates simultaneously as a Helmholtz resonator (HR) and an extended pipe chamber resonator (EPCR), leading to a negative effective mass density creating bandgaps for incident sound energy dissipation without transmission. This structure allowed large heat-flow through the cross-sectional area of the extended pipe since the resonance was generated by acoustic elements without using solid membranes. The pipes were horizontally directed to a flow source to enable small flow resistance for cooling. Measurements of the sound transmission were performed using a two-load, four-microphone method for a unit cell and small reverberation chamber for two-dimensional panel to characterize the acoustic performance. The effective mass density showed significant frequency dependent variation exhibiting negative values at the specific bandgaps, while the effective bulk modulus was not affected by the resonator. Theoretical models incorporating local resonances in the multiple resonator units were proposed to analyze the noise reduction mechanism. The acoustic meta-structure parameters to create broader frequency bandgaps were investigated using the theoretical model. The negative effective mass density was calculated to investigate the creation of the bandgaps. The effects of design parameters such as length, cross-sectional area, and volume of the HR; length and cross-sectional area of the EPCR were analyzed. To maximize the frequency band gap, the suggested acoustic meta-structure panel, small neck length, and cross-sectional area of the HR, large EPCR length was advantageous. The bandgaps became broader when the two resonant frequencies were similar.

The Relationship between Cranial Structure, Biomechanical Performance and Ecological Diversity in Varanoid Lizards

PubMed Central

McCurry, Matthew R.; Mahony, Michael; Clausen, Phillip D.; Quayle, Michelle R.; Walmsley, Christopher W.; Jessop, Tim S.; Wroe, Stephen; Richards, Heather; McHenry, Colin R.

2015-01-01

Skull structure is intimately associated with feeding ability in vertebrates, both in terms of specific performance measures and general ecological characteristics. This study quantitatively assessed variation in the shape of the cranium and mandible in varanoid lizards, and its relationship to structural performance (von Mises strain) and interspecific differences in feeding ecology. Geometric morphometric and linear morphometric analyses were used to evaluate morphological differences, and finite element analysis was used to quantify variation in structural performance (strain during simulated biting, shaking and pulling). This data was then integrated with ecological classes compiled from relevant scientific literature on each species in order to establish structure-function relationships. Finite element modelling results showed that variation in cranial morphology resulted in large differences in the magnitudes and locations of strain in biting, shaking and pulling load cases. Gracile species such as Varanus salvadorii displayed high strain levels during shaking, especially in the areas between the orbits. All models exhibit less strain during pull back loading compared to shake loading, even though a larger force was applied (pull =30N, shake = 20N). Relationships were identified between the morphology, performance, and ecology. Species that did not feed on hard prey clustered in the gracile region of cranial morphospace and exhibited significantly higher levels of strain during biting (P = 0.0106). Species that fed on large prey clustered in the elongate area of mandible morphospace. This relationship differs from those that have been identified in other taxonomic groups such as crocodiles and mammals. This difference may be due to a combination of the open ‘space-frame’ structure of the varanoid lizard skull, and the ‘pull back’ behaviour that some species use for processing large prey. PMID:26106889

77 FR 20476 - Culturally Significant Objects Imported for Exhibition Determinations: “Nicolai Fechin”

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-04

...,'' imported from abroad for temporary exhibition within the United States, are of cultural significance. The... that the exhibition or display of the exhibit objects at the Museum of Russian Art, Minneapolis, Minnesota, from on or about August 18, 2012, until on or about January 13, 2013, the Frye Art Museum...

77 FR 51606 - Culturally Significant Objects Imported for Exhibition Determinations: “Extravagant Inventions...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-24

... temporary exhibition within the United States, are of cultural significance. The additional objects are... exhibition or display of the additional exhibit objects at The Metropolitan Museum of Art, New York, NY, from... at The Metropolitan Museum of Art, three of the works will continue to be displayed at The...

77 FR 15839 - Culturally Significant Objects Imported for Exhibition Determinations: “Joan Miró: the Ladder of...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-16

... DEPARTMENT OF STATE [Public Notice 7827] Culturally Significant Objects Imported for Exhibition Determinations: ``Joan Mir[oacute]: the Ladder of Escape'' SUMMARY: Notice is hereby given of the following... exhibition ``Joan Mir[oacute]: the Ladder of Escape,'' imported from abroad for temporary exhibition within...

A Novel Approach to Developing Biomimetic ("Nacre-Like") Metal-Compliant-Phase (Nickel-Alumina) Ceramics through Coextrusion.

PubMed

Wilkerson, Ryan P; Gludovatz, Bernd; Watts, Jeremy; Tomsia, Antoni P; Hilmas, Gregory E; Ritchie, Robert O

2016-12-01

Bioinspired "brick-and-mortar" alumina ceramics containing a nickel compliant phase are synthesized by coextrusion of alumina and nickel oxide. Results show that these structures are coarser yet exhibit exceptional resistance-curve behavior with a fracture toughness three or more times higher than that of alumina, consistent with significant extrinsic toughening, from crack bridging and "brick" pull-out, in the image of natural nacre. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Xanthofulvin, a novel semaphorin inhibitor produced by a strain of Penicillium.

PubMed

Kumagai, Kazuo; Hosotani, Nobuo; Kikuchi, Kaoru; Kimura, Toru; Saji, Ikutaro

2003-07-01

A new semaphorin inhibitor xanthofulvin was isolated from the cultured broth of a fungus Penicillium sp. SPF-3059 along with a known compound vinaxanthone by solvent extraction and bioassay-guided fractionation. The tautomeric structure of xanthofulvin was determined by spectroscopic analyses. The two compounds exhibited significant semaphorin inhibitory activity with IC50 values of 0.09 and 0.1 microg/ml, respectively, in semaphorin3A-induced growth cone collapse assay using cultured chick dorsal root ganglia neurons.

Chemistry, Adhesive and Composite Properties of Low Molecular Weight Phenylethynyl Terminated Oligomers

NASA Technical Reports Server (NTRS)

Connell, John W.

2004-01-01

PETI-5 (1250 and 2500 g/mole) were prepared and characterized. Neat resin, adhesive and composite properties were determined and compared with those of PETI-5 (5000 g/mole). Relative to PETI-5 (5000 g/mole), PETI-5 (2500 g/mole) exhibited improved processability and equivalency in the adhesive and composite properties measured thus far. This resin, in both adhesive film and prepreg form, has the potential to offer significant improvements in the processing of complex structural composite parts.

Arterial extracellular matrix: a mechanobiological study of the contributions and interactions of elastin and collagen.

PubMed

Chow, Ming-Jay; Turcotte, Raphaël; Lin, Charles P; Zhang, Yanhang

2014-06-17

The complex network structure of elastin and collagen extracellular matrix (ECM) forms the primary load bearing components in the arterial wall. The structural and mechanobiological interactions between elastin and collagen are important for properly functioning arteries. Here, we examined the elastin and collagen organization, realignment, and recruitment by coupling mechanical loading and multiphoton imaging. Two-photon excitation fluorescence and second harmonic generation methods were performed with a multiphoton video-rate microscope to capture real time changes to the elastin and collagen structure during biaxial deformation. Enzymatic removal of elastin was performed to assess the structural changes of the remaining collagen structure. Quantitative analysis of the structural changes to elastin and collagen was made using a combination of two-dimensional fast Fourier transform and fractal analysis, which allows for a more complete understanding of structural changes. Our study provides new quantitative evidence, to our knowledge on the sequential engagement of different arterial ECM components in response to mechanical loading. The adventitial collagen exists as large wavy bundles of fibers that exhibit fiber engagement after 20% strain. The medial collagen is engaged throughout the stretching process, and prominent elastic fiber engagement is observed up to 20% strain after which the engagement plateaus. The fiber orientation distribution functions show remarkably different changes in the ECM structure in response to mechanical loading. The medial collagen shows an evident preferred circumferential distribution, however the fiber families of adventitial collagen are obscured by their waviness at no or low mechanical strains. Collagen fibers in both layers exhibit significant realignment in response to unequal biaxial loading. The elastic fibers are much more uniformly distributed and remained relatively unchanged due to loading. Removal of elastin produces similar structural changes in collagen as mechanical loading. Our study suggests that the elastic fibers are under tension and impart an intrinsic compressive stress on the collagen. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Evidence of host-associated divergence from coral-eating snails (genus Coralliophila) in the Coral Triangle

NASA Astrophysics Data System (ADS)

Simmonds, Sara E.; Chou, Vincent; Cheng, Samantha H.; Rachmawati, Rita; Calumpong, Hilconida P.; Ngurah Mahardika, G.; Barber, Paul H.

2018-06-01

We studied how host-associations and geography shape the genetic structure of sister species of marine snails Coralliophila radula (A. Adams, 1853) and C. violacea (Kiener, 1836). These obligate ectoparasites prey upon corals and are sympatric throughout much of their ranges in coral reefs of the tropical and subtropical Indo-Pacific. We tested for population genetic structure of snails in relation to geography and their host corals using mtDNA (COI) sequences in minimum spanning trees and AMOVAs. We also examined the evolutionary relationships of their Porites host coral species using maximum likelihood trees of RAD-seq (restriction site-associated DNA sequencing) loci mapped to a reference transcriptome. A maximum likelihood tree of host corals revealed three distinct clades. Coralliophila radula showed a pronounced genetic break across the Sunda Shelf ( Φ CT = 0.735) but exhibited no genetic structure with respect to host. C. violacea exhibited significant geographic structure ( Φ CT = 0.427), with divergence among Hawaiian populations, the Coral Triangle and the Indian Ocean. Notably, C. violacea showed evidence of ecological divergence; two lineages were associated with different groups of host coral species, one widespread found at all sites, and the other restricted to the Coral Triangle. Sympatric populations of C. violacea found on different suites of coral species were highly divergent ( Φ CT = 0.561, d = 5.13%), suggesting that symbiotic relationships may contribute to lineage diversification in the Coral Triangle.

Surface plasmon resonance and polarization change properties in centrosymmetric nanoright-triangle dimer arrays

NASA Astrophysics Data System (ADS)

Ma, Qilin; Liu, Guangqiang; Chen, Yiqing; Zhao, Qian; Guo, Jing; Yang, Shaosong; Cai, Weiping

2018-03-01

Dimer nanoparticles in a sandwich structure exhibit a large electric-field intensity enhancement. The dispersion relation between the surface plasmon resonance (SPR) and particle size has not been reported yet, owing to the effects of the particle size, shape, materials, etc. A sandwich structure, which contains a nano-right-triangle dimer array, SiO2 spacer, and Au film, is proposed, with a significant electric-field intensity enhancement and polarization-changing properties. The dependence of the peak positions of the two localized surface plasmon resonance (LSPR) modes as a function of the triangle thicknesses is discussed; different trends are observed for the different LSPR modes. We introduce a concept on the rule for LSPR peak position change, which can contribute to a better understanding of the LSPR modes. In addition, centrosymmetric but not axisymmetric structures, which like in our study exhibit surface plasmon polaritons typically show different responses to a different polarization of the incident light. Here, we showed that our centrosymmetric but not axisymmetric structure can change the linearly polarized light into a circularly or elliptically polarized wave, by surface plasmon-induced polarization properties. Far-field distribution maps are used to study the properties of the surface plasmons-induced circular or elliptic polarization wave. These findings could be employed to better understand the surface plasmon-induced polarization properties showed in previous reports and near-field of surface plasmons. These findings could be employed to better understand the near-field of surface plasmons and polarization properties.

Enhanced hydrogen evolution performance of ultra thin nanoslice/nanopetal structured XS{sub 2} (X = W, Mo): From experiment to theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Honglin; Tang, Zheng; Zhu, Ziqiang

2016-07-14

The production of H{sub 2} through water splitting to make the reaction process economical and friendly has attracted a lot attention. In this work, we synthesized the novel well-defined nanostructured WS{sub 2}/MoS{sub 2} composite for using as the electrocatalyst of hydrogen evolution. The final obtained nanoslice/nanopetal nanostructured WS{sub 2}/MoS{sub 2} composite possessed massive active sites that originated from its well-defined hierarchical structure with densely stacked MoS{sub 2} nanopetals. The synthesized composite exhibited significantly enhanced hydrogen evolution reaction (HER) activity and clearly superior to the pristine MoS{sub 2}/WS{sub 2}. With the purpose to give a theoretical explanation of the corresponding enhancementmore » mechanism, the first-principles investigation based on the density functional theory was further employed to survey the electronic properties of different structures. Charge density difference and Bader charge analyses revealed that electrons could directional transfer from WS{sub 2} to MoS{sub 2} and provided an “electron-rich” environment, which was beneficial to the improvement of HER efficiency. These analytical methods will necessarily offer new angles to explain the enhancement mechanism of HER processes regarding the interaction between WS{sub 2} and MoS{sub 2}, which can accurately elucidate the reason why composite structure exhibits a better HER performance based on the experimental results.« less

The influence of zeolites fly ash bead/TiO2 composite material surface morphologies on their adsorption and photocatalytic performance

NASA Astrophysics Data System (ADS)

Yang, Lu; Wang, Fazhou; Hakki, Amer; Macphee, Donald E.; Liu, Peng; Hu, Shuguang

2017-01-01

A low cost zeolite fly ash bead/TiO2 (ZFABT) composite materials with various surface structure features were prepared for describing those structures importance on TiO2 coating, adsorbability and photocatalytic performances. The results indicated that fly ash bead (FAB) surface was significantly altered by the precipitation/growth of secondary zeolite phases after alkali activation, which generates abundant open pores and stacked petal-liked spherical beads (∼2 μm, Sodalite zeolites). More importantly, this porosity increases as activation time was increased from 2 h to 12 h, through the precipitation of sodalite and then Na-P1 (lamellar crystals) and Na-X (octahedral crystals) zeolite structures. Compared to those of unsupported TiO2 or inactivated support/TiO2 samples, all of ZFABT samples exhibited a higher adsorption capacity and photocatalytic efficiency for RhB removal. However, adsorption is not only one factor to influence TiO2 surface reaction, the intraparticle diffusion rate of rhodamine B (RhB) molecules, and light penetration are also important parameters. Alkali activated 4 h ZFABT sample exhibited the highest photocatalytic activity, indicating its pore structure provided a better balance for those parameters to achieve a synergistic adsorption/photocatalytic process. The kinetics model suggested its high intraparticle diffusion rate allowed for more RhB molecules to easily reach the reaction surface, which is more important for high efficiency photocatalysis.

Only-child and non-only-child exhibit differences in creativity and agreeableness: evidence from behavioral and anatomical structural studies.

PubMed

Yang, Junyi; Hou, Xin; Wei, Dongtao; Wang, Kangcheng; Li, Yadan; Qiu, Jiang

2017-04-01

Different family composition and size inevitably make only-children different from non-only-children. Previous studies have focused on the differences in behaviors, such as cognitive function and personality traits, between the only-child and the non-only-child. However, there are few studies that have focused on the topic of whether different family environments influence children's brain structural development and whether behavior differentially has its neural basis between only-child and non-only-child status. Thus, in the present study, we investigated the differences in cognition (e.g., intelligence and creativity) and personality and the anatomical structural differences of gray matter volume (GMV) using voxel-based morphometry (VBM) between only-children and non-only-children. The behavioral results revealed that only-children exhibited higher flexibility scores (a dimension of creativity) and lower agreeableness scores (a dimension of personality traits) than non-only-children. Most importantly, the GMV results revealed that there were significant differences in the GMV between only-children and non-only-children that occurred mainly in the brain regions of the supramarginal gyrus, which was positively correlated with flexibility scores; the medial prefrontal cortex (mPFC), which was positively correlated with agreeableness scores; and the parahippocampal gyrus. These findings may suggest that family environment (i.e., only-child vs. non-only-child), may play important roles in the development of the behavior and brain structure of individuals.

STM/STS investigation of edge structure in epitaxial graphene

NASA Astrophysics Data System (ADS)

Ridene, M.; Girard, J. C.; Travers, L.; David, C.; Ouerghi, A.

2012-08-01

In this paper, we have used low temperature scanning tunneling microscopy and spectroscopy (LT-STM/STS) to study zigzag or armchair edges of epitaxial graphene on 6H-SiC (0001). The monolayer carbon structures exhibit occasionally one-dimensional ridge (1D) in close vicinity to step edge. This ridge exhibits different edges orientations in armchair-zigzag transition which give rise to different local density of states (LDOS) along this 1D structure. This ridge formation is likely explained by residual compressive in-plane stresses.

Structure and genetic diversity of Anacardium humile (Anacardiaceae): a tropical shrub.

PubMed

Cota, L G; Moreira, P A; Brandão, M M; Royo, V A; Junior, A F Melo; Menezes, E V; Oliveira, D A

2017-09-27

Anacardium humile Saint Hilaire is a tropical shrub native to the Cerrado biome. It is a fruiting species with biological, medicinal, and socioeconomic significance. Thus, knowing how the genetic variability of natural populations is organized allows for the establishment of strategies for conservation and the sustainable use of the species and its biome. Six microsatellite loci previously developed from Anacardium occidentale were used to investigate the spatial genetic structure and genetic diversity of eight natural A. humile populations based on analyses of 242 adult plants. The results obtained indicate that these populations show a high level of genetic diversity (expected heterozygosity = 0.710). The endogamy coefficient was positive and significant for most populations, with a mean of 0.142 (P = 0.001). The genetic differentiation between populations was low (θ = 0.075 and G ST = 0.066) but significant (P = 0.0001). The genotypes of five of the eight populations were non-randomly distributed with clusters of related plants for which the coancestry values were positive and significant. These populations exhibited high and significant endogamy indices. The results obtained for A. humile populations show that genetic conservation programs should be implemented to maintain this species.

Stacking fault density and bond orientational order of fcc ruthenium nanoparticles

NASA Astrophysics Data System (ADS)

Seo, Okkyun; Sakata, Osami; Kim, Jae Myung; Hiroi, Satoshi; Song, Chulho; Kumara, Loku Singgappulige Rosantha; Ohara, Koji; Dekura, Shun; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi

2017-12-01

We investigated crystal structure deviations of catalytic nanoparticles (NPs) using synchrotron powder X-ray diffraction. The samples were fcc ruthenium (Ru) NPs with diameters of 2.4, 3.5, 3.9, and 5.4 nm. We analyzed average crystal structures by applying the line profile method to a stacking fault model and local crystal structures using bond orientational order (BOO) parameters. The reflection peaks shifted depending on rules that apply to each stacking fault. We evaluated the quantitative stacking faults densities for fcc Ru NPs, and the stacking fault per number of layers was 2-4, which is quite large. Our analysis shows that the fcc Ru 2.4 nm-diameter NPs have a considerably high stacking fault density. The B factor tends to increase with the increasing stacking fault density. A structural parameter that we define from the BOO parameters exhibits a significant difference from the ideal value of the fcc structure. This indicates that the fcc Ru NPs are highly disordered.

Correlation Between Chain Architecture and Hydration Water Structure in Polysaccharides

NASA Astrophysics Data System (ADS)

Grossutti, Michael; Dutcher, John

The physical properties of confined water can differ dramatically from those of bulk water. Hydration water associated with polysaccharides provides a particularly important example of confined water, with differences in polysaccharide structure providing different spatially confined environments for water adsorption. We have used attenuated total reflection infrared (ATR-IR) spectroscopy to investigate the structure of hydration water in films of three different polysaccharides under controlled relative humidity (RH) conditions. We compare the results obtained for films of highly branched, monodisperse phytoglycogen nanoparticles to those obtained for two unbranched polysaccharides, hyaluronic acid (HA) and chitosan. We find similarities between water structuring in the two linear polysaccharides, and significant differences for phytoglycogen. In particular, the phytoglycogen nanoparticles exhibited high network water connectivity, and a large increase in the fraction of multimer water clusters with increasing RH, whereas the water structure for HA and chitosan was found to be insensitive to changes in RH. These measurements provide unique insight into the relationship between the chain architecture and hydration of polysaccharides.

DOE Office of Scientific and Technical Information (OSTI.GOV)

deLorimier, Elaine; Coonrod, Leslie A.; Copperman, Jeremy

In this study, CUG repeat expansions in the 3' UTR of dystrophia myotonica protein kinase ( DMPK) cause myotonic dystrophy type 1 (DM1). As RNA, these repeats elicit toxicity by sequestering splicing proteins, such as MBNL1, into protein–RNA aggregates. Structural studies demonstrate that CUG repeats can form A-form helices, suggesting that repeat secondary structure could be important in pathogenicity. To evaluate this hypothesis, we utilized structure-stabilizing RNA modifications pseudouridine (Ψ) and 2'-O-methylation to determine if stabilization of CUG helical conformations affected toxicity. CUG repeats modified with Ψ or 2'-O-methyl groups exhibited enhanced structural stability and reduced affinity for MBNL1. Molecularmore » dynamics and X-ray crystallography suggest a potential water-bridging mechanism for Ψ-mediated CUG repeat stabilization. Ψ modification of CUG repeats rescued mis-splicing in a DM1 cell model and prevented CUG repeat toxicity in zebrafish embryos. This study indicates that the structure of toxic RNAs has a significant role in controlling the onset of neuromuscular diseases.« less

The Importance of Large-Diameter Trees to Forest Structural Heterogeneity

PubMed Central

Lutz, James A.; Larson, Andrew J.; Freund, James A.; Swanson, Mark E.; Bible, Kenneth J.

2013-01-01

Large-diameter trees dominate the structure, dynamics and function of many temperate and tropical forests. However, their attendant contributions to forest heterogeneity are rarely addressed. We established the Wind River Forest Dynamics Plot, a 25.6 ha permanent plot within which we tagged and mapped all 30,973 woody stems ≥1 cm dbh, all 1,966 snags ≥10 cm dbh, and all shrub patches ≥2 m2. Basal area of the 26 woody species was 62.18 m2/ha, of which 61.60 m2/ha was trees and 0.58 m2/ha was tall shrubs. Large-diameter trees (≥100 cm dbh) comprised 1.5% of stems, 31.8% of basal area, and 17.6% of the heterogeneity of basal area, with basal area dominated by Tsuga heterophylla and Pseudotsuga menziesii. Small-diameter subpopulations of Pseudotsuga menziesii, Tsuga heterophylla and Thuja plicata, as well as all tree species combined, exhibited significant aggregation relative to the null model of complete spatial randomness (CSR) up to 9 m (P≤0.001). Patterns of large-diameter trees were either not different from CSR (Tsuga heterophylla), or exhibited slight aggregation (Pseudotsuga menziesii and Thuja plicata). Significant spatial repulsion between large-diameter and small-diameter Tsuga heterophylla suggests that large-diameter Tsuga heterophylla function as organizers of tree demography over decadal timescales through competitive interactions. Comparison among two forest dynamics plots suggests that forest structural diversity responds to intermediate-scale environmental heterogeneity and disturbances, similar to hypotheses about patterns of species richness, and richness- ecosystem function. Large mapped plots with detailed within-plot environmental spatial covariates will be required to test these hypotheses. PMID:24376579

The importance of large-diameter trees to forest structural heterogeneity.

PubMed

Lutz, James A; Larson, Andrew J; Freund, James A; Swanson, Mark E; Bible, Kenneth J

2013-01-01

Large-diameter trees dominate the structure, dynamics and function of many temperate and tropical forests. However, their attendant contributions to forest heterogeneity are rarely addressed. We established the Wind River Forest Dynamics Plot, a 25.6 ha permanent plot within which we tagged and mapped all 30,973 woody stems ≥ 1 cm dbh, all 1,966 snags ≥ 10 cm dbh, and all shrub patches ≥ 2 m(2). Basal area of the 26 woody species was 62.18 m(2)/ha, of which 61.60 m(2)/ha was trees and 0.58 m(2)/ha was tall shrubs. Large-diameter trees (≥ 100 cm dbh) comprised 1.5% of stems, 31.8% of basal area, and 17.6% of the heterogeneity of basal area, with basal area dominated by Tsuga heterophylla and Pseudotsuga menziesii. Small-diameter subpopulations of Pseudotsuga menziesii, Tsuga heterophylla and Thuja plicata, as well as all tree species combined, exhibited significant aggregation relative to the null model of complete spatial randomness (CSR) up to 9 m (P ≤ 0.001). Patterns of large-diameter trees were either not different from CSR (Tsuga heterophylla), or exhibited slight aggregation (Pseudotsuga menziesii and Thuja plicata). Significant spatial repulsion between large-diameter and small-diameter Tsuga heterophylla suggests that large-diameter Tsuga heterophylla function as organizers of tree demography over decadal timescales through competitive interactions. Comparison among two forest dynamics plots suggests that forest structural diversity responds to intermediate-scale environmental heterogeneity and disturbances, similar to hypotheses about patterns of species richness, and richness- ecosystem function. Large mapped plots with detailed within-plot environmental spatial covariates will be required to test these hypotheses.

Layered zinc hydroxide nanocones: synthesis, facile morphological and structural modification, and properties

NASA Astrophysics Data System (ADS)

Ma, Wei; Ma, Renzhi; Liang, Jianbo; Wang, Chengxiang; Liu, Xiaohe; Zhou, Kechao; Sasaki, Takayoshi

2014-10-01

Layered zinc hydroxide nanocones intercalated with DS- have been synthesized for the first time via a convenient synthetic approach, using homogeneous precipitation in the presence of urea and sodium dodecyl sulfate (SDS). SDS plays a significant role in controlling the morphologies of as-synthesized samples. Conical samples intercalated with various anions were transformed through an anion-exchange route in ethanol solution, and the original conical structure was perfectly maintained. Additionally, these DS--inserted nanocones can be transformed into square-like nanoplates in aqueous solution at room temperature, fulfilling the need for different morphology-dependent properties. Corresponding ZnO nanocones and nanoplates have been further obtained through the thermal calcination of NO3--intercalating zinc hydroxide nanocones/nanoplates. These ZnO nanostructures with different morphologies exhibit promising photocatalytic properties.Layered zinc hydroxide nanocones intercalated with DS- have been synthesized for the first time via a convenient synthetic approach, using homogeneous precipitation in the presence of urea and sodium dodecyl sulfate (SDS). SDS plays a significant role in controlling the morphologies of as-synthesized samples. Conical samples intercalated with various anions were transformed through an anion-exchange route in ethanol solution, and the original conical structure was perfectly maintained. Additionally, these DS--inserted nanocones can be transformed into square-like nanoplates in aqueous solution at room temperature, fulfilling the need for different morphology-dependent properties. Corresponding ZnO nanocones and nanoplates have been further obtained through the thermal calcination of NO3--intercalating zinc hydroxide nanocones/nanoplates. These ZnO nanostructures with different morphologies exhibit promising photocatalytic properties. Electronic supplementary information (ESI) available: Typical SEM images, TGA curves and XRD patterns of as-prepared samples. See DOI: 10.1039/c4nr04166f

Open-shell characters and second hyperpolarizabilities of one-dimensional graphene nanoflakes composed of trigonal graphene units.

PubMed

Yoneda, Kyohei; Nakano, Masayoshi; Fukui, Hitoshi; Minami, Takuya; Shigeta, Yasuteru; Kubo, Takashi; Botek, Edith; Champagne, Benoît

2011-06-20

The impact of topology on the open-shell characters and the second hyperpolarizabilities (γ) has been addressed for one-dimensional graphene nanoflakes (GNFs) composed of the smallest trigonal graphene (phenalenyl) units. The main results are: 1) These GNFs show not only diradical but also multiradical characters when increasing the number of linked units. 2) GNFs composed of an equivalent number of units can exhibit a wide range of open-shell characters-from nearly closed-shell to pure multiradical characters-depending on the linking pattern of the trigonal units. 3) This wide variation in open-shell characters is explained by their resonance structures and/or by their (HOMO-i)-(LUMO+i) gaps deduced from the orbital correlations. 4) The change in the linking structure of the units can effectively control their open-shell characters as well as their γ values, of which the longitudinal components are significantly enhanced for the singlet GNFs having intermediate open-shell characters. 5) Singlet alternately linked (AL) systems present intermediate multiradical characters even in the case of a large number of units, which creates a significant enhancement of γ with increasing the size, whereas nonalternately linked (NAL) systems, which present pure multiradical characters, possess much smaller γ values. Finally 6) by switching from the singlet to the highest spin states, the γ values of NAL systems hardly change, whereas those of AL systems exhibit large reductions. These fascinating structure-property relationships between the topology of the GNFs, their open-shell characters, and their γ values not only deepen the understanding of open-shell characters of GNFs but aim also at stimulating further design studies to achieve giant NLO responses based on open-shell graphene-like materials. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

PubMed

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

2013-06-18

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

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

PubMed Central

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

2013-01-01

Nature uses a diversity of glycoside hydrolase (GH) enzymes to convert polysaccharides to sugars. As lignocellulosic biomass deconstruction for biofuel production remains costly, natural GH diversity offers a starting point for developing industrial enzymes, and fungal GH family 7 (GH7) cellobiohydrolases, in particular, provide significant hydrolytic potential in industrial mixtures. Recently, GH7 enzymes have been found in other kingdoms of life besides fungi, including in animals and protists. Here, we describe the in vivo spatial expression distribution, properties, and structure of a unique endogenous GH7 cellulase from an animal, the marine wood borer Limnoria quadripunctata (LqCel7B). RT-quantitative PCR and Western blot studies show that LqCel7B is expressed in the hepatopancreas and secreted into the gut for wood degradation. We produced recombinant LqCel7B, with which we demonstrate that LqCel7B is a cellobiohydrolase and obtained four high-resolution crystal structures. Based on a crystallographic and computational comparison of LqCel7B to the well-characterized Hypocrea jecorina GH7 cellobiohydrolase, LqCel7B exhibits an extended substrate-binding motif at the tunnel entrance, which may aid in substrate acquisition and processivity. Interestingly, LqCel7B exhibits striking surface charges relative to fungal GH7 enzymes, which likely results from evolution in marine environments. We demonstrate that LqCel7B stability and activity remain unchanged, or increase at high salt concentration, and that the L. quadripunctata GH mixture generally contains cellulolytic enzymes with highly acidic surface charge compared with enzymes derived from terrestrial microbes. Overall, this study suggests that marine cellulases offer significant potential for utilization in high-solids industrial biomass conversion processes. PMID:23733951

Influence of substrate modification and C-terminal truncation on the active site structure of substrate-bound heme oxygenase from Neisseriae meningitidis; A 1H NMR study†

PubMed Central

Peng, Dungeng; Satterlee, James D.; Ma, Li-Hua; Dallas, Jerry L.; Smith, Kevin M.; Zhang, Xuhong; Sato, Michihiko; La Mar, Gerd N.

2011-01-01

Heme oxygenase, HO, from the pathogenic bacterium N. meningitidis, NmHO, which secures host iron, shares many properties with mammalian HOs, but also exhibits some key differences. The crystal structure appears more compact and the crystal-undetected C-terminus interacts with substrate in solution. The unique nature of substrate-protein, specifically pyrrole-I/II-helix-2, peripheral interactions in NmHO are probed by 2D 1H NMR to reveal unique structural features controlling substrate orientation. The thermodynamics of substrate orientational isomerism are mapped for substrates with individual vinyl → methyl → hydrogen substitutions and with enzyme C-terminal deletions. NmHO exhibits significantly stronger orientational preference, reflecting much stronger and selective pyrrole-I/II interactions with the protein matrix, than in mammalian HOs. Thus, replacing bulky vinyls with hydrogens results in a 180° rotation of substrate about the α,γ-meso axis in the active site. A "collapse" of the substrate pocket as substrate size decreases is reflected in movement of helix-2 toward the substrate as indicated by significant and selective increased NOESY cross peak intensity, increase in steric Fe-CN tilt reflected in the orientation of the major magnetic axis, and decrease in steric constraints controlling the rate of aromatic ring reorientation. The active site of NmHO appears "stressed" for native protohemin and its "collapse" upon replacing vinyls by hydrogen leads to a factor ~102 increase in substrate affinity. Interaction of the C-terminus with the active site destabilizes the crystallographic protohemin orientation by ~0.7 kcal/mol, which is consistent with optimizing the His207-Asp27 H-bond. Implications of the active site "stress" for product release are discussed. PMID:21870860

Dihydroxo-bridged dimeric Cu(II) system containing sandwiched non-coordinating phenylacetate anion: Crystal structure, spectroscopic, anti-bacterial, anti-fungal and DNA-binding studies of [(phen)(H2O)Cu(OH)2Cu(H2O)(phen)]2L.6H2O: (HL = phenylacetic acid; phen = 1,10-phenanthroline)

NASA Astrophysics Data System (ADS)

Iqbal, Muhammad; Ali, Saqib; Tahir, Muhammad Nawaz; Shah, Naseer Ali

2017-09-01

This paper reports the synthesis, X-ray crystal structure, DNA-binding, antibacterial and antifungal studies of a rare dihydroxo-bridged dinuclear copper(II) complex including 1,10-phenanthroline (Phen) ligands and phenylacetate (L) anions, [Cu2(Phen)2(OH)2(H2O)2].2L.6H2O. Structural data revealed distorted square-pyramidal geometry for each copper(II) atom with the basal plane formed by the two nitrogen atoms of the phenantroline ligand and the oxygen atoms of two bridging hydroxyl groups. The apical positions are filled by the oxygen atom from a water molecule. This forms a centrosymmetric cationic dimer where the uncoordinated phenylacetate ligands serve to balance the electrical charge. The dimers interact by means of hydrogen bonds aided by the coordinated as well as uncoordinated water molecules and phenyl-acetate moieties in the crystal lattice. The binding ability of the complex with salmon sperm DNA was determined using cyclic voltammetry and absorption spectroscopy yielding binding constants 2.426 × 104 M-1 and 1.399 × 104 M-1, respectively. The complex was screened against two Gram-positive (Micrococcus luteus and Bacillus subtilis) and one Gram-negative (Escherichia coli) bacterial strains exhibiting significant activity against all the three strains. The complex exhibited significant, moderate and no activity against fungal strains Mucor piriformis, Helminthosporium solani and Aspergillus Niger, respectively. These preliminary tests indicate the competence of the complex towards the development of a potent biological drug.

Effects of local vibrations on the dynamics of space truss structures

NASA Technical Reports Server (NTRS)

Warnaar, Dirk B.; Mcgowan, Paul E.

1987-01-01

The paper discusses the influence of local member vibrations on the dynamics of repetitive space truss structures. Several focus problems wherein local member vibration modes are in the frequency range of the global truss modes are discussed. Special attention is given to defining methods that can be used to identify the global modes of a truss structure amidst many local modes. Significant interactions between the motions of local member vibrations and the global behavior are shown to occur in truss structures when: (1) the natural frequencies of the individual members for clamped-clamped boundary conditions are in the vicinity of the global truss frequency; and (2) the total mass of the individual members represents a large portion of the mass of the whole structure. The analysis is carried out with a structural analysis code which uses exact member theory. The modeling detail required using conventional finite element codes to adequately represent such a class of problems is examined. The paper concludes with some practical considerations for the design and dynamic testing of structures which might exhibit such behavior.

Nonlinear mechanics of non-rigid origami: an efficient computational approach

NASA Astrophysics Data System (ADS)

Liu, K.; Paulino, G. H.

2017-10-01

Origami-inspired designs possess attractive applications to science and engineering (e.g. deployable, self-assembling, adaptable systems). The special geometric arrangement of panels and creases gives rise to unique mechanical properties of origami, such as reconfigurability, making origami designs well suited for tunable structures. Although often being ignored, origami structures exhibit additional soft modes beyond rigid folding due to the flexibility of thin sheets that further influence their behaviour. Actual behaviour of origami structures usually involves significant geometric nonlinearity, which amplifies the influence of additional soft modes. To investigate the nonlinear mechanics of origami structures with deformable panels, we present a structural engineering approach for simulating the nonlinear response of non-rigid origami structures. In this paper, we propose a fully nonlinear, displacement-based implicit formulation for performing static/quasi-static analyses of non-rigid origami structures based on `bar-and-hinge' models. The formulation itself leads to an efficient and robust numerical implementation. Agreement between real models and numerical simulations demonstrates the ability of the proposed approach to capture key features of origami behaviour.

Nonlinear mechanics of non-rigid origami: an efficient computational approach.

PubMed

Liu, K; Paulino, G H

2017-10-01

Origami-inspired designs possess attractive applications to science and engineering (e.g. deployable, self-assembling, adaptable systems). The special geometric arrangement of panels and creases gives rise to unique mechanical properties of origami, such as reconfigurability, making origami designs well suited for tunable structures. Although often being ignored, origami structures exhibit additional soft modes beyond rigid folding due to the flexibility of thin sheets that further influence their behaviour. Actual behaviour of origami structures usually involves significant geometric nonlinearity, which amplifies the influence of additional soft modes. To investigate the nonlinear mechanics of origami structures with deformable panels, we present a structural engineering approach for simulating the nonlinear response of non-rigid origami structures. In this paper, we propose a fully nonlinear, displacement-based implicit formulation for performing static/quasi-static analyses of non-rigid origami structures based on 'bar-and-hinge' models. The formulation itself leads to an efficient and robust numerical implementation. Agreement between real models and numerical simulations demonstrates the ability of the proposed approach to capture key features of origami behaviour.

A correlation between secondary structure and rheological properties of low-density lipoproteins at air/water interfaces.

PubMed

Khattari, Ziad

2017-09-01

The secondary structure of apolipoprotein B-100 is studied within the bulk phase and at the air/water interface. In these "in viro" experiments, infrared reflection absorption spectroscopy (IRRAS) study was performed at the air/water interface while circular dichroism (CD) was conducted in the bulk phase. In the bulk phase, the conformational structure containing a significant amount of β-structure, whereas varying amount of α-helix, unordered structures, and β-sheet were observed at the air/water interface depending on the low-density lipoprotein (LDL) film interfacial pressure. The present IRRAS results demonstrate the importance of interfacial pressure-induced structural conformations on the apoB-100. A correlation between the secondary structure of the apoB-100 protein and the monomolecular film elasticity at the air/water interface was also established. The orientation of apoB-100 with respect to the LDL film-normal was found to depend on the interfacial pressure exhibited by the monomolecular film. These results may shed light on LDL's pivotal role in the progression of atherosclerotic coronary artery disease as demonstrated previously by clinical trials.

The pitcher plant flesh fly exhibits a mixture of patchy and metapopulation attributes.

PubMed

Rasic, Gordana; Keyghobadi, Nusha

2012-01-01

We investigated the pattern of spatial genetic structure and the extent of gene flow in the pitcher plant flesh fly Fletcherimyia fletcheri, the largest member of the inquiline community of the purple pitcher plant Sarracenia purpurea. Using microsatellite loci, we tested the theoretical predictions of different hypothesized population models (patchy population, metapopulation, or isolated populations) among 11 bogs in Algonquin Provincial Park (Canada). Our results revealed that the pitcher plant flesh fly exhibits a mixture of patchy and metapopulation characteristics. There is significant differentiation among bogs and limited gene flow at larger spatial scales, but local populations do not experience frequent local extinctions/recolonizations. Our findings suggest a strong dispersal ability and stable population sizes in F. fletcheri, providing novel insights into the ecology of this member of a unique ecological microcosm.

Electrochemical Sensing, Photocatalytic and Biological Activities of ZnO Nanoparticles: Synthesis via Green Chemistry Route

NASA Astrophysics Data System (ADS)

Yadav, L. S. Reddy; Archana, B.; Lingaraju, K.; Kavitha, C.; Suresh, D.; Nagabhushana, H.; Nagaraju, G.

2016-05-01

In this paper, we have successfully synthesized ZnO nanoparticles (Nps) via solution combustion method using sugarcane juice as the novel fuel. The structure and morphology of the synthesized ZnO Nps have been analyzed using various analytical tools. The synthesized ZnO Nps exhibit excellent photocatalytic activity for the degradation of methylene blue dye, indicating that the ZnO Nps are potential photocatalytic semiconductor materials. The synthesized ZnO Nps also show good electrochemical sensing of dopamine. ZnO Nps exhibit significant bactericidal activity against Klebsiella aerogenes, Pseudomonas aeruginosa, Eschesichia coli and Staphylococcus aureus using agar well diffusion method. Furthermore, the ZnO Nps show good antioxidant activity by potentially scavenging 1-diphenyl-2-picrylhydrazyl (DPPH) radicals. The above studies clearly demonstrate versatile applications of ZnO synthesized by simple eco-friendly route.

New Synthesis Of Poly(1,3,4-Oxadiazoles)

NASA Technical Reports Server (NTRS)

Connell, John W.; Hergenrother, Paul M.; Wolf, Peter

1992-01-01

Synthesis via aromatic nucleophilic displacement yields new high-molecular-weight polymers. Polymers exhibited good mechanical and thermal properties. Synthetic route provided high-molecular-weight POX of new chemical structure, potentially more economical. Availability of large variety of activated aromatic dihalides, facilitates variation of chemical structures. Exhibit properties making them useful as films. Also useful in coatings, adhesives, moldings, and composites.

Origin of magnetic anisotropy in doped Ce 2 Co 17 alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ke, Liqin; Kukusta, D. A.; Johnson, Duane D.

2016-10-21

Magnetocrystalline anisotropy (MCA) in doped Ce 2Co 17 and other competing structures was investigated using density functional theory. We confirmed that the MCA contribution from dumbbell Co sites is very negative. Replacing Co dumbbell atoms with a pair of Fe or Mn atoms greatly enhance the uniaxial anisotropy, which agrees quantitatively with experiment, and this enhancement arises from electronic-structure features near the Fermi level, mostly associated with dumbbell sites. With Co dumbbell atoms replaced by other elements, the variation of anisotropy is generally a collective effect and contributions from other sublattices may change significantly. Furthermore, we found that Zr dopingmore » promotes the formation of 1-5 structure that exhibits a large uniaxial anisotropy, such that Zr is the most effective element to enhance MCA in this system.« less

Metal-Organic-Framework-Derived Yolk-Shell-Structured Cobalt-Based Bimetallic Oxide Polyhedron with High Activity for Electrocatalytic Oxygen Evolution.

PubMed

Yu, Zhou; Bai, Yu; Liu, Yuxuan; Zhang, Shimin; Chen, Dandan; Zhang, Naiqing; Sun, Kening

2017-09-20

The development of inexpensive, efficient, and environmentally friendly catalysts for oxygen evolution reaction (OER) is of great significant for green energy utilization. Herein, binary metal oxides (M x Co 3-x O 4 , M = Zn, Ni, and Cu) with yolk-shell polyhedron (YSP) structure were fabricated by facile pyrolysis of bimetallic zeolitic imidazolate frameworks (MCo-ZIFs). Benefiting from the synergistic effects of metal ions and the unique yolk-shell structure, M x Co 3-x O 4 YSP displays good OER catalytic activity in alkaline media. Impressively, Zn x Co 3-x O 4 YSP shows a comparable overpotential of 337 mV at 10 mA cm -2 to commercial RuO 2 and exhibits superior long-term durability. The high activity and good stability reveals its promising application.

Structural Basis for Binding and Selectivity of Antimalarial and Anticancer Ethylenediamine Inhibitors to Protein Farnesyltransferase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hast, Michael A.; Fletcher, Steven; Cummings, Christopher G.

Protein farnesyltransferase (FTase) catalyzes an essential posttranslational lipid modification of more than 60 proteins involved in intracellular signal transduction networks. FTase inhibitors have emerged as a significant target for development of anticancer therapeutics and, more recently, for the treatment of parasitic diseases caused by protozoan pathogens, including malaria (Plasmodium falciparum). We present the X-ray crystallographic structures of complexes of mammalian FTase with five inhibitors based on an ethylenediamine scaffold, two of which exhibit over 1000-fold selective inhibition of P. falciparum FTase. These structures reveal the dominant determinants in both the inhibitor and enzyme that control binding and selectivity. Comparison tomore » a homology model constructed for the P. falciparum FTase suggests opportunities for further improving selectivity of a new generation of antimalarial inhibitors.« less

Photosensitization of Intact Heart Mitochondria by the Phthalocyanine Pc 4: Correlation of Structural and Functional Deficits with Cytochrome c Release

PubMed Central

Kim, Junhwan; Fujioka, Hisashi; Oleinick, Nancy L.; Anderson, Vernon E.

2010-01-01

Singlet oxygen is produced by absorption of red light by the phthalocyanine dye, Pc 4, followed by energy transfer to dissolved triplet oxygen. Mitochondria pre-incubated with Pc 4 were illuminated by red light and the damage to mitochondrial structure and function by the generated singlet oxygen was studied. At early illumination times (3–5 min. of red light exposure), state 3 respiration was inhibited (50%) while state 4 activity increased, resulting in effectively complete uncoupling. Individual complex activities were measured and only complex IV activity was significantly reduced and exhibited a dose response while the activities of electron transport complexes I, II and III were not significantly affected. Cyt c release was an increasing function of irradiation time with 30% being released following 5 min. of illumination. Mitochondrial expansion along with changes in the structure of the cristae were observed by transmission electron microscopy following 5 min. of irradiation with an increase of large vacuoles and membrane rupture occurring following more extensive exposures. PMID:20510354

Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations

PubMed Central

2016-01-01

Aluminum alkoxide complexes (2) of salen ligands with a three-carbon linker and para substituents having variable electron-withdrawing capabilities (X = NO2, Br, OMe) were prepared, and the kinetics of their ring-opening polymerization (ROP) of ε-caprolactone (CL) were investigated as a function of temperature, with the aim of drawing comparisons to similar systems with two-carbon linkers investigated previously (1). While 1 and 2 exhibit saturation kinetics and similar dependences of their ROP rates on substituents X (invariant Keq, similar Hammett ρ = +1.4(1) and 1.2(1) for k2, respectively), ROP by 2 was significantly faster than for 1. Theoretical calculations confirm that, while the reactant structures differ, the transition state geometries are quite similar, and by analyzing the energetics of the involved distortions accompanying the structural changes, a significant contribution to the basis for the rate differences was identified. Using this knowledge, a simplified computational method for evaluating ligand structural influences on cyclic ester ROP rates is proposed that may have utility for future catalyst design. PMID:26900488

High-temperature testing of high performance fiber reinforced concrete

NASA Astrophysics Data System (ADS)

Fořt, Jan; Vejmelková, Eva; Pavlíková, Milena; Trník, Anton; Čítek, David; Kolísko, Jiří; Černý, Robert; Pavlík, Zbyšek

2016-06-01

The effect of high-temperature exposure on properties of High Performance Fiber Reinforced Concrete (HPFRC) is researched in the paper. At first, reference measurements are done on HPFRC samples without high-temperature loading. Then, the HPFRC samples are exposed to the temperatures of 200, 400, 600, 800, and 1000 °C. For the temperature loaded samples, measurement of residual mechanical and basic physical properties is done. Linear thermal expansion coefficient as function of temperature is accessed on the basis of measured thermal strain data. Additionally, simultaneous difference scanning calorimetry (DSC) and thermogravimetry (TG) analysis is performed in order to observe and explain material changes at elevated temperature. It is found that the applied high temperature loading significantly increases material porosity due to the physical, chemical and combined damage of material inner structure, and negatively affects also the mechanical strength. Linear thermal expansion coefficient exhibits significant dependence on temperature and changes of material structure. The obtained data will find use as input material parameters for modelling the damage of HPFRC structures exposed to the fire and high temperature action.

Structure and mechanical properties of improved cast stainless steels for nuclear applications

DOE PAGES

Kenik, Edward A.; Busby, Jeremy T.; Gussev, Maxim N.; ...

2016-10-27

Casting of stainless steels is a promising and cost saving way of directly producing large and complex structures, such a shield modules or divertors for the ITER. Here, a series of modified high-nitrogen cast steels has been developed and characterized. The steels, based on the cast equivalent of 316 composition, have increased N (0.14-0.36%) and Mn (2-5.1%) content; copper was added to one of the heats. Mechanical tests were conducted with non-irradiated and neutron irradiated specimens at 0.7 dpa. It was established that alloying by nitrogen significantly improves the yield stress of non-irradiated steels and the deformation hardening rate. Manganesemore » tended to decrease yield stress, but increased radiation hardening. Furthermore, the role of copper on mechanical properties was negligibly small. Analysis of structure was conducted using SEM-EDS and the nature and compositions of the second phases and inclusions were analyzed in detail. We show that the modified steels, compared to reference material, exhibit significantly reduced elemental inhomogeneity and second phase formation.« less

Measurements of the nucleon structure function in the range 0.002 < x < 0.17 and 00.2 < Q2 < 8 GeV2 in deuterium, carbon and calcium

NASA Astrophysics Data System (ADS)

European Muon Collaboration; Arneodo, M.; Arvidson, A.; Aubert, J. J.; Badelek, B.; Beaufays, J.; Bee, C. P.; Benchouk, C.; Berghoff, G.; Bird, I. G.; Blum, D.; Böhm, E.; de Bouard, X.; Brasse, F. W.; Braun, H.; Broll, C.; Brown, S. C.; Brück, H.; Calén, H.; Chima, J. S.; Ciborowski, J.; Clifft, R.; Coignet, G.; Combley, F.; Coughlan, J.; d'Agostini, G.; Dahlgren, S.; Derado, I.; Dreyer, T.; Drees, J.; Düren, M.; Eckardt, V.; Edwards, A.; Edwards, M.; Ernst, T.; Eszes, G.; Favier, J.; Ferrero, M. I.; Figiel, J.; Flauger, W.; Foster, J.; Gabathuler, E.; Gajewski, J.; Gamet, R.; Geddes, N.; Grafström, P.; Gustafsson, L.; Haas, J.; Hagberg, E.; Hasert, F. J.; Hayman, P.; Heusse, P.; Jaffre, M.; Jacholkowska, A.; Janata, F.; Jancso, G.; Johnson, A. S.; Kabuss, E. M.; Kellner, G.; Krüger, A.; Krüger, J.; Kullander, S.; Landgraf, U.; Lanske, D.; Loken, J.; Long, K.; Maire, M.; Malecki, P.; Manz, A.; Maselli, S.; Mohr, W.; Montanet, F.; Montgomery, H. E.; Nagy, E.; Nassalski, J.; Norton, P. R.; Oakham, F. G.; Osborne, A. M.; Pascaud, C.; Pawlik, B.; Payre, P.; Peroni, C.; Peschel, H.; Pessard, H.; Pettingale, J.; Pietrzyk, B.; Poensgen, B.; Pötsch, M.; Renton, P.; Ribarics, P.; Rith, K.; Rondio, E.; Sandacz, A.; Scheer, M.; Schlagböhmer, A.; Schiemann, H.; Schmitz, N.; Schneegans, M.; Scholz, M.; Schouten, M.; Schröder, T.; Schultze, K.; Sloan, T.; Stier, H. E.; Studt, M.; Taylor, G. N.; Thenard, J. M.; Thompson, J. C.; de la Torre, A.; Toth, J.; Urban, L.; Urban, L.; Wallucks, W.; Whalley, M.; Wheeler, S.; Williams, W. S. C.; Wimpenny, S. J.; Windmolders, R.; Wolf, G.

1990-03-01

Small angle scattering of 280 GeV positive muons by deuterium, carbon and calcium has been measured at scattering angles down to 2 mrad. The nucleon structure function F2 extracted from deuterium does not show a significant x dependence in the measured range of Q2 and its Q2 dependence is linear in logQ2. For calcium, a depletion of F2 is observed at low x by 30% as compared with the values at x = 0.1 where F2(Ca) and F2 (D) are not significantly different. This depletion is attributed to shadowing. The carbon structure function exhibits a similar, but less pronounced, x dependence. Such behaviour is observed to be independent of Q2. The data are consistent with those obtained from other charged lepton experiments both at similar and higher values of x and Q2 and considerably extend the range of the measurements down to the low values of x to be measured in forthcoming experiments at HERA.

Phosphagen kinase in Schistosoma japonicum: characterization of its enzymatic properties and determination of its gene structure.

PubMed

Tokuhiro, Shinji; Uda, Kouji; Yano, Hiroko; Nagataki, Mitsuru; Jarilla, Blanca R; Suzuki, Tomohiko; Agatsuma, Takeshi

2013-04-01

Phosphagen kinases (PKs) play a major role in the regulation of energy metabolism in animals. Creatine kinase (CK) is the sole PK in vertebrates, whereas several PKs are present in invertebrates. Here, we report the enzymatic properties and gene structure of PK in the trematode Schistosoma japonicum (Sj). SjPK has a unique contiguous dimeric structure comprising domain 1 (D1) and domain 2 (D2). The three states of the recombinant SjPK (D1, D2, and D1D2) show a specific activity for the substrate taurocyamine. The comparison of the two domains of SjPK revealed that D1 had a high turnover rate (kcat=52.91) and D2 exhibited a high affinity for taurocyamine (Km(Tauro) =0.53±0.06). The full-length protein exhibited higher affinity for taurocyamine (Km(Tauro) =0.47±0.03) than the truncated domains (D1=1.30±0.10, D2=0.53±0.06). D1D2 also exhibited higher catalytic efficiency (kcat/Km(Tauro) =82.98) than D1 (40.70) and D2 (29.04). These results demonstrated that both domains of SjTKD1D2 interacted efficiently and remained functional. The three-dimensional structure of SjPKD1 was constructed by the homology modeling based on the transition state analog complex state of Limulus AK. This protein model of SjPKD1 suggests that the overall structure is almost conserve between SjPKD1 and Limulus AK except for the flexible loops, that is, particularly guanidino-specificity (GS) region, which is associated with the recognition of the corresponding guanidino substrate. The constructed NJ tree and the comparison of exon/intron organization suggest that SjTK has evolved from an arginine kinase (AK) gene. SjTK has potential as a novel antihelminthic drug target as it is absent in mammals and its strong activity may imply a significant role for this protein in the energy metabolism of the parasite. Copyright © 2013 Elsevier B.V. All rights reserved.

The effects of the interaction between cognitive style and instructional strategy on the educational outcomes for a science exhibit

NASA Astrophysics Data System (ADS)

Knappenberger, Naomi

This dissertation examines factors which may affect the educational effectiveness of science exhibits. Exhibit effectiveness is the result of a complex interaction among exhibit features, cognitive characteristics of the museum visitor, and educational outcomes. The purpose of this study was to determine the relative proportions of field-dependent and field-independent visitors in the museum audience, and to ascertain if the cognitive style of visitors interacted with instructional strategies to affect the educational outcomes for a computer-based science exhibit. Cognitive style refers to the self-consistent modes of selecting and processing information that an individual employs throughout his or her perceptual and intellectual activities. It has a broad influence on many aspects of personality and behavior, including perception, memory, problem solving, interest, and even social behaviors and self-concept. As such, it constitutes essential dimensions of individual differences among museum visitors and has important implications for instructional design in the museum. The study was conducted in the spring of 1998 at the Adler Planetarium and Astronomy Museum in Chicago. Two experimental treatments of a computer-based exhibit were tested in the study. The first experimental treatment utilized strategies designed for field-dependent visitors that limited the text and provided more structure and cueing than the baseline treatment of the computer program. The other experimental treatment utilized strategies designed for field-independent visitors that provided hypothesis-testing and more contextual information. Approximately two-thirds of the visitors were field-independent. The results of a multiple regression analysis indicated that there was a significant interaction between cognitive style and instructional strategy that affected visitors' posttest scores on a multiple-choice test of the content. Field-independent visitors out- performed the field-dependent visitors in the control, baseline, and both experimental treatments. Both field-dependent and field-independent visitor posttest scores increased in the field-dependent experimental treatment and in the field-independent treatment. The most effective treatment for all visitors was the field-independent treatment. Criteria for designing a computer-based exhibit to meet the needs of all visitors were recommended. These included organized, concise text; a structured, rather than exploratory design; and cueing in the form of questions, bold fonts, underlining of important words and concepts, and captioned images.

Inhibition of the NF-κB signaling pathway by the curcumin analog, 3,5-Bis(2-pyridinylmethylidene)-4-piperidone (EF31): anti-inflammatory and anti-cancer properties

PubMed Central

Olivera, Anlys; Moore, Terry W.; Hu, Fang; Brown, Andrew P.; Sun, Aiming; Liotta, Dennis C.; Snyder, James P.; Yoon, Younghyoun; Shim, Hyunsuk; Marcus, Adam I.; Miller, Andrew H.; Pace, Thaddeus W. W.

2012-01-01

Nuclear factor kappa B (NF-κB) is a key signaling molecule in the elaboration of the inflammatory response. Data indicate that curcumin, a natural ingredient of the curry spice turmeric, acts as a NF-κB inhibitor and exhibits both anti-inflammatory and anti-cancer properties. Curcumin analogues with enhanced activity on the NF-κB and other inflammatory signaling pathways have been developed including the synthetic monoketone compound termed 3,5-Bis(2-fluorobenzylidene)-4-piperidone (EF24). 3,5-Bis(2-pyridinylmethylidene)-4-piperidone (EF31) is a structurally-related curcumin analogue whose potency for NF-κB inhibition has yet to be determined. To examine the activity of EF31 compared to EF24 and curcumin, mouse RAW264.7 macrophages were treated with EF31, EF24, curcumin (1–100µM) or vehicle (DMSO 1%) for 1 hour. NF-κB pathway activity was assessed following treatment with lipopolysaccharide (LPS) (1µg/mL). EF31 (IC50 ~5µM) exhibited significantly more potent inhibition of LPS-induced NF-κB DNA binding compared to both EF24 (IC50~35µM) and curcumin (IC50 >50µM). In addition, EF31 exhibited significantly greater inhibition of NF-κB nuclear translocation as well as the induction of downstream inflammatory mediators including pro-inflammatory cytokine mRNA and protein (tumor necrosis factor-α, interleukin-1β, and interleukin-6). Regarding the mechanism of these effects on NF-κB activity, EF31 (IC50~1.92µM) exhibited significantly greater inhibition of IκB kinase β compared to EF24 (IC50~131µM). Finally, EF31 demonstrated potent toxicity in NF-κB-dependent cancer cell lines while having minimal and reversible toxicity in RAW264.7 macrophages. These data indicate that EF31 is a more potent inhibitor of NF-κB activity than either EF24 or curcumin while exhibiting both anti-inflammatory and anticancer activities. Thus, EF31 represents a promising curcumin analogue for further therapeutic development. PMID:22197802

Influence of injected interstitials on the void swelling in two structural variants of 304L stainless steel induced by self-ion irradiation at 500 °C

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, C.; Garner, F. A.; Shao, L.

The two variants of AISI 304L stainless steel (SS) with different grain size distributions were ion irradiated at 500 °C to a peak dose of ~60 dpa. In the coarse-grained annealed variant, a peak swelling of ~12% was observed closer to the specimen surface rather than at the depth of peak displacement damage. The forward shift in depth between peak swelling and peak dose is proposed to be a consequence of suppression of void nucleation by injected interstitials. The swelling behavior in the front portion of the ion range mirrors that of neutron-induced swelling in this steel, exhibiting significant curvaturemore » with increasing dose as the swelling rate approaches the terminal swelling rate of 1%/dpa. Furthermore, an ultrafine grain variant of this steel produced by severely plastic deformation exhibits a similar suppression of void nucleation in the injected interstitial region, but also shows a significantly extended transient regime, not reaching the terminal swelling rate by 60 dpa.« less

SMART Tubing Presents an Increased Risk of Disconnection During Extracorporeal Circulation

PubMed Central

Newling, Ross; Morris, Richard

2005-01-01

Abstract: A number of products exhibiting biocompatible features have been developed for use in extracorporeal blood circuits during cardiopulmonary bypass procedures. While attention has been focused on biocompatibility features of the blood-circuit interface, a number of issues applicable in clinical use of these circuits have arisen. Surface Modifying Additive Technology (SMART; Cobe Cardiovascular, Arvarda, CO) is one such technology. In this product, the structure of normal polyvinylchloride (PVC) tubing is altered through the blending of two copolymers to give a more biocompatible blood to plastic interface. In this study, we examined the in vitro mechanical ability of random samples (n = 10) of SMART and standard PVC tubing to withstand axial tension when the tubing was placed over a single barb of a connector. The tension required to remove the SMART tubing from the connector (83.3 ± 7.3 [SD] N), was significantly less than standard PVC tubing (115.6 ± 15.9 N; p < .0001, unpaired t test). The SMART tubing exhibited a 28% reduction in tubing to connector adhesion, which may have a significant effect on extracorporeal circuit disconnection and overall patient safety. PMID:16524161

A four-field model for collisionless reconnection: Hamiltonian structure and numerical simulations

NASA Astrophysics Data System (ADS)

Tassi, Emanuele; Grasso, Daniela; Pegoraro, Francesco

2008-11-01

A 4-field model for magnetic reconnection in collisionless plasmas is investigated both analytically and numerically. The model equations are shown to admit a non-canonical Hamiltonian formulation with four infinite families of Casimir invariants [1]. Numerical simulations show that, consistently with previously investigated models [2,3], in the absence of significant fluctuations along the toroidal direction, reconnection can lead to a macroscopic saturated state exhibiting filamentation on microsocopic scales, or to a secondary Kelvin-Helmholtz-like instability, depending on the value of a parameter measuring the compressibility of the electron fluid. The novel feature exhibited by the four-field model is the coexistence of significant filamentation with a secondary instability when magnetic and velocity perturbations along the toroidal direction are no longer negligible. An interpretation of this phenomenon in terms of Casimir invariants is given.[0pt] [1] E. Tassi et al., Plasma Phys. Contr. Fus., 50, 085014 (2008)[0pt] [2] D. Grasso et al., Phys. Rev. Lett. 86, 5051 (2001)[0pt] [3] D. Del Sarto, F. Califano and F. Pegoraro, Phys. Plasmas 12, 012317 (2005)

Influence of injected interstitials on the void swelling in two structural variants of 304L stainless steel induced by self-ion irradiation at 500 °C

DOE PAGES

Sun, C.; Garner, F. A.; Shao, L.; ...

2017-03-28

The two variants of AISI 304L stainless steel (SS) with different grain size distributions were ion irradiated at 500 °C to a peak dose of ~60 dpa. In the coarse-grained annealed variant, a peak swelling of ~12% was observed closer to the specimen surface rather than at the depth of peak displacement damage. The forward shift in depth between peak swelling and peak dose is proposed to be a consequence of suppression of void nucleation by injected interstitials. The swelling behavior in the front portion of the ion range mirrors that of neutron-induced swelling in this steel, exhibiting significant curvaturemore » with increasing dose as the swelling rate approaches the terminal swelling rate of 1%/dpa. Furthermore, an ultrafine grain variant of this steel produced by severely plastic deformation exhibits a similar suppression of void nucleation in the injected interstitial region, but also shows a significantly extended transient regime, not reaching the terminal swelling rate by 60 dpa.« less

Changes in breeding bird populations in North Dakota: 1967 to 1992-93

USGS Publications Warehouse

Igl, L.D.; Johnson, D.H.

1997-01-01

We compared breeding bird populations in North Dakota using surveys conducted in 1967 and 1992-93. In decreasing order, the five most frequently occurring species were Horned Lark (Eremophila alpestris), Brown-headed Cowbird (Molothrus ater), Western Meadowlark (Sturnella neglecta), Red-winged Blackbird (Agelaius phoeniceus), and Eastern Kingbird (Tyrannus tyrannus). The five most abundant species - Horned Lark, Chestnut-collared Longspur (Calcarius ornatus), Red-winged Blackbird, Western Meadowlark, and Brown-headed Cowbird - accounted for 31-41% of the estimated statewide breeding bird population in the three years. Although species composition remained relatively similar among years, between-year patterns in abundance and frequency varied considerably among species. Data from this survey and the North American Breeding Bird Survey indicated that species exhibiting significant declines were primarily grassland- and wetland-breeding birds, whereas species exhibiting significant increases primarily were those associated with human structures and woody vegetation. Population declines and increases for species with similar habitat associations paralleled breeding habitat changes, providing evidence that factors on the breeding grounds are having a detectable effect on breeding birds in the northern Great Plains.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaufman, Allan N.; Tracy, Eugene R.; Brizard, Alain J.

The process of resonant wave conversion (often called linear mode conversion) has traditionally been analyzed with a spatially one-dimensional slab model, for which the rays propagate in a two-dimensional phase space. However, it has recently been shown [E. R. Tracy and A. N. Kaufman, Phys. Rev. Lett. 91, 130402 (2003)] that multidimensional rays have a helical structure for conversion in two or more spatial dimensions (if their dispersion matrix is generic). In that case, a one-dimensional model is inadequate; a correct analysis requires two spatial dimensions and, thus, four-dimensional phase space. A cold-plasma model is introduced in this paper whichmore » exhibits ray helicity in conversion regions where the density and magnetic field gradients are significantly nonparallel. For illustration, such regions are identified in a model of the poloidal plane of a deuterium-tritium tokamak plasma. In each conversion region, characterized by a six-sector topology, rays in the sector for incident and reflected magnetosonic waves exhibit significant helicity. A detailed analytic and numerical study of helical rays in this sector is developed for a 'symmetric-wedge' model.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaufman, Allan N.; Tracy, Eugene R.; Brizard, Alain J.

The process of resonant wave conversion (often called linear mode conversion) has traditionally been analyzed with a spatially one-dimensional slab model, for which the rays propagate in a two-dimensional phase space. However, it has recently been shown [E.R. Tracy and A.N. Kaufman, Phys. Rev. Lett. 91, 130402 (2003)] that multidimensional rays have a helical structure for conversion in two or more spatial dimensions (if their dispersion matrix is generic). In that case, a one-dimensional model is inadequate; a correct analysis requires two spatial dimensions and, thus, four-dimensional phase space. In this paper we show that a cold plasma model willmore » exhibit ray helicity in conversion regions where the density and magnetic field gradients are significantly non-parallel. For illustration, we examine a model of the poloidal plane of a deuterium-tritium tokamak plasma, and identify such a region. In this region, characterized by a six-sector topology, rays in the sector for incident and reflected magnetosonic waves exhibit significant helicity. We introduce a ''symmetric-wedge'' model, to develop a detailed analytic and numerical study of helical rays in this sector.« less

The effect of physician and health plan market concentration on prices in commercial health insurance markets.

PubMed

Schneider, John E; Li, Pengxiang; Klepser, Donald G; Peterson, N Andrew; Brown, Timothy T; Scheffler, Richard M

2008-03-01

The objective of this paper is to describe the market structure of health plans (HPs) and physician organizations (POs) in California, a state with high levels of managed care penetration and selective contracting. First we calculate Herfindahl-Hirschman (HHI) concentration indices for HPs and POs in 42 California counties. We then estimate a multivariable regression model to examine the relationship between concentration measures and the prices paid by HPs to POs. Price data is from Medstat MarketScan databases. The findings show that any California counties exhibit what the Department of Justice would consider high HHI concentration measures, in excess of 1,800. More than three quarters of California counties exhibit HP concentration indices over 1,800, and 83% of counties have PO concentration levels in excess of 1,800. Half of the study counties exhibited PO concentration levels in excess of 3,600, compared to only 24% for plans. Multivariate price models suggest that PO concentration is associated with higher physician prices (p < or = 0.05), whereas HP concentration does not appear to be significantly associated with higher outpatient commercial payer prices.

Cytological and ultrastructural studies on root tissues

NASA Technical Reports Server (NTRS)

Slocum, R. D.; Gaynor, J. J.; Galston, A. W.

1984-01-01

The anatomy and fine structure of roots from oat and mung bean seedlings, grown under microgravity conditions for 8 days aboard the Space Shuttle, was examined and compared to that of roots from ground control plants grown under similar conditions. Roots from both sets of oat seedlings exhibited characteristic monocotyledonous tissue organization and normal ultrastructural features, except for cortex cell mitochondria, which exhibited a 'swollen' morphology. Various stages of cell division were observed in the meristematic tissues of oat roots. Ground control and flight-grown mung bean roots also showed normal tissue organization, but root cap cells in the flight-grown roots were collapsed and degraded in appearance, especially at the cap periphery. At the ultrastructural level, these cells exhibited a loss of organelle integrity and a highly-condensed cytoplasm. This latter observation perhaps suggests a differing tissue sensitivity for the two species to growth conditions employed in space flight. The basis for abnormal root cap cell development is not understood, but the loss of these putative gravity-sensing cells holds potential significance for long term plant growth orientation during space flight.

Are all conservatives alike? A study of the psychological correlates of cultural and economic conservatism.

PubMed

Crowson, H Michael

2009-10-01

The author addresses the question of whether cultural and economic conservatism differ among American citizens in their relation to measures of epistemic beliefs and motives, dogmatism, death-related anxiety, and the tendency to exhibit dogmatic aggression against those who hold beliefs and values that diverge from one's own. Data from this study suggest that these types of conservative attitudes exhibit different correlational patterns with the aforementioned measures. Research participants who held more culturally conservative attitudes were more likely to score higher on measures of the belief that knowledge is certain, dogmatism, need to evaluate, and fear of death. They also scored lower on need for cognition than did their less conservative counterparts. Moreover, participants who scored higher on cultural conservatism were more likely to exhibit dogmatic aggression. Economic conservatism was largely unrelated to measures of epistemic beliefs and motives, fear of death, dogmatism, and aggressiveness. Ancillary regression analyses revealed that belief that knowledge is certain and dogmatism were the strongest predictors of cultural conservatism. Cultural conservatism, fear of death, and need for structure were significant predictors of dogmatic aggression.

Thoracolumbar spinal ligaments exhibit negative and transverse pre-strain.

PubMed

Robertson, Daniel J; Von Forell, Gregory A; Alsup, Jeremy; Bowden, Anton E

2013-07-01

The present work represents the first reported bi-axial spinal ligament pre-strain data for the thoracic and lumbar spine. Ligament pre-strain (in-situ strain) is known to significantly alter joint biomechanics. However, there is currently a lack of comprehensive data with regards to spinal ligament pre-strain. The current work determined the pre-strain of 71 spinal ligaments (30 anterior longitudinal ligaments, 27 supraspinous ligaments and 14 interspinous ligaments). The interspinous ligament and the anterior longitudinal ligament exhibited bi-axial pre-strain distributions, demonstrating they are not uniaxial structures. The supraspinous ligament frequently exhibited large amounts of negative pre-strain or laxity suggesting it makes no mechanical contribution to spinal stability near the neutral posture. Upon implementing multi-axial pre-strain results into a finite element model of the lumbar spine, large differences in spinal biomechanics were observed. These results demonstrate the necessity of accounting for ligament pre-strain in biomechanical models. In addition, the authors present a unique experimental method for obtaining ligament pre-strain that presents a number of advantages when compared to standard techniques. Copyright © 2013 Elsevier Ltd. All rights reserved.

Social Media and Scientific Meetings: Education Exhibit "Likes" at the Radiological Society of North America Annual Meeting.

PubMed

Bunch, Paul M; Wortman, Jeremy R; Andriole, Katherine P

2016-03-01

Viewers of electronic education exhibits at the 2013 and 2014 Radiological Society of North America meetings had the opportunity to "like" exhibits, as one might "like" a Facebook or an Instagram post. The purposes of this study were (1) to evaluate for a relationship between exhibit popularity and receiving an award or RadioGraphics invitation, (2) to evaluate for a relationship between exhibit recognition and subsequent popularity, and (3) to quantify and compare the electronic education exhibit likes at the 2013 and the 2014 meetings. Exhibit likes were recorded at the midpoints and ends of both meetings. Data analyses were performed by means of one-way analysis of variance and chi-square tests. There were similar numbers of electronic education exhibits at the 2013 (1856) and 2014 (1793) meetings with no significant difference between meeting years in the number of exhibits chosen for awards (423 vs. 404, P = 0.88) or for RadioGraphics solicitation (190 vs. 169, P = 0.46). In both meeting years, there were statistically significant associations between initial and overall exhibit popularity and exhibit recognition, as well as between exhibit recognition and subsequent popularity. A 152% increase in total likes recorded was observed at the 2014 meeting as compared to the 2013 meeting (11074 vs. 4391, P < 0.0001). Popular exhibits were significantly more likely to receive awards and RadioGraphics invitations. Receiving an award or RadioGraphics invitation was associated with subsequent increased exhibit popularity. Significantly more likes were recorded at the 2014 Radiological Society of North America meeting than at the 2013 meeting. Copyright © 2015 The Association of University Radiologists. Published by Elsevier Inc. All rights reserved.

3D Printed Silicones with Shape Memory

DOE PAGES

Wu, Amanda S.; Small IV, Ward; Bryson, Taylor M.; ...

2017-07-05

Direct ink writing enables the layer-by-layer manufacture of ordered, porous structures whose mechanical behavior is driven by architecture and material properties. Here, we incorporate two different gas filled microsphere pore formers to evaluate the effect of shell stiffness and T g on compressive behavior and compression set in siloxane matrix printed structures. The lower T g microsphere structures exhibit substantial compression set when heated near and above T g, with full structural recovery upon reheating without constraint. By contrast, the higher T g microsphere structures exhibit reduced compression set with no recovery upon reheating. Aside from their role in tuningmore » the mechanical behavior of direct ink write structures, polymer microspheres are good candidates for shape memory elastomers requiring structural complexity, with potential applications toward tandem shape memory polymers.« less

3D Printed Silicones with Shape Memory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Amanda S.; Small IV, Ward; Bryson, Taylor M.

Direct ink writing enables the layer-by-layer manufacture of ordered, porous structures whose mechanical behavior is driven by architecture and material properties. Here, we incorporate two different gas filled microsphere pore formers to evaluate the effect of shell stiffness and T g on compressive behavior and compression set in siloxane matrix printed structures. The lower T g microsphere structures exhibit substantial compression set when heated near and above T g, with full structural recovery upon reheating without constraint. By contrast, the higher T g microsphere structures exhibit reduced compression set with no recovery upon reheating. Aside from their role in tuningmore » the mechanical behavior of direct ink write structures, polymer microspheres are good candidates for shape memory elastomers requiring structural complexity, with potential applications toward tandem shape memory polymers.« less

Meter scale variation in shrub dominance and soil moisture structure Arctic arthropod communities

PubMed Central

Hansen, Oskar Liset Pryds; Bowden, Joseph J.; Treier, Urs A.; Normand, Signe; Høye, Toke

2016-01-01

The Arctic is warming at twice the rate of the rest of the world. This impacts Arctic species both directly, through increased temperatures, and indirectly, through structural changes in their habitats. Species are expected to exhibit idiosyncratic responses to structural change, which calls for detailed investigations at the species and community level. Here, we investigate how arthropod assemblages of spiders and beetles respond to variation in habitat structure at small spatial scales. We sampled transitions in shrub dominance and soil moisture between three different habitats (fen, dwarf shrub heath, and tall shrub tundra) at three different sites along a fjord gradient in southwest Greenland, using yellow pitfall cups. We identified 2,547 individuals belonging to 47 species. We used species richness estimation, indicator species analysis and latent variable modeling to examine differences in arthropod community structure in response to habitat variation at local (within site) and regional scales (between sites). We estimated species responses to the environment by fitting species-specific generalized linear models with environmental covariates. Species assemblages were segregated at the habitat and site level. Each habitat hosted significant indicator species, and species richness and diversity were significantly lower in fen habitats. Assemblage patterns were significantly linked to changes in soil moisture and vegetation height, as well as geographic location. We show that meter-scale variation among habitats affects arthropod community structure, supporting the notion that the Arctic tundra is a heterogeneous environment. To gain sufficient insight into temporal biodiversity change, we require studies of species distributions detailing species habitat preferences. PMID:27478709

Structure of dehaloperoxidase B at 1.58 Å resolution and structural characterization of the AB dimer from Amphitrite ornata

DOE Office of Scientific and Technical Information (OSTI.GOV)

Serrano, Vesna de; D’Antonio, Jennifer; Franzen, Stefan

2010-05-01

The crystal structure of dehaloperoxidase (DHP) isoenzyme B from the terebellid polychaete A. ornata, which exhibits both hemoglobin and peroxidase functions, has been determined at 1.58 Å resolution. As members of the globin superfamily, dehaloperoxidase (DHP) isoenzymes A and B from the marine annelid Amphitrite ornata possess hemoglobin function, but they also exhibit a biologically relevant peroxidase activity that is capable of converting 2,4,6-trihalophenols to the corresponding 2,6-dihaloquinones in the presence of hydrogen peroxide. Here, a comprehensive structural study of recombinant DHP B, both by itself and cocrystallized with isoenzyme A, using X-ray diffraction is presented. The structure of DHPmore » B refined to 1.58 Å resolution exhibits the same distal histidine (His55) conformational flexibility as that observed in isoenzyme A, as well as additional changes to the distal and proximal hydrogen-bonding networks. Furthermore, preliminary characterization of the DHP AB heterodimer is presented, which exhibits differences in the AB interface that are not observed in the A-only or B-only homodimers. These structural investigations of DHP B provide insights that may relate to the mechanistic details of the H{sub 2}O{sub 2}-dependent oxidative dehalogenation reaction catalyzed by dehaloperoxidase, present a clearer description of the function of specific residues in DHP at the molecular level and lead to a better understanding of the paradigms of globin structure–function relationships.« less

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

NASA Astrophysics Data System (ADS)

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.

75 FR 3781 - Culturally Significant Objects Imported for Exhibition Determinations: “The Mourners: Tomb...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-22

... abroad for temporary exhibition within the United States, are of cultural significance. The objects are... exhibition or display of the exhibit objects at the Metropolitan Museum of Art, New York, NY, from on or about March 1, 2010, until on or about May 23, 2010; the St. Louis Art Museum, St. Louis, MO, from on or...

75 FR 47337 - Culturally Significant Objects Imported for Exhibition Determinations: “German Impressionist...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-05

... DEPARTMENT OF STATE [Public Notice 7080] Culturally Significant Objects Imported for Exhibition Determinations: ``German Impressionist Landscape Painting: Liebermann-- Corinth--Slevogt'' SUMMARY: Notice is... Impressionist Landscape Painting: Liebermann--Corinth--Slevogt,'' imported from abroad for temporary exhibition...

Application of the Aqueous Porous Pathway Model to Quantify the Effect of Sodium Lauryl Sulfate on Ultrasound-Induced Skin Structural Perturbation

PubMed Central

Polat, Baris E.; Seto, Jennifer E.; Blankschtein, Daniel; Langer, Robert

2011-01-01

This study investigated the effect of sodium lauryl sulfate (SLS) on skin structural perturbation when utilized simultaneously with low-frequency sonophoresis (LFS). Pig full-thickness skin (FTS) and pig split-thickness skin (STS) treated with LFS/SLS and LFS were analyzed in the context of the aqueous porous pathway model to quantify skin perturbation through changes in skin pore radius and porosity-to-tortuosity ratio (ε/τ). In addition, skin treatment times required to attain specific levels of skin electrical resistivity were analyzed to draw conclusions about the effect of SLS on reproducibility and predictability of skin perturbation. We found that LFS/SLS-treated FTS, LFS/SLS-treated STS, and LFS-treated FTS exhibited similar skin perturbation. However, LFS-treated STS exhibited significantly higher skin perturbation, suggesting greater structural changes to the less robust STS induced by the purely physical enhancement mechanism of LFS. Evaluation of ε/τ values revealed that LFS/SLS-treated FTS and STS have similar transport pathways, while LFS-treated FTS and STS have lower ε/τ values. In addition, LFS/SLS treatment times were much shorter than LFS treatment times for both FTS and STS. Moreover, the simultaneous use of SLS and LFS not only results in synergistic enhancement, as reflected in the shorter skin treatment times, but also in more predictable and reproducible skin perturbation. PMID:20963845

An approach to architecture 3D scaffold with interconnective microchannel networks inducing angiogenesis for tissue engineering.

PubMed

Sun, Jiaoxia; Wang, Yuanliang; Qian, Zhiyong; Hu, Chenbo

2011-11-01

The angiogenesis of 3D scaffold is one of the major current limitations in clinical practice tissue engineering. The new strategy of construction 3D scaffold with microchannel circulation network may improve angiogenesis. In this study, 3D poly(D: ,L: -lactic acid) scaffolds with controllable microchannel structures were fabricated using sacrificial sugar structures. Melt drawing sugar-fiber network produced by a modified filament spiral winding method was used to form the microchannel with adjustable diameters and porosity. This fabrication process was rapid, inexpensive, and highly scalable. The porosity, microchannel diameter, interconnectivity and surface topographies of the scaffold were characterized by scanning electron microscopy. Mechanical properties were evaluated by compression tests. The mean porosity values of the scaffolds were in the 65-78% and the scaffold exhibited microchannel structure with diameter in the 100-200 μm range. The results showed that the scaffolds exhibited an adequate porosity, interconnective microchannel network, and mechanical properties. The cell culture studies with endothelial cells (ECs) demonstrated that the scaffold allowed cells to proliferate and penetrate into the volume of the entire scaffold. Overall, these findings suggest that the fabrication process offers significant advantages and flexibility in generating a variety of non-cytotoxic tissue engineering scaffolds with controllable distributions of porosity and physical properties that could provide the necessary physical cues for ECs and further improve angiogenesis for tissue engineering.

Synthesis and structure-activity relationships of N-benzyl phenethylamines as 5-HT2A/2C agonists.

PubMed

Hansen, Martin; Phonekeo, Karina; Paine, James S; Leth-Petersen, Sebastian; Begtrup, Mikael; Bräuner-Osborne, Hans; Kristensen, Jesper L

2014-03-19

N-Benzyl substitution of 5-HT2A receptor agonists of the phenethylamine structural class of psychedelics (such as 4-bromo-2,5-dimethoxyphenethylamine, often referred to as 2C-B) confer a significant increase in binding affinity as well as functional activity of the receptor. We have prepared a series of 48 compounds with structural variations in both the phenethylamine and N-benzyl part of the molecule to determine the effects on receptor binding affinity and functional activity at 5-HT2A and 5-HT2C receptors. The compounds generally had high affinity for the 5-HT2A receptor with 8b having the highest affinity at 0.29 nM but with several other compounds also exhibiting subnanomolar binding affinities. The functional activity of the compounds was distributed over a wider range with 1b being the most potent at 0.074 nM. Most of the compounds exhibited low to moderate selectivity (1- to 40-fold) for the 5-HT2A receptor in the binding assays, although one compound 6b showed an impressive 100-fold selectivity for the 5-HT2A receptor. In the functional assay, selectivity was generally higher with 1b being more than 400-fold selective for the 5-HT2A receptor.

Antimicrobial Action and Cell Agglutination by the Eosinophil Cationic Protein Are Modulated by the Cell Wall Lipopolysaccharide Structure

PubMed Central

Pulido, David; Moussaoui, Mohammed; Andreu, David; Nogués, M. Victòria

2012-01-01

Antimicrobial proteins and peptides (AMPs) are essential effectors of innate immunity, acting as a first line of defense against bacterial infections. Many AMPs exhibit high affinity for cell wall structures such as lipopolysaccharide (LPS), a potent endotoxin able to induce sepsis. Hence, understanding how AMPs can interact with and neutralize LPS endotoxin is of special relevance for human health. Eosinophil cationic protein (ECP) is an eosinophil secreted protein with high activity against both Gram-negative and Gram-positive bacteria. ECP has a remarkable affinity for LPS and a distinctive agglutinating activity. By using a battery of LPS-truncated E. coli mutant strains, we demonstrate that the polysaccharide moiety of LPS is essential for ECP-mediated bacterial agglutination, thereby modulating its antimicrobial action. The mechanism of action of ECP at the bacterial surface is drastically affected by the LPS structure and in particular by its polysaccharide moiety. We have also analyzed an N-terminal fragment that retains the whole protein activity and displays similar cell agglutination behavior. Conversely, a fragment with further minimization of the antimicrobial domain, though retaining the antimicrobial capacity, significantly loses its agglutinating activity, exhibiting a different mechanism of action which is not dependent on the LPS composition. The results highlight the correlation between the protein's antimicrobial activity and its ability to interact with the LPS outer layer and promote bacterial agglutination. PMID:22330910

Antimicrobial action and cell agglutination by the eosinophil cationic protein are modulated by the cell wall lipopolysaccharide structure.

PubMed

Pulido, David; Moussaoui, Mohammed; Andreu, David; Nogués, M Victòria; Torrent, Marc; Boix, Ester

2012-05-01

Antimicrobial proteins and peptides (AMPs) are essential effectors of innate immunity, acting as a first line of defense against bacterial infections. Many AMPs exhibit high affinity for cell wall structures such as lipopolysaccharide (LPS), a potent endotoxin able to induce sepsis. Hence, understanding how AMPs can interact with and neutralize LPS endotoxin is of special relevance for human health. Eosinophil cationic protein (ECP) is an eosinophil secreted protein with high activity against both Gram-negative and Gram-positive bacteria. ECP has a remarkable affinity for LPS and a distinctive agglutinating activity. By using a battery of LPS-truncated E. coli mutant strains, we demonstrate that the polysaccharide moiety of LPS is essential for ECP-mediated bacterial agglutination, thereby modulating its antimicrobial action. The mechanism of action of ECP at the bacterial surface is drastically affected by the LPS structure and in particular by its polysaccharide moiety. We have also analyzed an N-terminal fragment that retains the whole protein activity and displays similar cell agglutination behavior. Conversely, a fragment with further minimization of the antimicrobial domain, though retaining the antimicrobial capacity, significantly loses its agglutinating activity, exhibiting a different mechanism of action which is not dependent on the LPS composition. The results highlight the correlation between the protein's antimicrobial activity and its ability to interact with the LPS outer layer and promote bacterial agglutination.

Impact of structure and morphology of nanostructured ceria coating on AISI 304 oxidation kinetics

NASA Astrophysics Data System (ADS)

Aadhavan, R.; Suresh Babu, K.

2017-07-01

Nanostructured ceria-based coatings are shown to be protective against high-temperature oxidation of AISI 304 due to the dynamics of oxidation state and associated defects. However, the processing parameters of deposition have a strong influence in determining the structural and morphological aspects of ceria. The present work focuses on the effect of variation in substrate temperature (50-300 °C) and deposition rate (0.1-50 Å/s) of ceria in electron beam physical vapour evaporation method and correlates the changes in structure and morphology to high-temperature oxidation protection. Unlike deposition rate, substrate temperature exhibited a profound influence on crystallite size (7-18 nm) and oxygen vacancy concentration. Upon isothermal oxidation at 1243 K for 24 h, bare AISI 304 exhibited a linear mass gain with a rate constant of 3.0 ± 0.03 × 10-3 kg2 m-4 s-1 while ceria coating lowered the kinetics by 3-4 orders. Though the thickness of the coating was kept constant at 2 μm, higher deposition rate offered one order lower protection due to the porous nature of the coating. Variation in the substrate temperature modulated the porosity as well as oxygen vacancy concentration and displayed the best protection for coatings deposited at moderate substrate temperature. The present work demonstrates the significance of selecting appropriate processing parameters to obtain the required morphology for efficient high-temperature oxidation protection.

Molecular Basis for Cyclooxygenase Inhibition by the Non-steroidal Anti-inflammatory Drug Naproxen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duggan, Kelsey C.; Walters, Matthew J.; Musee, Joel

Naproxen ((S)-6-methoxy-{alpha}-methyl-2-naphthaleneacetic acid) is a powerful non-selective non-steroidal anti-inflammatory drug that is extensively used as a prescription and over-the-counter medication. Naproxen exhibits gastrointestinal toxicity, but its cardiovascular toxicity may be reduced compared with other drugs in its class. Despite the fact that naproxen has been marketed for many years, the molecular basis of its interaction with cyclooxygenase (COX) enzymes is unknown. We performed a detailed study of naproxen-COX-2 interactions using site-directed mutagenesis, structure-activity analysis, and x-ray crystallography. The results indicate that each of the pendant groups of the naphthyl scaffold are essential for COX inhibition, and only minimal substitutions aremore » tolerated. Mutation of Trp-387 to Phe significantly reduced inhibition by naproxen, a result that appears unique to this inhibitor. Substitution of S or CH2 for the O atom of the p-methoxy group yielded analogs that were not affected by the W387F substitution and that exhibited increased COX-2 selectivity relative to naproxen. Crystallization and x-ray analysis yielded structures of COX-2 complexed to naproxen and its methylthio analog at 1.7 and 2.3 {angstrom} resolution, respectively. The combination of mutagenesis, structure analysis, and x-ray crystallography provided comprehensive information on the unique interactions responsible for naproxen binding to COX-2.« less

Comparison of the acute ultraviolet photoresponse in congenic albino hairless C57BL/6J mice relative to outbred SKH1 hairless mice

PubMed Central

Konger, Raymond L.; Derr-Yellin, Ethel; Hojati, Delaram; Lutz, Cathleen; Sundberg, John P.

2016-01-01

Hairless albino Crl:SKH1-Hrhr mice are commonly utilized for studies in which hair or pigmentation would introduce an impediment to observational studies. Being an outbred strain, the SKH1 model suffers from key limitations that are not seen with congenic mouse strains. Inbred and congenic C57BL/6J mice are commonly utilized for modified genetic mouse models. We compare the acute UV-induced photoresponse between outbred SKH1 mice and an immune competent, hairless, albino C57BL/6J congenic mouse line [B6.Cg-Tyrc-2J Hrhr/J]. Histologically, B6.Cg-Tyrc-2J Hrhr/J skin is indistinguishable from that of SKH1 mice. The skin of both SKH1 and B6.Cg-Tyrc-2J Hrhr/J mice exhibited a reduction in hypodermal adipose tissue, the presence of utricles and dermal cystic structures, the presence of dermal granulomas, and epidermal thickening. In response to a single 1500 J/m2 UVB dose, the edema and apoptotic response was equivalent in both mouse strains. However, B6.Cg-Tyrc-2J Hrhr/J mice exhibited a more robust delayed sunburn reaction, with an increase in epidermal erosion, scab formation, and myeloperoxidase activity relative to SKH1 mice. Compared with SKH1 mice, B6.Cg-Tyrc-2J Hrhr/J also exhibited an aberrant proliferative response to this single UV exposure. Epidermal Ki67 immunopositivity was significantly suppressed in B6.Cg-Tyrc-2J Hrhr/J mice at 24 hours post-UV. A smaller non-significant reduction in Ki67 labeling was observed in SKH1 mice. Finally, at 72 hours post-UV, SKH1 mice, but not B6.Cg-Tyrc-2J Hrhr/J mice, exhibited a significant increase in Ki67 immunolabeling relative to non-irradiated controls. Thus, B6.Cg-Tyrc-2J Hrhr/J mice are suitable for photobiology experiments. PMID:27095432

Laccase Down-Regulation Causes Alterations in Phenolic Metabolism and Cell Wall Structure in Poplar1

PubMed Central

Ranocha, Philippe; Chabannes, Matthieu; Chamayou, Simon; Danoun, Saïda; Jauneau, Alain; Boudet, Alain-M.; Goffner, Deborah

2002-01-01

Laccases are encoded by multigene families in plants. Previously, we reported the cloning and characterization of five divergent laccase genes from poplar (Populus trichocarpa) xylem. To investigate the role of individual laccase genes in plant development, and more particularly in lignification, three independent populations of antisense poplar plants, lac3AS, lac90AS, and lac110AS with significantly reduced levels of laccase expression were generated. A repression of laccase gene expression had no effect on overall growth and development. Moreover, neither lignin content nor composition was significantly altered as a result of laccase suppression. However, one of the transgenic populations, lac3AS, exhibited a 2- to 3-fold increase in total soluble phenolic content. As indicated by toluidine blue staining, these phenolics preferentially accumulate in xylem ray parenchyma cells. In addition, light and electron microscopic observations of lac3AS stems indicated that lac3 gene suppression led to a dramatic alteration of xylem fiber cell walls. Individual fiber cells were severely deformed, exhibiting modifications in fluorescence emission at the primary wall/middle lamella region and frequent sites of cell wall detachment. Although a direct correlation between laccase gene expression and lignification could not be assigned, we show that the gene product of lac3 is essential for normal cell wall structure and integrity in xylem fibers. lac3AS plants provide a unique opportunity to explore laccase function in plants. PMID:12011346

Neuroanatomical Characterization of Child Offspring of Bipolar Parents

PubMed Central

Singh, Manpreet K.; DelBello, Melissa P.; Adler, Caleb M.; Stanford, Kevin E.; Strakowski, Stephen M.

2012-01-01

Objectives To examine structural differences in selected anterior limbic brain regions between at-risk children of parents with bipolar I disorder and children with healthy parents. We hypothesized that at-risk children would exhibit abnormalities in brain regions that are involved in mood regulation. Methods Children (8–12 years old) of parents with bipolar I disorder (“at-risk”, AR, N=21) and of parents without any DSM-IV Axis I disorder (health controls, HC, N=24) were evaluated using diagnosticassessments and brain magnetic resonance imaging (MRI). Morphometric analyses were used to examine group differences in the prefrontal cortical, thalamic, striatal, and amygdalar volumes. Results Nine (43%) of the AR children met DSM-IV-TR criteria for a non-bipolar mood disorder at the time of assessment. AR and HC children did not demonstrate statistically significant differences across regions of interest [Wilks Lambda = 0.86, F(4,39)=1.64, p=0.18; effect size, (f)=0.19]. Post-hoc analyses of covariance showed the largest relative effect size was contributed by the prefrontal cortex [(f)=0.26]. Conclusions 8 to 12 year old children with a familial risk for mania do not exhibit any statistically significant volumetric differences in the prefrontal cortex, thalamus, striatum, or amygdala as compared to age matched children of parents without any psychopathology. Longitudinal studies examining whether structural changes over time may be associated with vulnerability for developing subsequent bipolar disorder are needed to clarify the underlying pathophysiology of this disorder. PMID:18356766

Facile green fabrication of nanostructure ZnO plates, bullets, flower, prismatic tip, closed pine cone: Their antibacterial, antioxidant, photoluminescent and photocatalytic properties.

PubMed

Madan, H R; Sharma, S C; Udayabhanu; Suresh, D; Vidya, Y S; Nagabhushana, H; Rajanaik, H; Anantharaju, K S; Prashantha, S C; Sadananda Maiya, P

2016-01-05

Green synthesis of multifunctional Zinc oxide nanoparticles (NPs) with a variety of morphologies were achieved by low temperature solution combustion route employing neem (Azadirachta indica) extract as fuel. The nanoparticles were characterized by PXRD, FTIR, XPS, Raman and UV-Visible spectroscopic studies. The Morphologies were studied by SEM and TEM analysis. The NPs were subjected for photoluminescence, photocatalytic, antibacterial and antioxidant activity studies. PXRD pattern confirmed the hexagonal wurtzite structure of the product. SEM images indicated the transformation of mushroom like hexagonal disks to bullets, buds, cones, bundles and closed pine cone structured NPs with increase in the concentration of neem extract in reaction mixture. The NPs exhibited prominent green emission due to the presence of intrinsic defect centers. The as-formed bullet shaped ZnO with 4ml of neem extract was found to decolorize Methylene blue (MB) under Sunlight and UV light irradiation. The antibacterial studies indicated that ZnO NPs of concentration 500, 750 and 1000μg resulted in significant antibacterial activity on Klebsiella aerogenes and Staphylococcus aureus but not against Escherichia coli and Pseudomonas aeruginosa in agar well diffusion method. Further, ZnO NPs exhibited significant antioxidant activity against scavenging DPPH free radicals. The current investigation demonstrated green engineering method for the synthesis of multifunctional ZnO NPs with interesting morphologies using neem extract. Copyright © 2015 Elsevier B.V. All rights reserved.

Discontinuous Inter-Granular Separations (DIGS) in the Gas Nitride Layer of ISS Race Rings

NASA Technical Reports Server (NTRS)

Figert, John; Dasgupta, Rajib; Martinez, James

2010-01-01

The starboard solar alpha rotary joint (SARJ) race ring on the International space station (ISS) failed due to severe spalling of the outer diameter, 45 degree (outer canted) nitrided surface. Subsequent analysis at NASA-KSC revealed that almost all of the debris generated due to the failure was nitrided 15-5 stainless steel. Subsequent analysis of the nitride control coupons (NCC) at NASA-JSC revealed the presence of discontinuous inter-granular separations (DIGS) in the gas nitride layer. These DIGS were present in the inter-granular networking located in the top 2 mils of the nitride layer. The manufacturer's specification requires the maximum white structure to be 0.0003 inches and intergranular networking below the allowable white structure depth to be cause for rejection; a requirement that the NCCs did not meet. Subsequent testing and analysis revealed that lower DIGS content significantly lowered the probability of nitride spalling in simulated, dry condition runs. One batch of nitride samples with DIGS content similar to the port SARJ (did not fail on orbit) which exhibited almost no nitride spalling after being run on one test rig. Another batch of nitride samples with DIGS content levels similar to the starboard SARJ exhibited significant nitride spalling on the same test rig with the same load under dry conditions. Although DIGS were not the root cause of starboard race ring failure, testing indicates that increased DIGS reduced the robustness of the gas nitride layer under dry operating conditions.

Long-range dipolar order and dispersion forces in polar liquids

NASA Astrophysics Data System (ADS)

Besford, Quinn Alexander; Christofferson, Andrew Joseph; Liu, Maoyuan; Yarovsky, Irene

2017-11-01

Complex solvation phenomena, such as specific ion effects, occur in polar liquids. Interpretation of these effects in terms of structure and dispersion forces will lead to a greater understanding of solvation. Herein, using molecular dynamics, we probe the structure of polar liquids through specific dipolar pair correlation functions that contribute to the potential of mean force that is "felt" between thermally rotating dipole moments. It is shown that unique dipolar order exists at separations at least up to 20 Å for all liquids studied. When the structural order is compared with a dipolar dispersion force that arises from local co-operative enhancement of dipole moments, a strong agreement is found. Lifshitz theory of dispersion forces was compared with the structural order, where the theory is validated for all liquids that do not have significant local dipole correlations. For liquids that do have significant local dipole correlations, specifically liquid water, Lifshitz theory underestimates the dispersion force by a factor of 5-10, demonstrating that the force that leads to the increased structure in liquid water is missed by Lifshitz theory of van der Waals forces. We apply similar correlation functions to an ionic aqueous system, where long-range order between water's dipole moment and a single chloride ion is found to exist at 20 Å of separation, revealing a long-range perturbation of water's structure by an ion. Furthermore, we found that waters within the 1st, 2nd, and 3rd solvation shells of a chloride ion exhibit significantly enhanced dipolar interactions, particularly with waters at larger distances of separation. Our results provide a link between structures, dispersion forces, and specific ion effects, which may lead to a more robust understanding of solvation.

The VMC Survey. XXVII. Young Stellar Structures in the LMC’s Bar Star-forming Complex

NASA Astrophysics Data System (ADS)

Sun, Ning-Chen; de Grijs, Richard; Subramanian, Smitha; Bekki, Kenji; Bell, Cameron P. M.; Cioni, Maria-Rosa L.; Ivanov, Valentin D.; Marconi, Marcella; Oliveira, Joana M.; Piatti, Andrés E.; Ripepi, Vincenzo; Rubele, Stefano; Tatton, Ben L.; van Loon, Jacco Th.

2017-11-01

Star formation is a hierarchical process, forming young stellar structures of star clusters, associations, and complexes over a wide range of scales. The star-forming complex in the bar region of the Large Magellanic Cloud is investigated with upper main-sequence stars observed by the VISTA Survey of the Magellanic Clouds. The upper main-sequence stars exhibit highly nonuniform distributions. Young stellar structures inside the complex are identified from the stellar density map as density enhancements of different significance levels. We find that these structures are hierarchically organized such that larger, lower-density structures contain one or several smaller, higher-density ones. They follow power-law size and mass distributions, as well as a lognormal surface density distribution. All these results support a scenario of hierarchical star formation regulated by turbulence. The temporal evolution of young stellar structures is explored by using subsamples of upper main-sequence stars with different magnitude and age ranges. While the youngest subsample, with a median age of log(τ/yr) = 7.2, contains the most substructure, progressively older ones are less and less substructured. The oldest subsample, with a median age of log(τ/yr) = 8.0, is almost indistinguishable from a uniform distribution on spatial scales of 30-300 pc, suggesting that the young stellar structures are completely dispersed on a timescale of ˜100 Myr. These results are consistent with the characteristics of the 30 Doradus complex and the entire Large Magellanic Cloud, suggesting no significant environmental effects. We further point out that the fractal dimension may be method dependent for stellar samples with significant age spreads.

Structural and functional connectivity of the precuneus and thalamus to the default mode network.

PubMed

Cunningham, Samantha I; Tomasi, Dardo; Volkow, Nora D

2017-02-01

Neuroimaging studies have identified functional interactions between the thalamus, precuneus, and default mode network (DMN) in studies of consciousness. However, less is known about the structural connectivity of the precuneus and thalamus to regions within the DMN. We used diffusion tensor imaging (DTI) to parcellate the precuneus and thalamus based on their probabilistic white matter connectivity to each other and DMN regions of interest (ROIs) in 37 healthy subjects from the Human Connectome Database. We further assessed resting-state functional connectivity (RSFC) among the precuneus, thalamus, and DMN ROIs. The precuneus was found to have the greatest structural connectivity with the thalamus, where connection fractional anisotropy (FA) increased with age. The precuneus also showed significant structural connectivity to the hippocampus and middle pre-frontal cortex, but minimal connectivity to the angular gyrus and midcingulate cortex. In contrast, the precuneus exhibited significant RSFC with the thalamus and the strongest RSFC with the AG. Significant symmetrical structural connectivity was found between the thalamus and hippocampus, mPFC, sFG, and precuneus that followed known thalamocortical pathways, while thalamic RSFC was strongest with the precuneus and hippocampus. Overall, these findings reveal high levels of structural and functional connectivity linking the thalamus, precuneus, and DMN. Differences between structural and functional connectivity (such as between the precuneus and AG) may be interpreted to reflect dynamic shifts in RSFC for cortical hub-regions involved with consciousness, but could also reflect the limitations of DTI to detect superficial white matter tracts that connect cortico-cortical regions. Hum Brain Mapp 38:938-956, 2017. © 2016 Wiley Periodicals, Inc. Published 2016. This article is a U.S. Government work and is in the public domain in the USA.

Detection of ethanol in alcoholic beverages or vapor phase using fluorescent molecules embedded in a nanofibrous polymer.

PubMed

Akamatsu, Masaaki; Mori, Taizo; Okamoto, Ken; Komatsu, Hirokazu; Kumagai, Ken; Shiratori, Seimei; Yamamura, Masaki; Nabeshima, Tatsuya; Sakai, Hideki; Abe, Masahiko; Hill, Jonathan P; Ariga, Katsuhiko

2015-03-25

An alcohol sensor was developed using the solid-state fluorescence emission of terphenyl-ol (TPhOH) derivatives. Admixtures of TPhOH and sodium carbonate exhibited bright sky-blue fluorescence in the solid state upon addition of small quantities of ethanol. A series of terphenol derivatives was synthesized, and the effects of solvent polarities and the structures of these π-conjugated systems on their fluorescence were systematically investigated by using fluorescence spectroscopy. In particular, π-extended TPhOHs and TPhOHs containing electron-withdrawing groups exhibited significant solvatochromism, and fluorescence colors varied from blue to red. Detection of ethanol contents in alcohol beverages (detection limit ∼ 5 v/v %) was demonstrated using different TPhOHs revealing the effect of molecular structure on sensing properties. Ethanol contents in alcoholic beverages could be estimated from the intensity of the fluorescence elicited from the TPhOHs. Moreover, when terphenol and Na2CO3 were combined with a water-absorbent polymer, ethanol could be detected at lower concentrations. Detection of ethanol vapor (8 v/v % in air) was also accomplished using a nanofibrous polymer scaffold as the immobilized sensing film.

Modeling a flexible representation machinery of human concept learning.

PubMed

Matsuka, Toshihiko; Sakamoto, Yasuaki; Chouchourelou, Arieta

2008-01-01

It is widely acknowledged that categorically organized abstract knowledge plays a significant role in high-order human cognition. Yet, there are many unknown issues about the nature of how categories are internally represented in our mind. Traditionally, it has been considered that there is a single innate internal representation system for categorical knowledge, such as Exemplars, Prototypes, or Rules. However, results of recent empirical and computational studies collectively suggest that the human internal representation system is apparently capable of exhibiting behaviors consistent with various types of internal representation schemes. We, then, hypothesized that humans' representational system as a dynamic mechanism, capable of selecting a representation scheme that meets situational characteristics, including complexities of category structure. The present paper introduces a framework for a cognitive model that integrates robust and flexible internal representation machinery. Three simulation studies were conducted. The results showed that SUPERSET, our new model, successfully exhibited cognitive behaviors that are consistent with three main theories of the human internal representation system. Furthermore, a simulation study on social cognitive behaviors showed that the model was capable of acquiring knowledge with high commonality, even for a category structure with numerous valid conceptualizations.

The interface microstructure, mechanical properties and corrosion resistance of dissimilar joints during multipass laser welding for nuclear power plants

NASA Astrophysics Data System (ADS)

Li, Gang; Lu, Xiaofeng; Zhu, Xiaolei; Huang, Jian; Liu, Luwei; Wu, Yixiong

2018-05-01

This study presents the interface microstructure, mechanical properties and corrosion resistance of dissimilar joints between Inconel 52M overlays and 316L stainless steel during multipass laser welding for nuclear power plants. The results indicate that the microstructure at the interface beside 316L stainless steel consists of cellular with the width of 30-40 μm, which also exhibits numerous Cr and Mo-rich precipitates like flocculent structure and in chains along grain boundaries as a mixed chemical solution for etching. Many dendritic structure with local melting characteristics and Nb-rich precipitates are exhibited at the interface beside Inconel 52M overlays. Such Nb-rich precipitates at the interface beside Inconel 52M overlays deteriorate the tensile strength and toughness of dissimilar joints at room temperature. The tensile strength of 316L stainless steel at 350 °C significantly decreases with the result that dissimilar joints are fractured in 316L stainless steel. The correlation between corrosion behavior and microstructure of weld metals is also discussed. The difference in high corrosion potential between Nb-rich precipitates and the matrix could result in establishing effective galvanic couples, and thus accelerating the corrosion of weld metals.

Design, synthesis and bioevaluation of novel umbelliferone analogues as potential mushroom tyrosinase inhibitors.

PubMed

Ashraf, Zaman; Rafiq, Muhammad; Seo, Sung-Yum; Babar, Mustafeez Mujtaba; Zaidi, Najam-Us-Sahar Sadaf

2015-12-01

A series of umbelliferone analogues were synthesized and their inhibitory effects on the DPPH and mushroom tyrosinase were evaluated. The results showed that some of the synthesized compounds exhibited significant mushroom tyrosinase inhibitory activities. Especially, 2-oxo-2-[(2-oxo-2H-chromen-7-yl)oxy]ethyl-2,4-dihydroxybenzoate (4e) bearing 2,4-dihydroxy substituted phenyl ring exhibited the most potent tyrosinase inhibitory activity with IC50 value 8.96 µM and IC50 value of kojic acid is 16.69. The inhibition mechanism analyzed by Lineweaver-Burk plots revealed that the type of inhibition of compound 4e on tyrosinase was non-competitive. The docking study against tyrosinase enzyme was also performed to determine the binding affinity of the compounds. The compounds 4c and 4e showed the highest binding affinity with active binding site of tyrosinase. The initial structure activity relationships (SARs) analysis suggested that further development of such compounds might be of interest. The statistics of our results endorses that compounds 4c and 4e may serve as a structural template for the design and development of novel tyrosinase inhibitors.

Coupled Effect of Elevated Temperature and Cooling Conditions on the Properties of Ground Clay Brick Mortars

NASA Astrophysics Data System (ADS)

Ali Abd El Aziz, Magdy; Abdelaleem, Salh; Heikal, Mohamed

2013-12-01

When a concrete structure is exposed to fire and cooling, some deterioration in its chemical resistivity and mechanical properties takes place. This deterioration can reach a level at which the structure may have to be thoroughly renovated or completely replaced. In this investigation, four types of cement mortars, ground clay bricks (GCB)/sand namely 0/3, 1/2, 2/1 and 3/0, were used. Three different cement contents were used: 350, 400 and 450 kg/m3. All the mortars were prepared and cured in tap water for 3 months and then kept in laboratory atmospheric conditions up to 6 months. The specimens were subjected to elevated temperatures up to 700°C for 3h and then cooled by three different conditions: water, furnace, and air cooling. The results show that all the mortars subjected to fire, irrespective of cooling mode, suffered a significant reduction in compressive strength. However, the mortars cooled in air exhibited a relativity higher reduction in compressive strength rather than those water or furnace cooled. The mortars containing GCB/sand (3/0) and GCB/sand (1/2) exhibited a relatively higher thermal stability than the others.

Structure dependent resistivity and dielectric characteristics of tantalum oxynitride thin films produced by magnetron sputtering

NASA Astrophysics Data System (ADS)

Cristea, D.; Crisan, A.; Cretu, N.; Borges, J.; Lopes, C.; Cunha, L.; Ion, V.; Dinescu, M.; Barradas, N. P.; Alves, E.; Apreutesei, M.; Munteanu, D.

2015-11-01

The main purpose of this work is to present and to interpret the change of electrical properties of TaxNyOz thin films, produced by DC reactive magnetron sputtering. Some parameters were varied during deposition: the flow of the reactive gases mixture (N2 and O2, with a constant concentration ratio of 17:3); the substrate voltage bias (grounded, -50 V or -100 V) and the substrate (glass, (1 0 0) Si or high speed steel). The obtained films exhibit significant differences. The variation of the deposition parameters induces variations of the composition, microstructure and morphology. These differences cause variation of the electrical resistivity essentially correlated with the composition and structural changes. The gradual decrease of the Ta concentration in the films induces amorphization and causes a raise of the resistivity. The dielectric characteristics of some of the high resistance TaxNyOz films were obtained in the samples with a capacitor-like design (deposited onto high speed steel, with gold pads deposited on the dielectric TaxNyOz films). Some of these films exhibited dielectric constant values higher than those reported for other tantalum based dielectric films.

Non-enzymatic glucose sensing properties of MoO3 nanorods: experimental and density functional theory investigations

NASA Astrophysics Data System (ADS)

Sharma, Maneesha; Gangan, Abhijeet; Chakraborty, Brahmananda; Sekhar Rout, Chandra

2017-11-01

We report the growth of monoclinic MoO3 nanorods by a simple and highly reproducible hydrothermal method. Structural and morphological studies provide significant insights about the phase and crystalline structure of the synthesized samples. Further, the non-enzymatic glucose sensing properties were investigated and the MoO3 nanorods exhibited a sensitivity of 15.4 µA µM-1 cm-2 in the 5-175 µM linear range. Also, a quick response time of 8 s towards glucose molecules was observed, exhibiting an excellent electrochemical activity. We have also performed density functional theory (DFT) simulations to qualitatively support our experimental observations by investigating the interactions and charge-transfer mechanism of glucose on MoO3. There is a strong interaction between glucose and the MoO3 surface due to charge transfer from a bonded O atom of glucose to a Mo atom of MoO3 resulting in a strong hybridization between the p orbital of O and d orbital of Mo. Thus, the MoO3 nanorod-based electrodes are found to be good glucose sensing materials for practical industrial applications.

Challenging the Metallothionein (MT) Gene of Biomphalaria glabrata: Unexpected Response Patterns Due to Cadmium Exposure and Temperature Stress.

PubMed

Niederwanger, Michael; Dvorak, Martin; Schnegg, Raimund; Pedrini-Martha, Veronika; Bacher, Katharina; Bidoli, Massimo; Dallinger, Reinhard

2017-08-11

Metallothioneins (MTs) are low-molecular-mass, cysteine-rich, metal binding proteins. In most animal species, they are involved in metal homeostasis and detoxification, and provide protection from oxidative stress. Gastropod MTs are highly diversified, exhibiting unique features and adaptations like metal specificity and multiplications of their metal binding domains. Here, we show that the MT gene of Biomphalaria glabrata , one of the largest MT genes identified so far, is composed in a unique way. The encoding for an MT protein has a three-domain structure and a C-terminal, Cys-rich extension. Using a bioinformatic approach involving structural and in silico analysis of putative transcription factor binding sites (TFBs), we found that this MT gene consists of five exons and four introns. It exhibits a regulatory promoter region containing three metal-responsive elements (MREs) and several TFBs with putative involvement in environmental stress response, and regulation of gene expression. Quantitative real-time polymerase chain reaction (qRT-PCR) data indicate that the MT gene is not inducible by cadmium (Cd) nor by temperature challenges (heat and cold), despite significant Cd uptake within the midgut gland and the high Cd tolerance of metal-exposed snails.

Challenging the Metallothionein (MT) Gene of Biomphalaria glabrata: Unexpected Response Patterns Due to Cadmium Exposure and Temperature Stress

PubMed Central

Dvorak, Martin; Schnegg, Raimund; Pedrini-Martha, Veronika; Bacher, Katharina; Bidoli, Massimo; Dallinger, Reinhard

2017-01-01

Metallothioneins (MTs) are low-molecular-mass, cysteine-rich, metal binding proteins. In most animal species, they are involved in metal homeostasis and detoxification, and provide protection from oxidative stress. Gastropod MTs are highly diversified, exhibiting unique features and adaptations like metal specificity and multiplications of their metal binding domains. Here, we show that the MT gene of Biomphalaria glabrata, one of the largest MT genes identified so far, is composed in a unique way. The encoding for an MT protein has a three-domain structure and a C-terminal, Cys-rich extension. Using a bioinformatic approach involving structural and in silico analysis of putative transcription factor binding sites (TFBs), we found that this MT gene consists of five exons and four introns. It exhibits a regulatory promoter region containing three metal-responsive elements (MREs) and several TFBs with putative involvement in environmental stress response, and regulation of gene expression. Quantitative real-time polymerase chain reaction (qRT-PCR) data indicate that the MT gene is not inducible by cadmium (Cd) nor by temperature challenges (heat and cold), despite significant Cd uptake within the midgut gland and the high Cd tolerance of metal-exposed snails. PMID:28800079

Characterisation and immunomodulating activities of exo-polysaccharides from submerged cultivation of Hypsizigus marmoreus.

PubMed

Zhang, Bing-Zhao; Inngjerdingen, Kari T; Zou, Yuan-Feng; Rise, Frode; Michaelsen, Terje E; Yan, Pei-Sheng; Paulsen, Berit S

2014-11-15

Exo-polysaccharides were purified and characterized from the fermentation broth of Hypsizigus marmoreus, a popular edible mushroom consumed in Asia. Among them, B-I-I and B-II-I exhibited potent complement fixating activity, meanwhile, B-N-I, B-I-I, B-II-I and B-II-II exhibited significant macrophage stimulating activity. Molecular weights of the four exo-polysaccharides were determined to be 6.3, 120, 150 and 11 kDa respectively. Molecular characterisation showed that B-N-I is basically an α-1→4 glucan, with branches on C6; B-I-I is a heavily branched α-mannan with 1→2 linked main chain. B-II-I and B-II-II, have a backbone of rhamno-galacturonan with 1→2 linked l-rhamnose interspersed with 1→4 linked galacturonic acid. Structure-activity relationship analysis indicated that monosaccharide compositions, molecular weight, certain structural units (rhamno-galacturonan type I and arabinogalactan type II) are the principal factors responsible for potent complement fixating and macrophage-stimulating activities. Their immunomodulating activities may, at least partly, explain the health benefits of the mushroom. Copyright © 2014 Elsevier Ltd. All rights reserved.

Adsorption and photocatalytic properties of transition metal Zinc(II) complex based on 5-(4-(tetrazol-5-yl)phenyl)isophthalic acid

NASA Astrophysics Data System (ADS)

Qiao, Yu; Ren, Shan-Shan; Liu, Li-Hui; Guan, Wei-Sheng; Li, Zhi-Min; Che, Guang-Bo; Liu, Chun-Bo; Wang, Yan-Yan; Wang, Qing-Wei; Li, Xiu-Ying; Zhu, En-Wei

2018-06-01

A new coordination polymeric zinc(II) complex, namely, [Zn2(L)(H2O)3]n·nNO3(1), (H3L = 5-(4-(tetrazol-5-yl)phenyl)isophthalic acid) has been synthesized under solvothermal conditions and structurally characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction analysis and powder X-ray diffraction. Complex 1 exhibits a three-dimensional structure with a Schläfli symbol of 44•69•82 topologies, constructed from two crystallographically independent five and six coordinated mode with metal center and connected H3L ligands. The complex has good thermal stability and excellent photoluminescent property. Furthermore, by comparing the photoluminescent and photocatalytic mutation results induced by interconversion of metal ions, we confirm that the properties mutation induced by metal ions is much controllable and obvious. In addition, the complex exhibits significantly enhanced photocatalytic activity for methylene blue (MB) under UV light irradiation (λ < 400 nm), and the degradation rate could reach 75% in 80 min. Meanwhile trapping experiments indicated that the •O2- and h+ are the main activated species.

Self-templated formation of uniform NiCo2O4 hollow spheres with complex interior structures for lithium-ion batteries and supercapacitors.

PubMed

Shen, Laifa; Yu, Le; Yu, Xin-Yao; Zhang, Xiaogang; Lou, Xiong Wen David

2015-02-02

Despite the significant advancement in preparing metal oxide hollow structures, most approaches rely on template-based multistep procedures for tailoring the interior structure. In this work, we develop a new generally applicable strategy toward the synthesis of mixed-metal-oxide complex hollow spheres. Starting with metal glycerate solid spheres, we show that subsequent thermal annealing in air leads to the formation of complex hollow spheres of the resulting metal oxide. We demonstrate the concept by synthesizing highly uniform NiCo2O4 hollow spheres with a complex interior structure. With the small primary building nanoparticles, high structural integrity, complex interior architectures, and enlarged surface area, these unique NiCo2O4 hollow spheres exhibit superior electrochemical performances as advanced electrode materials for both lithium-ion batteries and supercapacitors. This approach can be an efficient self-templated strategy for the preparation of mixed-metal-oxide hollow spheres with complex interior structures and functionalities. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.