Key experimental information on intermediate-range atomic structures in amorphous Ge2Sb2Te5 phase change material

NASA Astrophysics Data System (ADS)

Hosokawa, Shinya; Pilgrim, Wolf-Christian; Höhle, Astrid; Szubrin, Daniel; Boudet, Nathalie; Bérar, Jean-François; Maruyama, Kenji

2012-04-01

Laser-induced crystalline-amorphous phase change of Ge-Sb-Te alloys is the key mechanism enabling the fast and stable writing/erasing processes in rewritable optical storage devices, such as digital versatile disk (DVD) or blu-ray disk. Although the structural information in the amorphous phase is essential for clarifying this fast process, as well as long lasting stabilities of both the phases, experimental works were mostly limited to the short-range order by x ray absorption fine structure. Here we show both the short and intermediate-range atomic structures of amorphous DVD material, Ge2Sb2Te5 (GST), investigated by a combination of anomalous x ray scattering and reverse Monte Carlo modeling. From the obtained atomic configurations of amorphous GST, we have found that the Sb atoms and half of the Ge atoms play roles in the fast phase change process of order-disorder transition, while the remaining Ge atoms act for the proper activation energy of barriers between the amorphous and crystalline phases.

Short-range magnetic order, irreversibility and giant magnetoresistance near the triple points in the (x, T) magnetic phase diagram of ZrMn6Sn6-xGax

NASA Astrophysics Data System (ADS)

Mazet, T.; Ihou-Mouko, H.; Marêché, J.-F.; Malaman, B.

2010-04-01

We have studied pseudo-layered ZrMn6Sn6-xGax intermetallics (0.55 ≤ x ≤ 0.81) using magnetic, magnetoresistivity and powder neutron diffraction measurements. All the alloys studied have magnetic ordering temperatures in the 450-490 K temperature range. They present complex temperature-dependent partially disordered magnetic structures whose ferromagnetic component develops upon increasing the Ga content. ZrMn6Sn6-xGax alloys with x ≤ 0.69 are essentially collinear antiferromagnets at high-temperature and adopt antifan-like arrangements at low temperature. For x ≥ 0.75, the alloys order ferromagnetically and evolve to a fan-like structure upon cooling. The intermediate compositions (x = 0.71 and 0.73) present a canted fan-like order at high temperature and another kind of antifan-like arrangement at low temperature. The degree of short-range order tends to increase upon approaching the intermediate compositions. The (x, T) phase diagram contains two triple points (x ~ 0.70; T ~ 460 K and x ~ 0.74; T ~ 455 K), where the paramagnetic, an incommensurate and a commensurate phases meet, which possess some of the features of Lifshitz point. Irreversibilities manifest in the low-temperature magnetization curves at the antifan-fan or fan-ferromagnetic boundaries as well as inside the fan region. Giant magnetoresistance is observed, even above room temperature.

Local chiral potentials with Δ -intermediate states and the structure of light nuclei

DOE PAGES

Piarulli, M.; Girlanda, L.; Schiavilla, R.; ...

2016-11-28

In this paper, we present fully local versions of the minimally nonlocal nucleon-nucleon potentials constructed in a previous paper [Piarulli et al., Phys. Rev. C 91, 024003 (2015)], and use them in hypersperical harmonics and quantum Monte Carlo calculations of ground and excited states ofmore » $^3$H, $^3$He, $^4$He, $^6$He, and $^6$Li nuclei. The long-range part of these local potentials includes one- and two-pion exchange contributions without and with $$\\Delta$$-isobars in the intermediate states up to order $Q^3$ ($Q$ denotes generically the low momentum scale) in the chiral expansion, while the short-range part consists of contact interactions up to order $Q^4$. The low-energy constants multiplying these contact interactions are fitted to the 2013 Granada database in two different ranges of laboratory energies, either 0–125 MeV or 0–200 MeV, and to the deuteron binding energy and $nn$ singlet scattering length. Fits to these data are performed for three models characterized by long- and short-range cutoffs, $$R_{\\rm L}$$ and $$R_{\\rm S}$$, respectively, ranging from $$(R_{\\rm L},R_{\\rm S})=(1.2,0.8)$$ fm down to $(0.8,0.6)$ fm. Finally, the long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.« less

Local chiral potentials with Δ -intermediate states and the structure of light nuclei

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

Piarulli, M.; Girlanda, L.; Schiavilla, R.

In this paper, we present fully local versions of the minimally nonlocal nucleon-nucleon potentials constructed in a previous paper [Piarulli et al., Phys. Rev. C 91, 024003 (2015)], and use them in hypersperical harmonics and quantum Monte Carlo calculations of ground and excited states ofmore » $^3$H, $^3$He, $^4$He, $^6$He, and $^6$Li nuclei. The long-range part of these local potentials includes one- and two-pion exchange contributions without and with $$\\Delta$$-isobars in the intermediate states up to order $Q^3$ ($Q$ denotes generically the low momentum scale) in the chiral expansion, while the short-range part consists of contact interactions up to order $Q^4$. The low-energy constants multiplying these contact interactions are fitted to the 2013 Granada database in two different ranges of laboratory energies, either 0–125 MeV or 0–200 MeV, and to the deuteron binding energy and $nn$ singlet scattering length. Fits to these data are performed for three models characterized by long- and short-range cutoffs, $$R_{\\rm L}$$ and $$R_{\\rm S}$$, respectively, ranging from $$(R_{\\rm L},R_{\\rm S})=(1.2,0.8)$$ fm down to $(0.8,0.6)$ fm. Finally, the long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.« less

Short-range magentic correlations and dynamic orbital ordering in the thermally activated spin state of LaCoO3

NASA Astrophysics Data System (ADS)

Rosenkranz, S.; Phelan, D.; Louca, D.; Lee, S. H.; Chupas, P. J.; Osborn, R.; Zheng, H.; Mitchell, J. F.

2006-03-01

The cobalt perovskites La1-xSrxCoO3 show intriguing spin, lattice, and orbital properties similar to the ones observed in colossal magnetoresistive manganites. The x=0 parent compound is a non-magnetic insulator at low temperatures, but shows evidence of a spin-state transition of the cobalt ions above 50K from a low-spin to an intermediate or high-spin configuration. Using high resolution, inelastic neutron scattering, we observe a distinct low energy excitation at 0.6meV coincident with the thermally induced spin state transition observed in susceptibility measurements. The thermal activation of this excited spin state also leads to short-range, dynamic ferro- and antiferromagnetic correlations. These observations are consistent with the activation of a zero-field split intermediate spin state as well as the presence of dynamic orbital ordering of these excited states. Work supported by US DOE BES-DMS W-31-109-ENG-38 and NSF DMR-0454672

The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model

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

Alcaraz, Olga; Trullàs, Joaquim, E-mail: quim.trullas@upc.edu; Tahara, Shuta

2016-09-07

The results of the structural properties of molten copper chloride are reported from high-energy X-ray diffraction measurements, reverse Monte Carlo modeling method, and molecular dynamics simulations using a polarizable ion model. The simulated X-ray structure factor reproduces all trends observed experimentally, in particular the shoulder at around 1 Å{sup −1} related to intermediate range ordering, as well as the partial copper-copper correlations from the reverse Monte Carlo modeling, which cannot be reproduced by using a simple rigid ion model. It is shown that the shoulder comes from intermediate range copper-copper correlations caused by the polarized chlorides.

Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si

DOE PAGES

Holmstrom, Eero; Haberl, Bianca; Pakarinen, Olli H.; ...

2016-02-20

Variability in the short-to-intermediate range order of pure amorphous silicon prepared by different experimental and computational techniques is probed by measuring mass density, atomic coordination, bond-angle deviation, and dihedral angle deviation. It is found that there is significant variability in order parameters at these length scales in this archetypal covalently bonded, monoatomic system. This diversity strongly reflects preparation technique and thermal history in both experimental and simulated systems. Experiment and simulation do not fully quantitatively agree, partly due to differences in the way parameters are accessed. However, qualitative agreement in the trends is identified. Relaxed forms of amorphous silicon closelymore » resemble continuous random networks generated by a hybrid method of bond-switching Monte Carlo and molecular dynamics simulation. As-prepared ion implanted amorphous silicon can be adequately modeled using a structure generated from amorphization via ion bombardement using energetic recoils. Preparation methods which narrowly avoid crystallization such as experimental pressure-induced amorphization or simulated melt-quenching result in inhomogeneous structures that contain regions with significant variations in atomic ordering. Ad hoc simulated structures containing small (1 nm) diamond cubic crystal inclusions were found to possess relatively high bond-angle deviations and low dihedral angle deviations, a trend that could not be reconciled with any experimental material.« less

Network structure of SiO2 and MgSiO3 in amorphous and liquid States

NASA Astrophysics Data System (ADS)

Lan, Mai Thi; Thuy Duong, Tran; Viet Huy, Nguyen; Van Hong, Nguyen

2017-03-01

Network structure of SiO2 and MgSiO3 at 300 K and 3200 K is investigated by molecular dynamics simulation and visualization of simulation data. Structural organization of SiO2 and MgSiO3 is clarified via analysis the short range order (SRO) and intermediate range order (IRO). Network topology is determined via analyzing the bond between structural units, the cluster of structural units as well as spatial distribution of structural units. The polyamorphism as well as structural and dynamic heterogeneities are also discussed in this work.

Coherent vector meson photoproduction from deuterium at intermediate energies

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

Rogers, T.C.; Strikman, M.I.; Sargsian, M.M.

2006-04-15

We analyze the cross section for vector meson photoproduction off a deuteron for the intermediate range of photon energies starting at a few giga-electron-volts above the threshold and higher. We reproduce the steps in the derivation of the conventional nonrelativistic Glauber expression based on an effective diagrammatic method while making corrections for Fermi motion and intermediate-energy kinematic effects. We show that, for intermediate-energy vector meson production, the usual Glauber factorization breaks down, and we derive corrections to the usual Glauber method to linear order in longitudinal nucleon momentum. The purpose of our analysis is to establish methods for probing interestingmore » physics in the production mechanism for {phi} mesons and heavier vector mesons. We demonstrate how neglecting the breakdown of Glauber factorization can lead to errors in measurements of basic cross sections extracted from nuclear data.« less

Mechanisms of deterioration of intermediate moisture food systems

NASA Technical Reports Server (NTRS)

Labuza, T. P.

1972-01-01

A study of shelf stability in intermediate moisture foods was made. Major efforts were made to control lipid oxidation and nonenzymatic browning. In order to determine means of preventing these reactions, model systems were developed having the same water activity content relationship of intermediate moisture foods. Models were based on a cellulose-lipid and protein-lipid system with glycerol added as the humectant. Experiments with both systems indicate that lipid oxidation is promoted significantly in the intermediate moisture range. The effect appeared to be related to increased mobility of either reactants or catalysts, since when the amount of water in the system reached a level where capillary condensation occurred and thus free water was present, the rates of oxidation increased. With added glycerol, which is water soluble and thus increases the amount of mobile phase, the increase in oxidation rate occurs at a lower relative humidity. The rates of oxidation were maximized at 61% RH and decreased again at 75% RH probably due to dilution. No significant non-enzymatic browning occurred in the protein-lipid systems. Prevention of oxidation by the use of metal chelating agents was enhanced in the cellulose system, whereas, with protein present, the lipid soluble chain terminating antioxidants (such as BHA) worked equally as well. Preliminary studies of foods adjusted to the intermediate moisture range bear out the results of oxidation in model systems. It can be concluded that for most fat containing intermediate moisture foods, rancidity will be the reaction most limiting stability.

Influence Of Momentum Excess On The Pattern And Dynamics Of Intermediate-Range Stratified Wakes

DTIC Science & Technology

2016-06-01

excess in order to model the fundamental differences between signatures generated by towed and self- propelled bodies in various ocean states. In cases...which can be used on the operational level for developing and improving algorithms for non- acoustic signature prediction and detection. 14. SUBJECT...order to model the fundamental differences between signatures generated by towed and self- propelled bodies in various ocean states. In cases where

Synthesis and Characterization of Metal Complexes with Schiff Base Ligands

ERIC Educational Resources Information Center

Wilkinson, Shane M.; Sheedy, Timothy M.; New, Elizabeth J.

2016-01-01

In order for undergraduate laboratory experiments to reflect modern research practice, it is essential that they include a range of elements, and that synthetic tasks are accompanied by characterization and analysis. This intermediate general chemistry laboratory exercise runs over 2 weeks, and involves the preparation of a Schiff base ligand and…

Zigzag antiferromagnetic ground state with anisotropic correlation lengths in the quasi-two-dimensional honeycomb lattice compound N a2C o2Te O6

NASA Astrophysics Data System (ADS)

Bera, A. K.; Yusuf, S. M.; Kumar, Amit; Ritter, C.

2017-03-01

The crystal structure, magnetic ground state, and the temperature-dependent microscopic spin-spin correlations of the frustrated honeycomb lattice antiferromagnet N a2C o2Te O6 have been investigated by powder neutron diffraction. A long-range antiferromagnetic (AFM) ordering has been found below TN˜24.8 K . The magnetic ground state, determined to be zigzag antiferromagnetic and characterized by a propagation vector k =(1 /2 0 0 ) , occurs due to the competing exchange interactions up to third-nearest neighbors within the honeycomb lattice. The exceptional existence of a limited magnetic correlation length along the c axis (perpendicular to the honeycomb layers in the a b planes) has been found even at 1.8 K, well below the TN˜24.8 K . The observed limited correlation along the c axis is explained by the disorder distribution of the Na ions within the intermediate layers between honeycomb planes. The reduced ordered moments mCo (1 )=2.77 (3 ) μB/C o2 + and mCo (2 )=2.45 (2 ) μB/C o2 + at 1.8 K reflect the persistence of spin fluctuations in the ordered state. Above TN˜24.8 K , the presence of short-range magnetic correlations, manifested by broad diffuse magnetic peaks in the diffraction patterns, has been found. Reverse Monte Carlo analysis of the experimental diffuse magnetic scattering data reveals that the spin correlations are mainly confined within the two-dimensional honeycomb layers (a b plane) with a correlation length of ˜12 Å at 25 K. The nature of the spin arrangements is found to be similar in both the short-range and long-range ordered magnetic states. This implies that the short-range correlation grows with decreasing temperature and leads to the zigzag AFM ordering at T ≤TN . The present study provides a comprehensive picture of the magnetic correlations over the temperature range above and below the TN and their relation to the crystal structure. The role of intermediate soft Na layers on the magnetic coupling between honeycomb planes is discussed.

Singular ferromagnetic susceptibility of the transverse-field Ising antiferromagnet on the triangular lattice

NASA Astrophysics Data System (ADS)

Biswas, Sounak; Damle, Kedar

2018-02-01

A transverse magnetic field Γ is known to induce antiferromagnetic three-sublattice order of the Ising spins σz in the triangular lattice Ising antiferromagnet at low enough temperature. This low-temperature order is known to melt on heating in a two-step manner, with a power-law ordered intermediate temperature phase characterized by power-law correlations at the three-sublattice wave vector Q : <σz(R ⃗) σz(0 ) > ˜cos(Q .R ⃗) /|R⃗| η (T ) with the temperature-dependent power-law exponent η (T )∈(1 /9 ,1 /4 ) . Here, we use a quantum cluster algorithm to study the ferromagnetic easy-axis susceptibility χu(L ) of an L ×L sample in this power-law ordered phase. Our numerical results are consistent with a recent prediction of a singular L dependence χu(L ) ˜L2 -9 η when η (T ) is in the range (1 /9 ,2 /9 ) . This finite-size result implies, via standard scaling arguments, that the ferromagnetic susceptibility χu(B ) to a uniform field B along the easy axis is singular at intermediate temperatures in the small B limit, χu(B ) ˜|B| -4/-18 η 4 -9 η for η (T )∈(1 /9 ,2 /9 ) , although there is no ferromagnetic long-range order in the low temperature state. Additionally we establish similar two-step melting behavior (via a study of the order parameter susceptibility χQ) in the case of the ferrimagnetic three-sublattice ordered phase which is stabilized by ferromagnetic next-neighbor couplings (J2) and confirm that the ferromagnetic susceptibility obeys the predicted singular form in the associated power-law ordered phase.

The thermally reversing window in ternary GexPxS1-2x glasses

NASA Astrophysics Data System (ADS)

Vempati, U.; Boolchand, P.

2004-11-01

GexPxS1-2x glasses in the compositional range 0.05 \\le x \\le 0.19 have been synthesized and examined in temperature modulated differential scanning calorimetry (MDSC) and Raman scattering experiments. Trends in the non-reversing enthalpy ΔHnr(x) near Tg show the term to almost vanish in the 0.090(5)0.135. In analogy to previous results on chalcogenide glasses, we identify compositions at x<0.09 to be elastically floppy, those in the 0.0900.135 to be stressed rigid. MDSC results also show that the ΔHnr term ages in the stressed-rigid and floppy phases but not in the intermediate phase. The intermediate phase is viewed to be a self-organized phase of a disordered network. It consists of at least four isostatically rigid local structures: corner-sharing GeS4, edge-sharing GeS2, pyramidal P(S1/2)3 and quasi-tetrahedral S = P(S1/2)3 units for which evidence comes from Raman scattering. The latter method also shows the existence of P4S7 and P4S10 molecules in the glasses segregated from the backbone. These aspects of structure contribute to an intermediate phase that is significantly narrower in width than in the corresponding selenide glasses.

Variability of textural features in FDG PET images due to different acquisition modes and reconstruction parameters.

PubMed

Galavis, Paulina E; Hollensen, Christian; Jallow, Ngoneh; Paliwal, Bhudatt; Jeraj, Robert

2010-10-01

Characterization of textural features (spatial distributions of image intensity levels) has been considered as a tool for automatic tumor segmentation. The purpose of this work is to study the variability of the textural features in PET images due to different acquisition modes and reconstruction parameters. Twenty patients with solid tumors underwent PET/CT scans on a GE Discovery VCT scanner, 45-60 minutes post-injection of 10 mCi of [(18)F]FDG. Scans were acquired in both 2D and 3D modes. For each acquisition the raw PET data was reconstructed using five different reconstruction parameters. Lesions were segmented on a default image using the threshold of 40% of maximum SUV. Fifty different texture features were calculated inside the tumors. The range of variations of the features were calculated with respect to the average value. Fifty textural features were classified based on the range of variation in three categories: small, intermediate and large variability. Features with small variability (range ≤ 5%) were entropy-first order, energy, maximal correlation coefficient (second order feature) and low-gray level run emphasis (high-order feature). The features with intermediate variability (10% ≤ range ≤ 25%) were entropy-GLCM, sum entropy, high gray level run emphsis, gray level non-uniformity, small number emphasis, and entropy-NGL. Forty remaining features presented large variations (range > 30%). Textural features such as entropy-first order, energy, maximal correlation coefficient, and low-gray level run emphasis exhibited small variations due to different acquisition modes and reconstruction parameters. Features with low level of variations are better candidates for reproducible tumor segmentation. Even though features such as contrast-NGTD, coarseness, homogeneity, and busyness have been previously used, our data indicated that these features presented large variations, therefore they could not be considered as a good candidates for tumor segmentation.

Variability of textural features in FDG PET images due to different acquisition modes and reconstruction parameters

PubMed Central

GALAVIS, PAULINA E.; HOLLENSEN, CHRISTIAN; JALLOW, NGONEH; PALIWAL, BHUDATT; JERAJ, ROBERT

2014-01-01

Background Characterization of textural features (spatial distributions of image intensity levels) has been considered as a tool for automatic tumor segmentation. The purpose of this work is to study the variability of the textural features in PET images due to different acquisition modes and reconstruction parameters. Material and methods Twenty patients with solid tumors underwent PET/CT scans on a GE Discovery VCT scanner, 45–60 minutes post-injection of 10 mCi of [18F]FDG. Scans were acquired in both 2D and 3D modes. For each acquisition the raw PET data was reconstructed using five different reconstruction parameters. Lesions were segmented on a default image using the threshold of 40% of maximum SUV. Fifty different texture features were calculated inside the tumors. The range of variations of the features were calculated with respect to the average value. Results Fifty textural features were classified based on the range of variation in three categories: small, intermediate and large variability. Features with small variability (range ≤ 5%) were entropy-first order, energy, maximal correlation coefficient (second order feature) and low-gray level run emphasis (high-order feature). The features with intermediate variability (10% ≤ range ≤ 25%) were entropy-GLCM, sum entropy, high gray level run emphsis, gray level non-uniformity, small number emphasis, and entropy-NGL. Forty remaining features presented large variations (range > 30%). Conclusion Textural features such as entropy-first order, energy, maximal correlation coefficient, and low-gray level run emphasis exhibited small variations due to different acquisition modes and reconstruction parameters. Features with low level of variations are better candidates for reproducible tumor segmentation. Even though features such as contrast-NGTD, coarseness, homogeneity, and busyness have been previously used, our data indicated that these features presented large variations, therefore they could not be considered as a good candidates for tumor segmentation. PMID:20831489

Russian Compliance with the Intermediate Range Nuclear Forces (INF) Treaty: Background and Issues for Congress

DTIC Science & Technology

2017-01-27

Russian Compliance with the Intermediate Range Nuclear Forces (INF) Treaty: Background and Issues for Congress Amy F. Woolf Specialist in... Nuclear Weapons Policy January 27, 2017 Congressional Research Service 7-5700 www.crs.gov R43832 Russian Compliance with the Intermediate Range... Nuclear Forces (INF) Treaty Congressional Research Service Summary The United States and Soviet Union signed the Intermediate-Range Nuclear Forces

Short-Time Glassy Dynamics in Viscous Protein Solutions with Competing Interactions

DOE PAGES

Godfrin, P. Douglas; Hudson, Steven; Hong, Kunlun; ...

2015-11-24

Although there have been numerous investigations of the glass transition for colloidal dispersions with only a short-ranged attraction, less is understood for systems interacting with a long-ranged repulsion in addition to this attraction, which is ubiquitous in aqueous protein solutions at low ionic strength. Highly puri ed concentrated lysozyme solutions are used as a model system and investigated over a large range of protein concentrations at very low ionic strength. Newtonian liquid behavior is observed at all concentrations, even up to 480 mg/mL, where the zero shear viscosity increases by more than three orders of magnitude with increasing concentration. Remarkably,more » despite this macroscopic liquid-like behavior, the measurements of the dynamics in the short-time limit shows features typical of glassy colloidal systems. Investigation of the inter-protein structure indicates that the reduced short-time mobility of the protein is caused by localized regions of high density within a heterogeneous density distribution. This structural heterogeneity occurs on intermediate range length scale, driven by the competing potential features, and is distinct from commonly studied colloidal gel systems in which a heterogeneous density distribution tends to extend to the whole system. The presence of long-ranged repulsion also allows for more mobility over large length and long time scales resulting in the macroscopic relaxation of the structure. The experimental results provide evidence for the need to explicitly include intermediate range order in theories for the macroscopic properties of protein solutions interacting via competing potential features.« less

Non-integer viscoelastic constitutive law to model soft biological tissues to in-vivo indentation.

PubMed

Demirci, Nagehan; Tönük, Ergin

2014-01-01

During the last decades, derivatives and integrals of non-integer orders are being more commonly used for the description of constitutive behavior of various viscoelastic materials including soft biological tissues. Compared to integer order constitutive relations, non-integer order viscoelastic material models of soft biological tissues are capable of capturing a wider range of viscoelastic behavior obtained from experiments. Although integer order models may yield comparably accurate results, non-integer order material models have less number of parameters to be identified in addition to description of an intermediate material that can monotonically and continuously be adjusted in between an ideal elastic solid and an ideal viscous fluid. In this work, starting with some preliminaries on non-integer (fractional) calculus, the "spring-pot", (intermediate mechanical element between a solid and a fluid), non-integer order three element (Zener) solid model, finally a user-defined large strain non-integer order viscoelastic constitutive model was constructed to be used in finite element simulations. Using the constitutive equation developed, by utilizing inverse finite element method and in vivo indentation experiments, soft tissue material identification was performed. The results indicate that material coefficients obtained from relaxation experiments, when optimized with creep experimental data could simulate relaxation, creep and cyclic loading and unloading experiments accurately. Non-integer calculus viscoelastic constitutive models, having physical interpretation and modeling experimental data accurately is a good alternative to classical phenomenological viscoelastic constitutive equations.

Influence of electron doping on the ground state of (Sr 1-xLa x) 2IrO 4

DOE PAGES

Chen, Xiang; Hogan, Tom; Walkup, D.; ...

2015-08-17

The evolution of the electronic properties of electron-doped (Sr 1-xLa x) 2IrO 4 is experimentally explored as the doping limit of La is approached. As electrons are introduced, the electronic ground state transitions from a spin-orbit Mott phase into an electronically phase separated state, where long-range magnetic order vanishes beyond x = 0:02 and charge transport remains percolative up to the limit of La substitution (x =0:06). In particular, the electronic ground state remains inhomogeneous even beyond the collapse of the parent state's long-range antiferromagnetic order, while persistent short-range magnetism survives up to the highest La-substitution levels. Furthermore, as electronsmore » are doped into Sr 2IrO 4, we observe the appearance of a low temperature magnetic glass-like state intermediate to the complete suppression of antiferromagnetic order. Universalities and di erences in the electron-doped phase diagrams of single layer and bilayer Ruddlesden-Popper strontium iridates are discussed.« less

Rapid time-resolved diffraction studies of protein structures using synchrotron radiation

NASA Astrophysics Data System (ADS)

Bartunik, Hans D.; Bartunik, Lesley J.

1992-07-01

The crystal structure of intermediate states in biological reactions of proteins of multi-protein complexes may be studied by time-resolved X-ray diffraction techniques which make use of the high spectral brilliance, continuous wavelength distribution and pulsed time structure of synchrotron radiation. Laue diffraction methods provide a means of investigating intermediate structures with lifetimes in the millisecond time range at presently operational facilities. Third-generation storage rings which are under construction may permit one to reach a time resolution of one microsecond for non-cyclic and one nanosecond for cyclic reactions. The number of individual exposures required for exploring reciprocal space and hence the total time scale strongly depend on the lattice order that may be affected, e.g., by conformational changes. Time-resolved experiments require high population of a specific intermediate which has to be homogeneous over the crystal volume. A number of external excitation techniques have been developed including in situ liberation of active metabolites by laser pulse photolysis of photolabile inactive precursors. First applications to crystal structure analysis of catalytic intermediates of enzymes demonstrate the potential of time-resolved protein crystallography.

The ferromagnetic-spin glass transition in PdMn alloys: symmetry breaking of ferromagnetism and spin glass studied by a multicanonical method.

PubMed

Kato, Tomohiko; Saita, Takahiro

2011-03-16

The magnetism of Pd(1-x)Mn(x) is investigated theoretically. A localized spin model for Mn spins that interact with short-range antiferromagnetic interactions and long-range ferromagnetic interactions via itinerant d electrons is set up, with no adjustable parameters. A multicanonical Monte Carlo simulation, combined with a procedure of symmetry breaking, is employed to discriminate between the ferromagnetic and spin glass orders. The transition temperature and the low-temperature phase are determined from the temperature variation of the specific heat and the probability distributions of the ferromagnetic order parameter and the spin glass order parameter at different concentrations. The calculation results reveal that only the ferromagnetic phase exists at x < 0.02, that only the spin glass phase exists at x > 0.04, and that the two phases coexist at intermediate concentrations. This result agrees semi-quantitatively with experimental results.

Array design considerations for exploitation of stable weakly dispersive modal pulses in the deep ocean

NASA Astrophysics Data System (ADS)

Udovydchenkov, Ilya A.

2017-07-01

Modal pulses are broadband contributions to an acoustic wave field with fixed mode number. Stable weakly dispersive modal pulses (SWDMPs) are special modal pulses that are characterized by weak dispersion and weak scattering-induced broadening and are thus suitable for communications applications. This paper investigates, using numerical simulations, receiver array requirements for recovering information carried by SWDMPs under various signal-to-noise ratio conditions without performing channel equalization. Two groups of weakly dispersive modal pulses are common in typical mid-latitude deep ocean environments: the lowest order modes (typically modes 1-3 at 75 Hz), and intermediate order modes whose waveguide invariant is near-zero (often around mode 20 at 75 Hz). Information loss is quantified by the bit error rate (BER) of a recovered binary phase-coded signal. With fixed receiver depths, low BERs (less than 1%) are achieved at ranges up to 400 km with three hydrophones for mode 1 with 90% probability and with 34 hydrophones for mode 20 with 80% probability. With optimal receiver depths, depending on propagation range, only a few, sometimes only two, hydrophones are often sufficient for low BERs, even with intermediate mode numbers. Full modal resolution is unnecessary to achieve low BERs. Thus, a flexible receiver array of autonomous vehicles can outperform a cabled array.

Chiral symmetry and the nucleon-nucleon interaction

DOE PAGES

Machleidt, Ruprecht

2016-04-20

We review how nuclear forces emerge from low-energy quantum chromodynamics (QCD) via chiral effective field theory (EFT). During the past two decades, this approach has evolved into a powerful tool to derive nuclear two- and many-body forces in a systematic and model-independent way. We then focus on the nucleon-nucleon (NN) interaction and show in detail how, governed by chiral symmetry, the long- and intermediate-range of the NN potential builds up order by order. We proceed up to sixth order in small momenta, where convergence is achieved. Lastly, the final result allows for a full assessment of the validity of themore » chiral EFT approach to the NN interaction.« less

Ground-state phases of the spin-1 J1-J2 Heisenberg antiferromagnet on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Li, P. H. Y.; Bishop, R. F.

2016-06-01

We study the zero-temperature quantum phase diagram of a spin-1 Heisenberg antiferromagnet on the honeycomb lattice with both nearest-neighbor exchange coupling J1>0 and frustrating next-nearest-neighbor coupling J2≡κ J1>0 , using the coupled cluster method implemented to high orders of approximation, and based on model states with different forms of classical magnetic order. For each we calculate directly in the bulk thermodynamic limit both ground-state low-energy parameters (including the energy per spin, magnetic order parameter, spin stiffness coefficient, and zero-field uniform transverse magnetic susceptibility) and their generalized susceptibilities to various forms of valence-bond crystalline (VBC) order, as well as the energy gap to the lowest-lying spin-triplet excitation. In the range 0 <κ <1 we find evidence for four distinct phases. Two of these are quasiclassical phases with antiferromagnetic long-range order, one with two-sublattice Néel order for κ <κc1=0.250(5 ) , and another with four-sublattice Néel-II order for κ >κc 2=0.340 (5 ) . Two different paramagnetic phases are found to exist in the intermediate region. Over the range κc1<κ<κci=0.305 (5 ) we find a gapless phase with no discernible magnetic order, which is a strong candidate for being a quantum spin liquid, while over the range κci<κ <κc 2 we find a gapped phase, which is most likely a lattice nematic with staggered dimer VBC order that breaks the lattice rotational symmetry.

An operando FTIR spectroscopic and kinetic study of carbon monoxide pressure influence on rhodium-catalyzed olefin hydroformylation.

PubMed

Kubis, Christoph; Sawall, Mathias; Block, Axel; Neymeyr, Klaus; Ludwig, Ralf; Börner, Armin; Selent, Detlef

2014-09-08

The influence of carbon monoxide concentration on the kinetics of the hydroformylation of 3,3-dimethyl-1-butene with a phosphite-modified rhodium catalyst has been studied for the pressure range p(CO)=0.20-3.83 MPa. Highly resolved time-dependent concentration profiles of the organometallic intermediates were derived from IR spectroscopic data collected in situ for the entire olefin-conversion range. The dynamics of the catalyst and organic components are described by enzyme-type kinetics with competitive and uncompetitive inhibition reactions involving carbon monoxide taken into account. Saturation of the alkyl-rhodium intermediates with carbon monoxide as a cosubstrate occurs between 1.5 and 2 MPa of carbon monoxide pressure, which brings about a convergence of aldehyde regioselectivity. Hydrogenolysis of the acyl intermediate is fast at 30 °C and low pressure of p(CO)=0.2 MPa, but is of minus first order with respect to the solution concentration of carbon monoxide. Resting 18-electron hydrido and acyl complexes that correspond to early and late rate-determining states, respectively, coexist as long as the conversion of the substrate is not complete. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reversibility and intermediate steps as key tools for the growth of extended ordered polymers via on-surface synthesis

NASA Astrophysics Data System (ADS)

Di Giovannantonio, Marco; Contini, Giorgio

2018-03-01

Surface-confined polymerization is a bottom-up strategy to create one- and two-dimensional covalent organic nanostructures with a π-conjugated backbone, which are suitable to be employed in real-life electronic devices, due to their high mechanical resistance and electronic charge transport efficiency. This strategy makes it possible to change the properties of the final nanostructures by a careful choice of the monomer architecture (i.e. of its constituent atoms and their spatial arrangement). Several chemical reactions have been proven to form low-dimensional polymers on surfaces, exploiting a variety of precursors in combination with metal (e.g. Cu, Ag, Au) and insulating (e.g. NaCl, CaCO3) surfaces. One of the main challenges of such an approach is to obtain nanostructures with long-range order, to boost the conductance performances of these materials. Most of the exploited chemical reactions use irreversible coupling between the monomers and, as a consequence, the resulting structures often suffer from poor order and high defect density. This review focuses on the state-of-the-art surface-confined polymerization reactions, with particular attention paid to reversible coupling pathways and irreversible processes including intermediate states, which are key aspects to control to increase the order of the final nanostructure.

Dynamic-load-enabled ultra-low power multiple-state RRAM devices.

PubMed

Yang, Xiang; Chen, I-Wei

2012-01-01

Bipolar resistance-switching materials allowing intermediate states of wide-varying resistance values hold the potential of drastically reduced power for non-volatile memory. To exploit this potential, we have introduced into a nanometallic resistance-random-access-memory (RRAM) device an asymmetric dynamic load, which can reliably lower switching power by orders of magnitude. The dynamic load is highly resistive during on-switching allowing access to the highly resistive intermediate states; during off-switching the load vanishes to enable switching at low voltage. This approach is entirely scalable and applicable to other bipolar RRAM with intermediate states. The projected power is 12 nW for a 100 × 100 nm(2) device and 500 pW for a 10 × 10 nm(2) device. The dynamic range of the load can be increased to allow power to be further decreased by taking advantage of the exponential decay of wave-function in a newly discovered nanometallic random material, reaching possibly 1 pW for a 10×10 nm(2) nanometallic RRAM device.

Effects of competition among fertility centers on pregnancy and high-order multiple gestation rates.

PubMed

Steiner, Anne Z; Paulson, Richard J; Hartmann, Katherine E

2005-05-01

To measure the effect of competition among fertility centers on pregnancy and high-order multiple (HOM) gestation rates after IVF. Retrospective cohort study. Four hundred eight fertility clinics registered with the Society for Assisted Reproductive Technology as providing IVF services in 2000. Competition was defined as number of clinics in a geographically defined area. Demand for services was based on the population of reproductive-aged women. Three hundred eighty-one fertility clinics reporting clinical outcomes. Pregnancy rates, HOM gestation rates, population of reproductive-aged women, and number of competing clinics were calculated for each clinic from Society for Assisted Reproductive Technology and census data. The clinic HOM gestation rate (percentage of pregnancies that were HOM) and age-adjusted pregnancy rate. The number of clinics in an area of competition ranged from 1 to 22. The HOM gestation rate per clinic ranged from 0% to 50%. As demand increased, competition increased. As competition increased, the number of HOM pregnancies per clinic decreased. In areas of low competition (1 to 2 clinics) the clinic HOM gestation rate was 8.43%, in areas of intermediate competition (3-7 clinics) 8.39%, and in areas of high competition (8-22 clinics) 8.24%. In areas with intermediate demand, high levels of competition resulted in fewer HOM pregnancies than intermediate competition (relative risk 0.56, 95% confidence interval 0.36-0.89) or low levels of competition (RR 0.57, 95% confidence interval 0.35-0.94). Age-adjusted pregnancy rates did not differ by level of competition. According to these data, the risk of HOM gestation decreases with increasing competition among clinics; however, pregnancy rates are unaffected.

Long-Range Self-Assembly via the Mutual Lorentz Force of Plasmon Radiation.

PubMed

Ji, Haojie; Trevino, Jacob; Tu, Raymond; Knapp, Ellen; McQuade, James; Yurkiv, Vitaliy; Mashayek, Farzad; Vuong, Luat T

2018-04-11

Long-range interactions often proceed as a sequence of hopping through intermediate, statistically favored events. Here, we demonstrate predictable mechanical dynamics of particles that arise from the Lorentz force between plasmons. Even if the radiation is weak, the nonconservative Lorentz force produces stable locations perpendicular to the plasmon oscillation; over time, distinct patterns emerge. Experimentally, linearly polarized light illumination leads to the formation of 80 nm diameter Au nanoparticle chains, perpendicularly aligned, with lengths that are orders of magnitude greater than their plasmon near-field interaction. There is a critical intensity threshold and optimal concentration for observing self-assembly.

Effect of chain stiffness on the competition between crystallization and glass-formation in model unentangled polymers

NASA Astrophysics Data System (ADS)

Nguyen, Hong T.; Smith, Tyler B.; Hoy, Robert S.; Karayiannis, Nikos Ch.

2015-10-01

We map out the solid-state morphologies formed by model soft-pearl-necklace polymers as a function of chain stiffness, spanning the range from fully flexible to rodlike chains. The ratio of Kuhn length to bead diameter (lK/r0) increases monotonically with increasing bending stiffness kb and yields a one-parameter model that relates chain shape to bulk morphology. In the flexible limit, monomers occupy the sites of close-packed crystallites while chains retain random-walk-like order. In the rodlike limit, nematic chain ordering typical of lamellar precursors coexists with close-packing. At intermediate values of bending stiffness, the competition between random-walk-like and nematic chain ordering produces glass-formation; the range of kb over which this occurs increases with the thermal cooling rate | T ˙ | implemented in our molecular dynamics simulations. Finally, values of kb between the glass-forming and rodlike ranges produce complex ordered phases such as close-packed spirals. Our results should provide a useful initial step in a coarse-grained modeling approach to systematically determining the effect of chain stiffness on the crystallization-vs-glass-formation competition in both synthetic and colloidal polymers.

The origin of and conditions for clustering in fluids with competing interactions

NASA Astrophysics Data System (ADS)

Jadrich, Ryan; Bollinger, Jonathan; Truskett, Thomas

2015-03-01

Fluids with competing short-range attractions and long-range repulsions exhibit a rich phase behavior characterized by intermediate range order (IRO), as quantified via the static structure factor. This phase behavior includes cluster formation depending upon density-controlled packing effects and the magnitude and range of the attractive and repulsive interactions. Such model systems mimic (to zeroth order) screened, charge-stabilized, aqueous colloidal dispersions of, e.g., proteins. We employ molecular dynamics simulations and integral equation theory to elucidate a more fundamental microscopic explanation for IRO-driven clustering. A simple criterion is identified that indicates when dynamic, amorphous clustering emerges in a polydisperse system, namely when the Ornstein-Zernike thermal correlation length in the system exceeds the repulsive potential tail range. Remarkably, this criterion also appears tightly correlated to crystalline cluster formation in a monodisperse system. Our new gauge is compared to another phenomenological condition for clustering which is when the IRO peak magnitude exceeds ~ 2.7. Ramifications of crystalline versus amorphous clustering are discussed and potential ways of using our new measure in experiment are put forward.

Kinetic evidence for folding and unfolding intermediates in staphylococcal nuclease.

PubMed

Walkenhorst, W F; Green, S M; Roder, H

1997-05-13

The complex kinetic behavior commonly observed in protein folding studies suggests that a heterogeneous population of molecules exists in solution and that a number of discrete steps are involved in the conversion of unfolded molecules to the fully native form. A central issue in protein folding is whether any of these kinetic events represent conformational steps important for efficient folding rather than side reactions caused by slow steps such as proline isomerization or misfolding of the polypeptide chain. In order to address this question, we used stopped-flow fluorescence techniques to characterize the kinetic mechanism of folding and unfolding for a Pro- variant of SNase in which all six proline residues were replaced by glycines or alanines. Compared to the wild-type protein, which exhibits a series of proline-dependent slow folding phases, the folding kinetics of Pro- SNase were much simpler, which made quantitative kinetic analysis possible. Despite the absence of prolines or other complicating factors, the folding kinetics still contain several phases and exhibit a complex denaturant dependence. The GuHCl dependence of the major observable folding phase and a distinct lag in the appearance of the native state provide clear evidence for an early folding intermediate. The fluorescence of Trp140 in the alpha-helical domain is insensitive to the formation of this early intermediate, which is consistent with a partially folded state with a stable beta-domain and a largely disordered alpha-helical region. A second intermediate is required to model the kinetics of unfolding for the Pro- variant, which shows evidence for a denaturant-induced change in the rate-limiting unfolding step. With the inclusion of these two intermediates, we are able to completely model the major phase(s) in both folding and unfolding across a wide range of denaturant concentrations using a sequential four-state folding mechanism. In order to model the minor slow phase observed for the Pro- mutant, a six-state scheme containing a parallel pathway originating from a distinct unfolded state was required. The properties of this alternate unfolded conformation are consistent with those expected due to the presence of a non-prolyl cis peptide bond. To test the kinetic model, we used simulations based on the six-state scheme and were able to completely reproduce the folding kinetics for Pro- SNase across a range of denaturant concentrations.

Visual performance after bilateral implantation of 2 new presbyopia-correcting intraocular lenses: Trifocal versus extended range of vision.

PubMed

Monaco, Gaspare; Gari, Mariangela; Di Censo, Fabio; Poscia, Andrea; Ruggi, Giada; Scialdone, Antonio

2017-06-01

To compare the visual outcomes and quality of vision of 2 new diffractive multifocal intraocular lenses (IOLs) with those of a monofocal IOL. Fatebenefratelli e Oftalmico Hospital, Milan, Italy. Prospective case series. Patients had bilateral cataract surgery with implantation of a trifocal IOL (Panoptix), an extended-range-of-vision IOL (Symfony), or a monofocal IOL (SN60WF). Postoperative examinations included assessing distance, intermediate, and near visual acuity; binocular defocus; intraocular and total aberrations; point-spread function (PSF); modulation transfer function (MTF); retinal straylight; and quality-of-vision (QoV) and spectacle-dependence questionnaires. Seventy-six patients (152 eyes) were assessed for study eligibility. Twenty patients (40 eyes) in each arm of the study (60 patients, 120 eyes) completed the outcome assessment. At the 4-month follow-up, the trifocal group had significantly better near visual acuity than the extended-range-of-vision group (P = .005). The defocus curve showed the trifocal IOL had better intermediate/near performance than the extended-range-of-vision IOL and both multifocal IOLs performed better than the monofocal IOL. Intragroup comparison of the total higher-order aberrations, PSF, MTF, and retinal straylight were not statistically different. The QoV questionnaire results showed no differences in dysphotopsia between the multifocal IOL groups; however, the results were significantly higher than in the monofocal IOL group. Both multifocal IOLs seemed to be good options for patients with intermediate-vision requirements, whereas the trifocal IOL might be better for patients with near-vision requirements. The significant perception of visual side effects indicates that patients still must be counseled about these effects before a multifocal IOL is implanted. Copyright © 2017 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

Ethylene Epoxidation with Nitrous Oxide over Fe-BTC Metal-Organic Frameworks: A DFT Study.

PubMed

Maihom, Thana; Choomwattana, Saowapak; Wannakao, Sippakorn; Probst, Michael; Limtrakul, Jumras

2016-11-04

The epoxidation of ethylene with N 2 O over the metal-organic framework Fe-BTC (BTC=1,3,5-benzentricarboxylate) is investigated by means of density functional calculations. Two reaction paths for the production of ethylene oxide or acetaldehyde are systematically considered in order to assess the efficiency of Fe-BTC for the selective formation of ethylene oxide. The reaction starts with the decomposition of N 2 O to form an active surface oxygen atom on the Fe site of Fe-BTC, which subsequently reacts with an ethylene molecule to form an ethyleneoxy intermediate. This intermediate can then be selectively transformed either by 1,2-hydride shift into the undesired product acetaldehyde or into the desired product ethylene oxide by way of ring closure of the intermediate. The production of ethylene oxide requires an activation energy of 5.1 kcal mol -1 , which is only about one-third of the activation energy of acetaldehyde formation (14.3 kcal mol -1 ). The predicted reaction rate constants for the formation of ethylene oxide in the relevant temperature range are approximately 2-4 orders of magnitude higher than those for acetaldehyde. Altogether, the results suggest that Fe-BTC is a good candidate catalyst for the epoxidation of ethylene by molecular N 2 O. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Magnetic specific heat and structural phase transitions in (CH3)4NMnCl3 (TMMC) and TMMC:Cu2+ studied by crystal optics

NASA Astrophysics Data System (ADS)

Levola, T.; Kleemann, W.

1985-10-01

High-resolution refractive index (RI) and linear birefringence (LB) measurements are performed on the one-dimensional antiferromagnet tetramethyl ammonium manganese trichloride (TMMC) in order to reveal the temperature dependence of the magnetic short-range order. In agreement with values obtained by other methods an exchange constant J/kB=-7.3 K is reliably extracted. Anomalies of the in-plane LB and of the ordinary RI at the hexagonal-to-monoclinic structural phase transition (Tc=126 K) are successfully described with the use of linear elasto-optic response theory and the Landau approximation, which accounts for symmetry-adapted coupling between the components of the order parameter and of the spontaneous strain. Cu2+ ions, substituting Mn2+ ions of TMMC at a rate exceeding x=1.5%, are shown to stabilize an intermediate, possibly incommensurate phase. Its stability range is marked by very drastic decreases &=145 K and &=55 K for x=4.5%, respectively.

Secuencias evolutivas e isocronas para estrellas de baja masa e intermedia

NASA Astrophysics Data System (ADS)

Panei, J.; Baume, G.

2016-08-01

We present theoretical evolutionary sequences for low- and intermediate-mass stars. The masses calculated range from 1.7 to 10 M. The initial chemical composition is . In addition, we have taken into account a nuclear network with 17 isotopes and 34 nuclear reactions. With respect to the mix, we considered overshooting with a parameter . The evolutionary calculations were initialized from the region of instability of Hayashi, in order to calculate isochrones of pre-sequence, too.

Minimally nonlocal nucleon-nucleon potentials with chiral two-pion exchange including Δ resonances

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

Piarulli, M.; Girlanda, L.; Schiavilla, R.

In this study, we construct a coordinate-space chiral potential, including Δ-isobar intermediate states in its two-pion-exchange component up to order Q 3 (Q denotes generically the low momentum scale). The contact interactions entering at next-to-leading and next-to-next-to-next-to-leading orders (Q 2 and Q 4, respectively) are rearranged by Fierz transformations to yield terms at most quadratic in the relative momentum operator of the two nucleons. The low-energy constant multiplying these contact interactions are fitted to the 2013 Granada database, consisting of 2309 pp and 2982 np data (including, respectively, 148 and 218 normalizations) in the laboratory-energy range 0–300 MeV. For themore » total 5291 $pp$ and $np$ data in this range, we obtain a Χ 2 /datum of roughly 1.3 for a set of three models characterized by long- and short-range cutoffs, R L and R S respectively, ranging from (R L,R S)=(1.2,0.8) fm down to (0.8,0.6) fm. The long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.« less

Minimally nonlocal nucleon-nucleon potentials with chiral two-pion exchange including Δ resonances

DOE PAGES

Piarulli, M.; Girlanda, L.; Schiavilla, R.; ...

2015-02-26

In this study, we construct a coordinate-space chiral potential, including Δ-isobar intermediate states in its two-pion-exchange component up to order Q 3 (Q denotes generically the low momentum scale). The contact interactions entering at next-to-leading and next-to-next-to-next-to-leading orders (Q 2 and Q 4, respectively) are rearranged by Fierz transformations to yield terms at most quadratic in the relative momentum operator of the two nucleons. The low-energy constant multiplying these contact interactions are fitted to the 2013 Granada database, consisting of 2309 pp and 2982 np data (including, respectively, 148 and 218 normalizations) in the laboratory-energy range 0–300 MeV. For themore » total 5291 $pp$ and $np$ data in this range, we obtain a Χ 2 /datum of roughly 1.3 for a set of three models characterized by long- and short-range cutoffs, R L and R S respectively, ranging from (R L,R S)=(1.2,0.8) fm down to (0.8,0.6) fm. The long-range (short-range) cutoff regularizes the one- and two-pion exchange (contact) part of the potential.« less

Correlated bursts and the role of memory range

NASA Astrophysics Data System (ADS)

Jo, Hang-Hyun; Perotti, Juan I.; Kaski, Kimmo; Kertész, János

2015-08-01

Inhomogeneous temporal processes in natural and social phenomena have been described by bursts that are rapidly occurring events within short time periods alternating with long periods of low activity. In addition to the analysis of heavy-tailed interevent time distributions, higher-order correlations between interevent times, called correlated bursts, have been studied only recently. As the underlying mechanism behind such correlated bursts is far from being fully understood, we devise a simple model for correlated bursts using a self-exciting point process with a variable range of memory. Whether a new event occurs is stochastically determined by a memory function that is the sum of decaying memories of past events. In order to incorporate the noise and/or limited memory capacity of systems, we apply two memory loss mechanisms: a fixed number or a variable number of memories. By analysis and numerical simulations, we find that too much memory effect may lead to a Poissonian process, implying that there exists an intermediate range of memory effect to generate correlated bursts comparable to empirical findings. Our conclusions provide a deeper understanding of how long-range memory affects correlated bursts.

Phase diagram of the underdoped cuprates at high magnetic field

NASA Astrophysics Data System (ADS)

Chakraborty, Debmalya; Morice, Corentin; Pépin, Catherine

2018-06-01

The experimentally measured phase diagram of cuprate superconductors in the temperature-applied magnetic field plane illuminates key issues in understanding the physics of these materials. At low temperature, the superconducting state gives way to a long-range charge order with increasing magnetic field; both the orders coexist in a small intermediate region. The charge order transition is strikingly insensitive to temperature and quickly reaches a transition temperature close to the zero-field superconducting Tc. We argue that such a transition along with the presence of the coexisting phase is difficult to obtain in a weak coupling competing orders formalism. We demonstrate that for some range of parameters there is an enlarged symmetry of the strongly coupled charge and superconducting orders in the system depending on their relative masses and the coupling strength of the two orders. We establish that this sharp switch from the superconducting phase to the charge order phase can be understood in the framework of a composite SU(2) order parameter comprising the charge and superconducting orders. Finally, we illustrate that there is a possibility of the coexisting phase of the competing charge and superconducting orders only when the SU(2) symmetry between them is weakly broken due to biquadratic terms in the free energy. The relation of this sharp transition to the proximity to the pseudogap quantum critical doping is also discussed.

Biogenic mixing induced by intermediate Reynolds number swimming in stratified fluids

PubMed Central

Wang, Shiyan; Ardekani, Arezoo M.

2015-01-01

We study fully resolved motion of interacting swimmers in density stratified fluids using an archetypal swimming model called “squirmer”. The intermediate Reynolds number regime is particularly important, because the vast majority of organisms in the aphotic ocean (i.e. regions that are 200 m beneath the sea surface) are small (mm-cm) and their motion is governed by the balance of inertial and viscous forces. Our study shows that the mixing efficiency and the diapycnal eddy diffusivity, a measure of vertical mass flux, within a suspension of squirmers increases with Reynolds number. The mixing efficiency is in the range of O(0.0001–0.04) when the swimming Reynolds number is in the range of O(0.1–100). The values of diapycnal eddy diffusivity and Cox number are two orders of magnitude larger for vertically swimming cells compared to horizontally swimming cells. For a suspension of squirmers in a decaying isotropic turbulence, we find that the diapycnal eddy diffusivity enhances due to the strong viscous dissipation generated by squirmers as well as the interaction of squirmers with the background turbulence. PMID:26628288

Biogenic mixing induced by intermediate Reynolds number swimming in stratified fluids.

PubMed

Wang, Shiyan; Ardekani, Arezoo M

2015-12-02

We study fully resolved motion of interacting swimmers in density stratified fluids using an archetypal swimming model called "squirmer". The intermediate Reynolds number regime is particularly important, because the vast majority of organisms in the aphotic ocean (i.e. regions that are 200 m beneath the sea surface) are small (mm-cm) and their motion is governed by the balance of inertial and viscous forces. Our study shows that the mixing efficiency and the diapycnal eddy diffusivity, a measure of vertical mass flux, within a suspension of squirmers increases with Reynolds number. The mixing efficiency is in the range of O(0.0001-0.04) when the swimming Reynolds number is in the range of O(0.1-100). The values of diapycnal eddy diffusivity and Cox number are two orders of magnitude larger for vertically swimming cells compared to horizontally swimming cells. For a suspension of squirmers in a decaying isotropic turbulence, we find that the diapycnal eddy diffusivity enhances due to the strong viscous dissipation generated by squirmers as well as the interaction of squirmers with the background turbulence.

Changes in the Coherent Dynamics of Nanoconfined Room Temperature Ionic Liquids

NASA Astrophysics Data System (ADS)

Vallejo, Kevin; Cano, Melissa; Li, Song; Rotner, Gernot; Faraone, Antonio; Banuelos, Jose

Confinement and temperature effects on the coherent dynamics of the room temperature ionic liquid (RTIL) [C10MPy+] [Tf2N-] were investigated using neutron spin-echo (NSE) in two silica matrices with different pore size. Several intermolecular forces give rise to the bulk molecular structure between anions and cations. NSE provided dynamics (via the coherent intermediate scattering function) in the time range of 0.004 to 10 ns, and at Q-values corresponding to intermediate range ordering and inter- and intra-molecular length scales of the RTIL. Pore wall effects were delineated by comparing bulk RTIL dynamics with those of the confined fluid in 2.8 nm and 8 nm pores. Analytical models were applied to the experimental data to extract decay times and amplitudes of each component. We find a fast relaxation outside the experiment time window, a primary relaxation, and slow, surface-induced dynamics, which all speed up with increased temperature, however, the temperature dependence differs between bulk and confinement. This study sheds light on the structure and dynamics of RTILs and is relevant to the optimization of RTILs for green technologies and applications.

Optimized equation of the state of the square-well fluid of variable range based on a fourth-order free-energy expansion.

PubMed

Espíndola-Heredia, Rodolfo; del Río, Fernando; Malijevsky, Anatol

2009-01-14

The free energy of square-well (SW) systems of hard-core diameter sigma with ranges 1 < or = lambda < or = 3 is expanded in a perturbation series. This interval covers most ranges of interest, from short-ranged SW fluids (lambda approximately 1.2) used in modeling colloids to long ranges (lambda approximately 3) where the van der Waals classic approximation holds. The first four terms are evaluated by means of extensive Monte Carlo simulations. The calculations are corrected for the thermodynamic limit and care is taken to evaluate and to control the various sources of error. The results for the first two terms in the series confirm well-known independent results but have an increased estimated accuracy and cover a wider set of well ranges. The results for the third- and fourth-order terms are novel. The free-energy expansion for systems with short and intermediate ranges, 1 < or = lambda < or = 2, is seen to have properties similar to those of systems with longer ranges, 2 < or = lambda < or = 3. An equation of state (EOS) is built to represent the free-energy data. The thermodynamics given by this EOS, confronted against independent computer simulations, is shown to predict accurately the internal energy, pressure, specific heat, and chemical potential of the SW fluids considered and for densities 0 < or = rho sigma(3) < or = 0.9 including subcritical temperatures. This fourth-order theory is estimated to be accurate except for a small region at high density, rho sigma(3) approximately 0.9, and low temperature where terms of still higher order might be needed.

Exploring between the extremes: conversion-dependent kinetics of phosphite-modified hydroformylation catalysis.

PubMed

Kubis, Christoph; Selent, Detlef; Sawall, Mathias; Ludwig, Ralf; Neymeyr, Klaus; Baumann, Wolfgang; Franke, Robert; Börner, Armin

2012-07-09

The kinetics of the hydroformylation of 3,3-dimethyl-1-butene with a rhodium monophosphite catalyst has been studied in detail. Time-dependent concentration profiles covering the entire olefin conversion range were derived from in situ high-pressure FTIR spectroscopic data for both, pure organic components and catalytic intermediates. These profiles fit to Michaelis-Menten-type kinetics with competitive and uncompetitive side reactions involved. The characteristics found for the influence of the hydrogen concentration verify that the pre-equilibrium towards the catalyst substrate complex is not established. It has been proven experimentally that the hydrogenolysis of the intermediate acyl complex remains rate limiting even at high conversions when the rhodium hydride is the predominant resting state and the reaction is nearly of first order with respect to the olefin. Results from in situ FTIR and high-pressure (HP) NMR spectroscopy and from DFT calculations support the coordination of only one phosphite ligand in the dominating intermediates and a preferred axial position of the phosphite in the electronically saturated, trigonal bipyramidal (tbp)-structured acyl rhodium complex. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Classical and quantum filaments in the ground state of trapped dipolar Bose gases

NASA Astrophysics Data System (ADS)

Cinti, Fabio; Boninsegni, Massimo

2017-07-01

We study, by quantum Monte Carlo simulations, the ground state of a harmonically confined dipolar Bose gas with aligned dipole moments and with the inclusion of a repulsive two-body potential of varying range. Two different limits can clearly be identified, namely, a classical one in which the attractive part of the dipolar interaction dominates and the system forms an ordered array of parallel filaments and a quantum-mechanical one, wherein filaments are destabilized by zero-point motion, and eventually the ground state becomes a uniform cloud. The physical character of the system smoothly evolves from classical to quantum mechanical as the range of the repulsive two-body potential increases. An intermediate regime is observed in which ordered filaments are still present, albeit forming different structures from the ones predicted classically; quantum-mechanical exchanges of indistinguishable particles across different filaments allow phase coherence to be established, underlying a global superfluid response.

Structural correlation of the chalcogenide Ge40Se60 glass

NASA Astrophysics Data System (ADS)

Moharram, A. H.

2017-01-01

Binary Ge40Se60 glass was prepared using the melt-quench technique. The total structure factors, S( K), are obtained using the X-ray diffraction in the wave vector interval 0.28 ≤ K ≤ 6.5 Å-1. The appearance of the first sharp diffraction peak (FSDP) in the structure factor indicates the presence of the intermediate range order. Radial distribution functions, RDF( r), have been obtained using either the conventional (Fourier) transformation or the Monte Carlo simulation of the experimental X-ray data. The short range order parameters deduced from the Monte Carlo total correlation, T( r), functions are better than those obtained from the conventional (Fourier) T( r) data. Gaussian analyses of the total correlation function show that Ge2(Se1/2)6 molecular units are the basic structural units for the investigated Ge40Se60 glass.

Disentangling neighbors and extended range density oscillations in monatomic amorphous semiconductors.

PubMed

Roorda, S; Martin, C; Droui, M; Chicoine, M; Kazimirov, A; Kycia, S

2012-06-22

High energy x-ray diffraction measurements of pure amorphous Ge were made and its radial distribution function (RDF) was determined at high resolution, revealing new information on the atomic structure of amorphous semiconductors. Fine structure in the second peak in the RDF provides evidence that a fraction of third neighbors are closer than some second neighbors; taking this into account leads to a narrow distribution of tetrahedral bond angles, (8.5 ± 0.1)°. A small peak which appears near 5 Å upon thermal annealing shows that some ordering in the dihedral bond-angle distribution takes place during structural relaxation. Extended range order is detected (in both a-Ge and a-Si) which persists to beyond 20 Å, and both the periodicity and its decay length increase upon thermal annealing. Previously, the effect of structural relaxation was only detected at intermediate range, involving reduced tetrahedral bond-angle distortions. These results enhance our understanding of the atomic order in continuous random networks and place significantly more stringent requirements on computer models intending to describe these networks, or their alternatives which attempt to describe the structure in terms of an arrangement of paracrystals.

A two-step spin crossover mononuclear iron(II) complex with a [HS-LS-LS] intermediate phase.

PubMed

Bonnet, Sylvestre; Siegler, Maxime A; Costa, José Sánchez; Molnár, Gábor; Bousseksou, Azzedine; Spek, Anthony L; Gamez, Patrick; Reedijk, Jan

2008-11-21

The two-step spin crossover of a new mononuclear iron(ii) complex is studied by magnetic, crystallographic and calorimetric methods revealing two successive first-order phase transitions and an ordered intermediate phase built by the repetition of the unprecedented [HS-LS-LS] motif.

Cooperative magnetic behaviour in the new valence fluctuating compound Ce2Rh3Ge

NASA Astrophysics Data System (ADS)

Falkowski, M.; Strydom, A. M.

2015-10-01

In this study we report the physical properties of the new ternary compound Ce2Rh3Ge that crystallizes in the rhombohedral, triple hexagonal MgCu2-type of structure. The electronic ground state properties of Ce2Rh3Ge were characterized by magnetic susceptibility, specific heat, electrical resistivity and thermal transport measurements. The results indicate the presence of short range magnetic interaction, probably of ferromagnetic origin below T C  =  4 K. The shape of χ -1(T) deviates from the Curie-Weiss behavior with a broad minimum at about T\\min{{χ-1}}   =  450 K reminiscent of valence fluctuating cerium systems. At T  =  10 K, the magnetic part of the resistivity ρ 4 f (T) exhibits a shallow minimum followed by increase of resistivity ρ(T) \\propto   -lnT, which hints at a substantial Kondo screening effect. Ce2Rh3Ge belongs to a small group of strongly correlated cerium compounds in which the two competing effects of Kondo and RKKY interactions produce long-range magnetic order from strongly hybridized and intermediate-valent 4 f spins. At sufficiently low temperatures Ce2Rh3Ge scales well with the Kadowaki-Woods ratio A/γ 2 and the value of the Wilson ratio χ(T  →  0)/γ found for this compound classifies it as a mixed-valence compound. The presence of valence fluctuation and magnetic order it is rare for these attributes to be found simultaneously in same compound, in same temperature range. In our opinion a novelty of presented results of Ce2Rh3Ge is that this compound adds a new member to a small but growing class of systems bearing a strongly mixed- or intermediate-valent 4 f magnetic moment, but in which the lattice of spins nevertheless end up finding it possible to order magnetically.

Kinetic theory of turbulence for parallel propagation revisited: Low-to-intermediate frequency regime

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

Yoon, Peter H., E-mail: yoonp@umd.edu; School of Space Research, Kyung Hee University, Yongin, Gyeonggi 446-701

2015-09-15

A previous paper [P. H. Yoon, “Kinetic theory of turbulence for parallel propagation revisited: Formal results,” Phys. Plasmas 22, 082309 (2015)] revisited the second-order nonlinear kinetic theory for turbulence propagating in directions parallel/anti-parallel to the ambient magnetic field, in which the original work according to Yoon and Fang [Phys. Plasmas 15, 122312 (2008)] was refined, following the paper by Gaelzer et al. [Phys. Plasmas 22, 032310 (2015)]. The main finding involved the dimensional correction pertaining to discrete-particle effects in Yoon and Fang's theory. However, the final result was presented in terms of formal linear and nonlinear susceptibility response functions. Inmore » the present paper, the formal equations are explicitly written down for the case of low-to-intermediate frequency regime by making use of approximate forms for the response functions. The resulting equations are sufficiently concrete so that they can readily be solved by numerical means or analyzed by theoretical means. The derived set of equations describe nonlinear interactions of quasi-parallel modes whose frequency range covers the Alfvén wave range to ion-cyclotron mode, but is sufficiently lower than the electron cyclotron mode. The application of the present formalism may range from the nonlinear evolution of whistler anisotropy instability in the high-beta regime, and the nonlinear interaction of electrons with whistler-range turbulence.« less

The Compressed Baryonic Matter experiment at FAIR

NASA Astrophysics Data System (ADS)

Höhne, Claudia

2018-02-01

The CBM experiment will investigate highly compressed baryonic matter created in A+A collisions at the new FAIR research center. With a beam energy range up to 11 AGeV for the heaviest nuclei at the SIS 100 accelerator, CBM will investigate the QCD phase diagram in the intermediate range, i.e. at moderate temperatures but high net-baryon densities. This intermediate range of the QCD phase diagram is of particular interest, because a first order phase transition ending in a critical point and possibly new highdensity phases of strongly interacting matter are expected. In this range of the QCD phase diagram only exploratory measurements have been performed so far. CBM, as a next generation, high-luminosity experiment, will substantially improve our knowledge of matter created in this region of the QCD phase diagram and characterize its properties by measuring rare probes such as multi-strange hyperons, dileptons or charm, but also with event-by-event fluctuations of conserved quantities, and collective flow of identified particles. The experimental preparations with special focus on hadronic observables and strangeness is presented in terms of detector development, feasibility studies and fast track reconstruction. Preparations are progressing well such that CBM will be ready with FAIR start. As quite some detectors are ready before, they will be used as upgrades or extensions of already running experiments allowing for a rich physics program prior to FAIR start.

Memory and long-range correlations in chess games

NASA Astrophysics Data System (ADS)

Schaigorodsky, Ana L.; Perotti, Juan I.; Billoni, Orlando V.

2014-01-01

In this paper we report the existence of long-range memory in the opening moves of a chronologically ordered set of chess games using an extensive chess database. We used two mapping rules to build discrete time series and analyzed them using two methods for detecting long-range correlations; rescaled range analysis and detrended fluctuation analysis. We found that long-range memory is related to the level of the players. When the database is filtered according to player levels we found differences in the persistence of the different subsets. For high level players, correlations are stronger at long time scales; whereas in intermediate and low level players they reach the maximum value at shorter time scales. This can be interpreted as a signature of the different strategies used by players with different levels of expertise. These results are robust against the assignation rules and the method employed in the analysis of the time series.

Liquid crystalline tactoids: ordered structure, defective coalescence and evolution in confined geometries

NASA Astrophysics Data System (ADS)

Wang, Pei-Xi; MacLachlan, Mark J.

2017-12-01

Tactoids are liquid crystalline microdroplets that spontaneously nucleate from isotropic dispersions, and transform into macroscopic anisotropic phases. These intermediate structures have been found in a range of molecular, polymeric and colloidal liquid crystals. Typically only studied by polarized optical microscopy, these ordered but easily deformable microdroplets are now emerging as interesting components for structural investigations and developing new materials. In this review, we highlight the structure, property and transformation of tactoids in different compositions, but especially cellulose nanocrystals. We have selected references that illustrate the diversity and most exciting developments in tactoid research, while capturing the historical development of this field. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

A review of neosporosis and pathologic findings of Neospora caninum infection in wildlife

PubMed Central

Donahoe, Shannon L.; Lindsay, Scott A.; Krockenberger, Mark; Phalen, David; Šlapeta, Jan

2015-01-01

Neospora caninum is an apicomplexan parasite that is the etiologic agent of neosporosis, a devastating infectious disease regarded as a major cause of reproductive loss in cattle and neuromuscular disease in dogs worldwide. This protozoan pathogen is maintained in the environment by a heteroxenous life cycle that involves a definitive canid host and a wide range of intermediate hosts. In recent years, a number of wildlife species have been investigated for their possible involvement in the N. caninum life cycle and many have been implicated as intermediate hosts. However, in many instances these studies have utilized serological and molecular techniques to detect infection in clinically normal animals, and investigation of possible associated morbidity, mortality, and pathology has been neglected. As such, the occurrence and importance of Neospora-associated disease in wildlife species are unknown. In order to improve our understanding of the significance of N. caninum infection in nondomestic species, the present review provides an up-to-date summary of clinical neosporosis and N. caninum-associated pathologic lesions in naturally and experimentally infected wildlife species. We provide a list of all free-ranging and captive wildlife species identified with N. caninum infection to date using currently available diagnostic tools. The advantages and disadvantages of diagnostic methods in wildlife are addressed in order to recommend optimal diagnosis of confirming N. caninum infection and neosporosis in nondomestic species. Although current data would suggest that N. caninum infection does not adversely impact wildlife populations, there is a need for greater international uniformity in the diagnosis of N. caninum infection and neosporosis in nondomestic species in order to assess the true consequences of parasite infection. PMID:25973393

Probing New Long-Range Interactions by Isotope Shift Spectroscopy

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

Berengut, Julian C.; Budker, Dmitry; Delaunay, Cédric

We explore a method to probe new long- and intermediate-range interactions using precision atomic isotope shift spectroscopy. We develop a formalism to interpret linear King plots as bounds on new physics with minimal theory inputs. We focus only on bounding the new physics contributions that can be calculated independently of the standard model nuclear effects. We apply our method to existing Ca + data and project its sensitivity to conjectured new bosons with spin-independent couplings to the electron and the neutron using narrow transitions in other atoms and ions, specifically, Sr and Yb. Future measurements are expected to improve themore » relative precision by 5 orders of magnitude, and they can potentially lead to an unprecedented sensitivity for bosons within the 0.3 to 10 MeV mass range.« less

Probing New Long-Range Interactions by Isotope Shift Spectroscopy.

PubMed

Berengut, Julian C; Budker, Dmitry; Delaunay, Cédric; Flambaum, Victor V; Frugiuele, Claudia; Fuchs, Elina; Grojean, Christophe; Harnik, Roni; Ozeri, Roee; Perez, Gilad; Soreq, Yotam

2018-03-02

We explore a method to probe new long- and intermediate-range interactions using precision atomic isotope shift spectroscopy. We develop a formalism to interpret linear King plots as bounds on new physics with minimal theory inputs. We focus only on bounding the new physics contributions that can be calculated independently of the standard model nuclear effects. We apply our method to existing Ca^{+} data and project its sensitivity to conjectured new bosons with spin-independent couplings to the electron and the neutron using narrow transitions in other atoms and ions, specifically, Sr and Yb. Future measurements are expected to improve the relative precision by 5 orders of magnitude, and they can potentially lead to an unprecedented sensitivity for bosons within the 0.3 to 10 MeV mass range.

Probing New Long-Range Interactions by Isotope Shift Spectroscopy

DOE PAGES

Berengut, Julian C.; Budker, Dmitry; Delaunay, Cédric; ...

2018-02-26

We explore a method to probe new long- and intermediate-range interactions using precision atomic isotope shift spectroscopy. We develop a formalism to interpret linear King plots as bounds on new physics with minimal theory inputs. We focus only on bounding the new physics contributions that can be calculated independently of the standard model nuclear effects. We apply our method to existing Ca + data and project its sensitivity to conjectured new bosons with spin-independent couplings to the electron and the neutron using narrow transitions in other atoms and ions, specifically, Sr and Yb. Future measurements are expected to improve themore » relative precision by 5 orders of magnitude, and they can potentially lead to an unprecedented sensitivity for bosons within the 0.3 to 10 MeV mass range.« less

Glyoxal Oxidation Mechanism: Implications for the Reactions HCO + O2 and OCHCHO + HO2.

PubMed

Faßheber, Nancy; Friedrichs, Gernot; Marshall, Paul; Glarborg, Peter

2015-07-16

A detailed mechanism for the thermal decomposition and oxidation of the flame intermediate glyoxal (OCHCHO) has been assembled from available theoretical and experimental literature data. The modeling capabilities of this extensive mechanism have been tested by simulating experimental HCO profiles measured at intermediate and high temperatures in previous glyoxal photolysis and pyrolysis studies. Additionally, new experiments on glyoxal pyrolysis and oxidation have been performed with glyoxal and glyoxal/oxygen mixtures in Ar behind shock waves at temperatures of 1285-1760 K at two different total density ranges. HCO concentration-time profiles have been detected by frequency modulation spectroscopy at a wavelength of λ = 614.752 nm. The temperature range of available direct rate constant data of the high-temperature key reaction HCO + O2 → CO + HO2 has been extended up to 1705 K and confirms a temperature dependence consistent with a dominating direct abstraction channel. Taking into account available literature data obtained at lower temperatures, the following rate constant expression is recommended over the temperature range 295 K < T < 1705 K: k1/(cm(3) mol(-1) s(-1)) = 6.92 × 10(6) × T(1.90) × exp(+5.73 kJ/mol/RT). At intermediate temperatures, the reaction OCHCHO + HO2 becomes more important. A detailed reanalysis of previous experimental data as well as more recent theoretical predictions favor the formation of a recombination product in contrast to the formerly assumed dominating and fast OH-forming channel. Modeling results of the present study support the formation of HOCH(OO)CHO and provide a 2 orders of magnitude lower rate constant estimate for the OH channel. Hence, low-temperature generation of chain carriers has to be attributed to secondary reactions of HOCH(OO)CHO.

Intermediate visual acuity of presbyopic individuals with and without distance and bifocal lens corrections.

DOT National Transportation Integrated Search

1977-03-01

Visual acuity was determined at the intermediate range for older individuals with various combinations of ocular refractive error (nine subcategories) and accommodative power (three subcategories). Subjects (N=249) read numerals ranging in size to me...

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

Ren, Jingli; Chen, Cun; Wang, Gang

This study explores the temporal scaling behavior induced shear-branching structure in response to variant temperatures and strain rates during plastic deformation of Zr-based bulk metallic glass (BMG). The data analysis based on the compression tests suggests that there are two states of shear-branching structures: the fractal structure with a long-range order at an intermediate temperature of 223 K and a larger strain rate of 2.5 × 10 –2 s –1; the disordered structure dominated at other temperature and strain rate. It can be deduced from the percolation theory that the compressive ductility, ec, can reach the maximum value at themore » intermediate temperature. Furthermore, a dynamical model involving temperature is given for depicting the shear-sliding process, reflecting the plastic deformation has fractal structure at the temperature of 223 K and strain rate of 2.5 × 10 –2 s –1.« less

Pathways for virus assembly around nucleic acids

PubMed Central

Perlmutter, Jason D; Perkett, Matthew R

2014-01-01

Understanding the pathways by which viral capsid proteins assemble around their genomes could identify key intermediates as potential drug targets. In this work we use computer simulations to characterize assembly over a wide range of capsid protein-protein interaction strengths and solution ionic strengths. We find that assembly pathways can be categorized into two classes, in which intermediates are either predominantly ordered or disordered. Our results suggest that estimating the protein-protein and the protein-genome binding affinities may be sufficient to predict which pathway occurs. Furthermore, the calculated phase diagrams suggest that knowledge of the dominant assembly pathway and its relationship to control parameters could identify optimal strategies to thwart or redirect assembly to block infection. Finally, analysis of simulation trajectories suggests that the two classes of assembly pathways can be distinguished in single molecule fluorescence correlation spectroscopy or bulk time resolved small angle x-ray scattering experiments. PMID:25036288

Interfacial Metal-Oxide Interactions in Resistive Switching Memories.

PubMed

Cho, Deok-Yong; Luebben, Michael; Wiefels, Stefan; Lee, Kug-Seung; Valov, Ilia

2017-06-07

Metal oxides are commonly used as electrolytes for redox-based resistive switching memories. In most cases, non-noble metals are directly deposited as ohmic electrodes. We demonstrate that irrespective of bulk thermodynamics predictions an intermediate oxide film a few nanometers in thickness is always formed at the metal/insulator interface, and this layer significantly contributes to the development of reliable switching characteristics. We have tested metal electrodes and metal oxides mostly used for memristive devices, that is, Ta, Hf, and Ti and Ta 2 O 5 , HfO 2 , and SiO 2 . Intermediate oxide layers are always formed at the interfaces, whereas only the rate of the electrode oxidation depends on the oxygen affinity of the metal and the chemical stability of the oxide matrix. Device failure is associated with complete transition of short-range order to a more disordered main matrix structure.

Mass production of shaped particles through vortex ring freezing

NASA Astrophysics Data System (ADS)

An, Duo; Warning, Alex; Yancey, Kenneth G.; Chang, Chun-Ti; Kern, Vanessa R.; Datta, Ashim K.; Steen, Paul H.; Luo, Dan; Ma, Minglin

2016-08-01

A vortex ring is a torus-shaped fluidic vortex. During its formation, the fluid experiences a rich variety of intriguing geometrical intermediates from spherical to toroidal. Here we show that these constantly changing intermediates can be `frozen' at controlled time points into particles with various unusual and unprecedented shapes. These novel vortex ring-derived particles, are mass-produced by employing a simple and inexpensive electrospraying technique, with their sizes well controlled from hundreds of microns to millimetres. Guided further by theoretical analyses and a laminar multiphase fluid flow simulation, we show that this freezing approach is applicable to a broad range of materials from organic polysaccharides to inorganic nanoparticles. We demonstrate the unique advantages of these vortex ring-derived particles in several applications including cell encapsulation, three-dimensional cell culture, and cell-free protein production. Moreover, compartmentalization and ordered-structures composed of these novel particles are all achieved, creating opportunities to engineer more sophisticated hierarchical materials.

Energetics of a uranothorite (Th 1–xU xSiO 4) solid solution

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

Guo, Xiaofeng; Szenknect, Stephanie; Mesbah, Adel

High-temperature oxide melt solution calorimetric measurements were completed to determine the enthalpies of formation of the uranothorite, (USiO 4) x–(ThSiO 4) 1–x, solid solution. Phase-pure samples with x values of 0, 0.11, 0.21, 0.35, 0.71, and 0.84 were prepared, purified, and characterized by powder X-ray diffraction, electron probe microanalysis, thermogravimetric analysis and differential scanning calorimetry coupled with in situ mass spectrometry, and high-temperature oxide melt solution calorimetry. This work confirms the energetic metastability of coffinite, USiO 4, and U-rich intermediate silicate phases with respect to a mixture of binary oxides. Furthermore, variations in unit cell parameters and negative excess volumesmore » of mixing, coupled with strongly exothermic enthalpies of mixing in the solid solution, suggest short-range cation ordering that can stabilize intermediate compositions, especially near x = 0.5.« less

Energetics of a uranothorite (Th 1–xU xSiO 4) solid solution

DOE PAGES

Guo, Xiaofeng; Szenknect, Stephanie; Mesbah, Adel; ...

2016-10-11

High-temperature oxide melt solution calorimetric measurements were completed to determine the enthalpies of formation of the uranothorite, (USiO 4) x–(ThSiO 4) 1–x, solid solution. Phase-pure samples with x values of 0, 0.11, 0.21, 0.35, 0.71, and 0.84 were prepared, purified, and characterized by powder X-ray diffraction, electron probe microanalysis, thermogravimetric analysis and differential scanning calorimetry coupled with in situ mass spectrometry, and high-temperature oxide melt solution calorimetry. This work confirms the energetic metastability of coffinite, USiO 4, and U-rich intermediate silicate phases with respect to a mixture of binary oxides. Furthermore, variations in unit cell parameters and negative excess volumesmore » of mixing, coupled with strongly exothermic enthalpies of mixing in the solid solution, suggest short-range cation ordering that can stabilize intermediate compositions, especially near x = 0.5.« less

Orbital ordering-driven ferromagnetism in LaCoO3 nanowires

NASA Astrophysics Data System (ADS)

Wang, Yang; Fan, Hong Jin

2010-09-01

The structure and magnetic properties of LaCoO3 nanowires are investigated as a function of the diameter in the temperature range of 5-300 K. Ferromagnetism below 85 K is observed in these nanowires, in agreement with the recent observations in LaCoO3 epitaxial thin films and nanoparticles. With the diameter of nanowires decreasing, the unit-cell volume increases, while both the global and local structural distortions lessen, accompanied by the gradual enhancement of ferromagnetism. The structure analysis reveals that LaCoO3 nanowires exhibit a monoclinic distorted structure with I2/a space group in the entire investigated temperature range. Different from bulks, there is no clear spin-state transition occurring with temperature in LaCoO3 nanowires. There exists a noticeable Jahn-Teller (JT) distortion in the nanowires even at the lowest temperature, namely, orbital-ordered JT active Co3+ ions with intermediate-spin (IS) state persist at low temperatures, which is not observed in bulk LaCoO3. These results indicate that the ferromagnetism in the nanowires is driven by the orbital ordering of IS Co3+.

Self-organized colloidal quantum dots and metal nanoparticles for plasmon-enhanced intermediate-band solar cells.

PubMed

Mendes, Manuel J; Hernández, Estela; López, Esther; García-Linares, Pablo; Ramiro, Iñigo; Artacho, Irene; Antolín, Elisa; Tobías, Ignacio; Martí, Antonio; Luque, Antonio

2013-08-30

A colloidal deposition technique is presented to construct long-range ordered hybrid arrays of self-assembled quantum dots and metal nanoparticles. Quantum dots are promising for novel opto-electronic devices but, in most cases, their optical transitions of interest lack sufficient light absorption to provide a significant impact in their implementation. A potential solution is to couple the dots with localized plasmons in metal nanoparticles. The extreme confinement of light in the near-field produced by the nanoparticles can potentially boost the absorption in the quantum dots by up to two orders of magnitude.In this work, light extinction measurements are employed to probe the plasmon resonance of spherical gold nanoparticles in lead sulfide colloidal quantum dots and amorphous silicon thin-films. Mie theory computations are used to analyze the experimental results and determine the absorption enhancement that can be generated by the highly intense near-field produced in the vicinity of the gold nanoparticles at their surface plasmon resonance.The results presented here are of interest for the development of plasmon-enhanced colloidal nanostructured photovoltaic materials, such as colloidal quantum dot intermediate-band solar cells.

Hydrogeology of the surficial and intermediate aquifer systems in Sarasota and adjacent counties, Florida

USGS Publications Warehouse

Barr, G.L.

1996-01-01

From 1991 to 1995, the hydrogeology of the surficial aquifer system and the major permeable zones and confining units of the intermediate aquifer system in southwest Florida was studied. The study area is a 1,400-square-mile area that includes Sarasota County and parts of Manatee, De Soto, Charlotte, and Lee Counties. Lithologic, geophysical, hydraulic property, and water-level data were used to correlate the hydrogeology and map the extent of the aquifer systems. Water chemistry was evaluated in southwest Sarasota County to determine salinity of the surficial and intermediate aquifer systems. The surficial aquifer is an unconfined aquifer system that overlies the intermediate aquifer system and ranges from a few feet to over 60 feet in thickness in the study area. Hydraulic properties of the surficial aquifer system determined from aquifer and laboratory tests, and model simulations vary considerably across the study area. The intermediate aquifer system, a confined aquifer system that lies between the surficial and the Upper Floridan aquifers, is composed of alternating confining units and permeable zones. The intermediate aquifer system has three major permeable zones that exhibit a wide range of hydraulic properties. Horizontal flow in the intermediate aquifer system is northeast to southwest. Most of the study area is in a discharge area of the intermediate aquifer system. Water ranges naturally from fresh in the surficial aquifer system and upper permeable zones of the intermediate aquifer system to moderately saline in the lower permeable zone. Water-quality data collected in coastal southwest Sarasota County indicate that ground-water withdrawals from major pumping centers have resulted in lateral seawater intrusion and upconing into the surficial and intermediate aquifer systems.

Magnetic Ordering of Erbium and Uranium NICKEL(2) SILICON(2) by Neutron Scattering

NASA Astrophysics Data System (ADS)

Lin, Hong

The magnetic ordering has been studied in UNi _2Si_2 and erbium single crystals by elastic neutron scattering. Abundant results are given regarding the magnetic structure, magnetic phase transitions, and the effect of a magnetic field on these properties. Three ordered phases are observed in UNi _2Si_2. They have been determined to be an incommensurate longitudinal spin density wave with a magnetic wave vector around q = 0.74c ^* in the high temperature phase, a simple body-centred antiferromagnet in the intermediate temperature phase, and a square wave in the low temperature phase. This square wave can be viewed equivalently as a longitudinal spin density wave with q = 2/3c ^* superimposed on a ferromagnetic component. Hysteresis and sample dependence are observed in the low-temperature phase transition. The two lower temperature phase transitions are both first order. The transition to paramagnetism is second order with a critical exponent beta = 0.35 +/- 0.03. When a magnetic field is applied along the c axis, the intermediate temperature phase is destabilised and disappears above a field of 3.5T. Although there is no new phase induced by the field, there exists a reentrant point where the three ordered phases can coexist. Erbium has three distinct ordered phases: the cone phase at low temperatures, the c-axis modulated (CAM) phase at higher temperatures, and the intermediate phase with moments modulated both along c and perpendicular to c. Within these phases the modulation of the moments may lock in to the lattice. The observed weak harmonics of the wave vector q in the basal plane for the cone phase and the q = 1/4c^* structure in the intermediate phase can be explained by a basal-plane spin slip model. The effect of magnetic field along the c axis on the magnetic structure is to stabilise the cone phase and to destabilise the intermediate phase. A new lock-in structure with q = 1/4c^* in the cone phase is induced by fields above 1.8T. The presence of the field also stabilises the lock-in structure with q = 2/7c^* in both the intermediate and the CAM phases.

A Theoretical Probe for Excitation Mechanisms of Sun-like and Mira-like Oscillations of Stars

NASA Astrophysics Data System (ADS)

Xiong, Da-run; Deng, Li-cai

2013-01-01

The linear nonadiabatic oscillations for evolutionary models of 0.6- 3M8 stars are calculated by using a nonlocal and time-dependent convection theory. The results show that in the HR diagram the pulsation-unstable low- temperature stars on the right side of instability strip can be divided into two groups. One group indicates the Sun-like oscillation stars composed of the main- sequence dwarfs, sub-giants and red giants (RGs) of low and intermediate lu- minosities, which are unstable in the intermediate- and high-order (n ≥ 12) p- modes, and stable in the low-order (n ≤ 5) p-modes. Another group indicates the Mira-like stars composed of the bright RGs and asymptotic giant branch (AGB) stars, which are just contrary to Sun-like stars, unstable in low-order (n ≤ 5) p-modes and stable in the intermediate- and high-order (n ≥ 12) p-modes. The oscillations for the red edge of Cepheid (δ Scuti) instability strip, Sun-like and Mira-like stars can be explained uniformly by the coupling between convection and oscillation (CCO). For the low-temperature stars on the right side of in- stability strip, CCO is the dominant excitation and damping mechanism of the oscillations of low- and intermediate-order p-modes, and the turbulent stochas- tic excitation becomes important only for the high-order p-modes of Sun-like oscillations.

Projecting non-diffracting waves with intermediate-plane holography.

PubMed

Mondal, Argha; Yevick, Aaron; Blackburn, Lauren C; Kanellakopoulos, Nikitas; Grier, David G

2018-02-19

We introduce intermediate-plane holography, which substantially improves the ability of holographic trapping systems to project propagation-invariant modes of light using phase-only diffractive optical elements. Translating the mode-forming hologram to an intermediate plane in the optical train can reduce the need to encode amplitude variations in the field, and therefore complements well-established techniques for encoding complex-valued transfer functions into phase-only holograms. Compared to standard holographic trapping implementations, intermediate-plane holograms greatly improve diffraction efficiency and mode purity of propagation-invariant modes, and so increase their useful non-diffracting range. We demonstrate this technique through experimental realizations of accelerating modes and long-range tractor beams.

Weak arrest-like and field-driven first order magnetic phase transitions of itinerant Fe3Ga4 revealed by magnetization and magnetoresistance isotherms

NASA Astrophysics Data System (ADS)

Samatham, S. Shanmukharao; Suresh, K. G.

2017-01-01

The detailed magnetic study of complex 3d-electron based Fe3Ga4 is reported. It undergoes paramagnetic to antiferromagnetic (TN) and antiferromagnetic to ferromagnetic (TC) transitions respectively around 380 and 70 K. The thermal hysteresis of field-cooled cooling (FCC) and field-cooled warming (FCW) hints at first order phase transition below Curie temperature. A weak phase coexistence of ferro and antiferromagnetic phases is suggested by exploring the arrest-like first-order phenomenon. In the intermediate temperature range, field-driven metamagnetic transition from antiferro to ferromagnetic phase is confirmed. Further bringing the system very near to TN, field-induced transitions disappear and above TN predominant paramagnetic contribution is evident. The magnetic H-T phase diagram distinguishing different magnetic phases of Fe3Ga4 is obtained.

The dichotomy between strong and ultra-weak magnetic fields among intermediate-mass stars

NASA Astrophysics Data System (ADS)

Lignières, François; Petit, Pascal; Aurière, Michel; Wade, Gregg A.; Böhm, Torsten

2014-08-01

Until recently, the detection of magnetic fields at the surface of intermediate-mass main-sequence stars has been limited to Ap/Bp stars, a class of chemically peculiar stars. This class represents no more than 5-10% of the stars in this mass range. This small fraction is not explained by the fossil field paradigm that describes the Ap/Bp type magnetism as a remnant of an early phase of the star-life. Also, the limitation of the field measurements to a small and special group of stars is obviously a problem to study the effect of the magnetic fields on the stellar evolution of a typical intermediate-mass star. Thanks to the improved sensitivity of a new generation of spectropolarimeters, a lower bound to the magnetic fields of Ap/Bp stars, a two orders of magnitude desert in the longitudinal magnetic field and a new type of sub-gauss magnetism first discovered on Vega have been identified. These advances provide new clues to understand the origin of intermediate-mass magnetism as well as its influence on stellar evolution. In particular, a scenario has been proposed whereby the magnetic dichotomy between Ap/Bp and Vega-like magnetism originate from the bifurcation between stable and unstable large scale magnetic configurations in differentially rotating stars. In this paper, we review these recent observational findings and discuss this scenario.

Out-of-equilibrium dynamics of photoexcited spin-state concentration waves

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

Marino, Andrea; Buron-Le Cointe, M.; Lorenc, M.

2015-01-28

The spin crossover compound [Fe IIH 2L 2-Me][PF 6]2 presents a two-step phase transition. In the intermediate phase, a spin state concentration wave (SSCW) appears resulting from a symmetry breaking (cell doubling) associated with a long-range order of alternating high and low spin molecular states. Lastly, by combining time-resolved optical and X-ray diffraction measurements on a single crystal, we study how such a system responds to femtosecond laser excitation and we follow in real time the erasing and rewriting of the SSCW

Short, intermediate and mesoscopic range order in sulfur-rich binary glasses

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

Bychkov, E.; Miloshova, M.; Price, D.L.

2008-09-29

Pulsed neutron and high-energy X-ray diffraction, small-angle neutron scattering, Raman spectroscopy and DSC were used to study structural changes on the short, intermediate and mesoscopic range scale for sulfur-rich AsS{sub x} (x {ge} 1.5) and GeS{sub x} (x {ge} 2) glasses. Two structural regions were found in the both systems. (1) Between stoichiometric (As{sub 2}S{sub 3} and GeS{sub 2}) and 'saturated' (AsS{sub 2.2} and GeS{sub 2.7}) compositions, excessive sulfur atoms form sulfur dimers and/or short chains, replacing bridging sulfur in corner-sharing AsS{sub 3/2} and GeS{sub 4/2} units. (2) Above the 'saturated' compositions at [As] < 30.5 at.% and [Ge]

Computer simulation results for bounds on the effective conductivity of composite media

NASA Astrophysics Data System (ADS)

Smith, P. A.; Torquato, S.

1989-02-01

This paper studies the determination of third- and fourth-order bounds on the effective conductivity σe of a composite material composed of aligned, infinitely long, identical, partially penetrable, circular cylinders of conductivity σ2 randomly distributed throughout a matrix of conductivity σ1. Both bounds involve the microstructural parameter ζ2 which is a multifold integral that depends upon S3, the three-point probability function of the composite. This key integral ζ2 is computed (for the possible range of cylinder volume fraction φ2) using a Monte Carlo simulation technique for the penetrable-concentric-shell model in which cylinders are distributed with an arbitrary degree of impenetrability λ, 0≤λ≤1. Results for the limiting cases λ=0 (``fully penetrable'' or randomly centered cylinders) and λ=1 (``totally impenetrable'' cylinders) compare very favorably with theoretical predictions made by Torquato and Beasley [Int. J. Eng. Sci. 24, 415 (1986)] and by Torquato and Lado [Proc. R. Soc. London Ser. A 417, 59 (1988)], respectively. Results are also reported for intermediate values of λ: cases which heretofore have not been examined. For a wide range of α=σ2/σ1 (conductivity ratio) and φ2, the third-order bounds on σe significantly improve upon second-order bounds which just depend upon φ2. The fourth-order bounds are, in turn, narrower than the third-order bounds. Moreover, when the cylinders are highly conducting (α≫1), the fourth-order lower bound provides an excellent estimate of the effective conductivity for a wide range of volume fractions.

Providing effective and preferred care closer to home: a realist review of intermediate care.

PubMed

Pearson, Mark; Hunt, Harriet; Cooper, Chris; Shepperd, Sasha; Pawson, Ray; Anderson, Rob

2015-11-01

Intermediate care is one of the number of service delivery models intended to integrate care and provide enhanced health and social care services closer to home, especially to reduce reliance on acute care hospital beds. In order for health and social care practitioners, service managers and commissioners to make informed decisions, it is vital to understand how to implement the admission avoidance and early supported discharge components of intermediate care within the context of local care systems. This paper reports the findings of a theory-driven (realist) review conducted in 2011-2012. A broad range of evidence contained in 193 sources was used to construct a conceptual framework for intermediate care. This framework forms the basis for exploring factors at service user, professional and organisational levels that should be considered when designing and delivering intermediate care services within a particular local context. Our synthesis found that involving service users and their carers in collaborative decision-making about the objectives of care and the place of care is central to achieving the aims of intermediate care. This pivotal involvement of the service user relies on practitioners, service managers and commissioners being aware of the impact that organisational structures at the local level can have on enabling or inhibiting collaborative decision-making and care co-ordination. Through all interactions with service users and their care networks, health and social care professionals should establish the meaning which alternative care environments have for different service users. Doing so means decisions about the best place of care will be better informed and gives service users choice. This in turn is likely to support psychological and social stability, and the attainment of functional goals. At an organisational level, integrated working can facilitate the delivery of intermediate care, but there is not a straightforward relationship between integrated organisational processes and integrated professional practice. © 2015 John Wiley & Sons Ltd.

Contact area of rough spheres: Large scale simulations and simple scaling laws

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

Pastewka, Lars, E-mail: lars.pastewka@kit.edu; Department of Physics and Astronomy, Johns Hopkins University, 3400 North Charles Street, Baltimore, Maryland 21218; Robbins, Mark O., E-mail: mr@pha.jhu.edu

2016-05-30

We use molecular simulations to study the nonadhesive and adhesive atomic-scale contact of rough spheres with radii ranging from nanometers to micrometers over more than ten orders of magnitude in applied normal load. At the lowest loads, the interfacial mechanics is governed by the contact mechanics of the first asperity that touches. The dependence of contact area on normal force becomes linear at intermediate loads and crosses over to Hertzian at the largest loads. By combining theories for the limiting cases of nominally flat rough surfaces and smooth spheres, we provide parameter-free analytical expressions for contact area over the wholemore » range of loads. Our results establish a range of validity for common approximations that neglect curvature or roughness in modeling objects on scales from atomic force microscope tips to ball bearings.« less

Thermal algebraic-decay charge liquid driven by competing short-range Coulomb repulsion

NASA Astrophysics Data System (ADS)

Kaneko, Ryui; Nonomura, Yoshihiko; Kohno, Masanori

2018-05-01

We explore the possibility of a Berezinskii-Kosterlitz-Thouless-like critical phase for the charge degrees of freedom in the intermediate-temperature regime between the charge-ordered and disordered phases in two-dimensional systems with competing short-range Coulomb repulsion. As the simplest example, we investigate the extended Hubbard model with on-site and nearest-neighbor Coulomb interactions on a triangular lattice at half filling in the atomic limit by using a classical Monte Carlo method, and find a critical phase, characterized by algebraic decay of the charge correlation function, belonging to the universality class of the two-dimensional XY model with a Z6 anisotropy. Based on the results, we discuss possible conditions for the critical phase in materials.

Initial Assessment of U.S. Refineries for Purposes of Potential Bio-Based Oil Insertions

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

Freeman, Charles J.; Jones, Susanne B.; Padmaperuma, Asanga B.

2013-04-01

In order to meet U.S. biofuel objectives over the coming decade the conversion of a broad range of biomass feedstocks, using diverse processing options, will be required. Further, the production of both gasoline and diesel biofuels will employ biomass conversion methods that produce wide boiling range intermediate oils requiring treatment similar to conventional refining processes (i.e. fluid catalytic cracking, hydrocracking, and hydrotreating). As such, it is widely recognized that leveraging existing U.S. petroleum refining infrastructure is key to reducing overall capital demands. This study examines how existing U.S. refining location, capacities and conversion capabilities match in geography and processing capabilitiesmore » with the needs projected from anticipated biofuels production.« less

Giant phonon anomaly associated with superconducting fluctuations in the pseudogap phase of cuprates

DOE PAGES

Liu, Ye-Hua; Konik, Robert M.; Rice, T. M.; ...

2016-01-20

The pseudogap in underdoped cuprates leads to significant changes in the electronic structure, and was later found to be accompanied by anomalous fluctuations of superconductivity and certain lattice phonons. Here we propose that the Fermi surface breakup due to the pseudogap, leads to a breakup of the pairing order into two weakly coupled sub-band amplitudes, and a concomitant low energy Leggett mode due to phase fluctuations between them. This increases the temperature range of superconducting fluctuations containing an overdamped Leggett mode. In this range inter-sub-band phonons show strong damping due to resonant scattering into an intermediate state with a pairmore » of overdamped Leggett modes. In the ordered state, the Leggett mode develops a finite energy, changing the anomalous phonon damping into an anomaly in the dispersion. Finally, this proposal explains the intrinsic connection between the anomalous pseudogap phase, enhanced superconducting fluctuations and giant anomalies in the phonon spectra.« less

Radiation sensitivity and EPR dosimetric potential of gallic acid and its esters

NASA Astrophysics Data System (ADS)

Tuner, Hasan; Oktay Bal, M.; Polat, Mustafa

2015-02-01

In the preset work the radiation sensitivities of Gallic Acid anhydrous and monohydrate, Octyl, Lauryl, and Ethyl Gallate (GA, GAm, OG, LG, and EG) were investigated in the intermediate (0.5-20 kGy) and low radiation (<10 Gy) dose range using Electron Paramagnetic Resonance (EPR) spectroscopy. While OG, LG, and EG are presented a singlet EPR spectra, their radiation sensitivity found to be very different in the intermediate dose range. At low radiation dose range (<10 Gy) only LG is found to be present a signal that easily distinguished from the noise signals. The intermediate and low dose range radiation sensitivities are compared using well known EPR dosimeter alanine. The radiation yields (G) of the interested material were found to be 1.34×10-2, 1.48×10-2, 4.14×10-2, and 6.03×10-2, 9.44×10-2 for EG, GA, GAm, OG, and LG, respectively at the intermediate dose range. It is found that the simple EPR spectra and the noticeable EPR signal of LG make it a promising dosimetric material to be used below 10 Gy of radiation dose.

Use of response surface methodology in a fed-batch process for optimization of tricarboxylic acid cycle intermediates to achieve high levels of canthaxanthin from Dietzia natronolimnaea HS-1.

PubMed

Nasri Nasrabadi, Mohammad Reza; Razavi, Seyed Hadi

2010-04-01

In this work, we applied statistical experimental design to a fed-batch process for optimization of tricarboxylic acid cycle (TCA) intermediates in order to achieve high-level production of canthaxanthin from Dietzia natronolimnaea HS-1 cultured in beet molasses. A fractional factorial design (screening test) was first conducted on five TCA cycle intermediates. Out of the five TCA cycle intermediates investigated via screening tests, alfaketoglutarate, oxaloacetate and succinate were selected based on their statistically significant (P<0.05) and positive effects on canthaxanthin production. These significant factors were optimized by means of response surface methodology (RSM) in order to achieve high-level production of canthaxanthin. The experimental results of the RSM were fitted with a second-order polynomial equation by means of a multiple regression technique to identify the relationship between canthaxanthin production and the three TCA cycle intermediates. By means of this statistical design under a fed-batch process, the optimum conditions required to achieve the highest level of canthaxanthin (13172 + or - 25 microg l(-1)) were determined as follows: alfaketoglutarate, 9.69 mM; oxaloacetate, 8.68 mM; succinate, 8.51 mM. Copyright 2009 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

A space mission to detect imminent Earth impactors

NASA Astrophysics Data System (ADS)

Valsecchi, G. B.; Perozzi, E.; Rossi, A.

2015-03-01

One of the goals of NEO surveys is to discover Earth impactors before they hit. How much warning time is desirable depends on the size of the impactors: for the larger ones more time is needed to mount effective mitigation measures. Initially, NEO surveys were aimed at large impactors, that can have significant global effects; however, their typical time scale is orders of magnitude larger than human lifetime. At the other extreme, monthly and annual events, liberating energies of the order of 1 to 10 kilotons, are immaterial as a threat to mankind, not justifying substantial expenditure on them. Intermediate events are of more concern: in the megatons range, timescales are of the order of centuries, and the damage can be substantial. A classical example is the Tunguska event, in which a body with a diameter of about 30 to 50 m liberated about 5 megatons in the atmosphere, devastating 2 000 square kilometers of Siberian forest.

Phase diagram of two-dimensional hard ellipses.

PubMed

Bautista-Carbajal, Gustavo; Odriozola, Gerardo

2014-05-28

We report the phase diagram of two-dimensional hard ellipses as obtained from replica exchange Monte Carlo simulations. The replica exchange is implemented by expanding the isobaric ensemble in pressure. The phase diagram shows four regions: isotropic, nematic, plastic, and solid (letting aside the hexatic phase at the isotropic-plastic two-step transition [E. P. Bernard and W. Krauth, Phys. Rev. Lett. 107, 155704 (2011)]). At low anisotropies, the isotropic fluid turns into a plastic phase which in turn yields a solid for increasing pressure (area fraction). Intermediate anisotropies lead to a single first order transition (isotropic-solid). Finally, large anisotropies yield an isotropic-nematic transition at low pressures and a high-pressure nematic-solid transition. We obtain continuous isotropic-nematic transitions. For the transitions involving quasi-long-range positional ordering, i.e., isotropic-plastic, isotropic-solid, and nematic-solid, we observe bimodal probability density functions. This supports first order transition scenarios.

Half-magnetization plateau in a Heisenberg antiferromagnet on a triangular lattice

NASA Astrophysics Data System (ADS)

Ye, Mengxing; Chubukov, Andrey V.

2017-10-01

We present the phase diagram of a 2D isotropic triangular Heisenberg antiferromagnet in a magnetic field. We consider spin-S model with nearest-neighbor (J1) and next-nearest-neighbor (J2) interactions. We focus on the range of 1 /8

Intermediate Temperature Water Heat Pipe Tests

NASA Technical Reports Server (NTRS)

Devarakonda, Angirasa; Xiong, Da-Xi; Beach, Duane E.

2005-01-01

Heat pipes are among the most promising technologies for space radiator systems. Water heat pipes are explored in the intermediate temperature range of 400 to above 500 K. The thermodynamic and thermo-physical properties of water are reviewed in this temperature range. Test data are reported for a copper-water heat pipe. The heat pipe was tested under different orientations. Water heat pipes show promise in this temperature range. Fabrication and testing issues are being addressed.

Observing in space and time the ephemeral nucleation of liquid-to-crystal phase transitions.

PubMed

Yoo, Byung-Kuk; Kwon, Oh-Hoon; Liu, Haihua; Tang, Jau; Zewail, Ahmed H

2015-10-19

The phase transition of crystalline ordering is a general phenomenon, but its evolution in space and time requires microscopic probes for visualization. Here we report direct imaging of the transformation of amorphous titanium dioxide nanofilm, from the liquid state, passing through the nucleation step and finally to the ordered crystal phase. Single-pulse transient diffraction profiles at different times provide the structural transformation and the specific degree of crystallinity (η) in the evolution process. It is found that the temporal behaviour of η exhibits unique 'two-step' dynamics, with a robust 'plateau' that extends over a microsecond; the rate constants vary by two orders of magnitude. Such behaviour reflects the presence of intermediate structure(s) that are the precursor of the ordered crystal state. Theoretically, we extend the well-known Johnson-Mehl-Avrami-Kolmogorov equation, which describes the isothermal process with a stretched-exponential function, but here over the range of times covering the melt-to-crystal transformation.

Kinetic intermediates of unfolding of dimeric prostatic phosphatase.

PubMed

Kuciel, Radosława; Mazurkiewicz, Aleksandra; Dudzik, Paulina

2007-01-01

Kinetics of guanidine hydrochloride (GdnHCl)-induced unfolding of human prostatic acid phosphatase (hPAP), a homodimer of 50 kDa subunit molecular mass was investigated with enzyme activity measurements, capacity for binding an external hydrophobic probe, 1-anilinonaphtalene-8-sulfonate (ANS), accessibility of thiols to reaction with 5,5'-dithiobis(2-nitrobenzoic acid) (DTNB) and 2-(4'-maleimidylanilino)naphthalene-6-sulfonate (MIANS) and ability to bind Congo red dye. Kinetic analysis was performed to describe a possible mechanism of hPAP unfolding and dissociation that leads to generation of an inactive monomeric intermediate that resembles, in solution of 1.25 M GdnHCl pH 7.5, at 20 degrees C, in equilibrium, a molten globule state. The reaction of hPAP inactivation in 1.25 M GdnHCl followed first order kinetics with the reaction rate constant 0.0715 +/- 0.0024 min(-1) . The rate constants of similar range were found for the pseudo-first-order reactions of ANS and Congo red binding: 0.0366 +/- 0.0018 min(-1) and 0.0409 +/- 0.0052 min(-1), respectively. Free thiol groups, inaccessible in the native protein, were gradually becoming, with the progress of unfolding, exposed for the reactions with DTNB and MIANS, with the pseudo-first-order reaction rate constants 0.327 +/- 0.014 min(-1) and 0.216 +/- 0.010 min(-1), respectively. The data indicated that in the course of hPAP denaturation exposure of thiol groups to reagents took place faster than the enzyme inactivation and exposure of the protein hydrophobic surface. This suggested the existence of a catalytically active, partially unfolded, but probably dimeric kinetic intermediate in the process of hPAP unfolding. On the other hand, the protein inactivation was accompanied by exposure of a hydrophobic, ANS-binding surface, and with an increased capacity to bind Congo red. Together with previous studies these results suggest that the stability of the catalytically active conformation of the enzyme depends mainly on the dimeric structure of the native hPAP.

Nucleation of ordered solid phases of proteins via a disordered high-density state: Phenomenological approach

NASA Astrophysics Data System (ADS)

Pan, Weichun; Kolomeisky, Anatoly B.; Vekilov, Peter G.

2005-05-01

Nucleation of ordered solid phases of proteins triggers numerous phenomena in laboratory, industry, and in healthy and sick organisms. Recent simulations and experiments with protein crystals suggest that the formation of an ordered crystalline nucleus is preceded by a disordered high-density cluster, akin to a droplet of high-density liquid that has been observed with some proteins; this mechanism allowed a qualitative explanation of recorded complex nucleation kinetics curves. Here, we present a simple phenomenological theory that takes into account intermediate high-density metastable states in the nucleation process. Nucleation rate data at varying temperature and protein concentration are reproduced with high fidelity using literature values of the thermodynamic and kinetic parameters of the system. Our calculations show that the growth rate of the near-critical and supercritical ordered clusters within the dense intermediate is a major factor for the overall nucleation rate. This highlights the role of viscosity within the dense intermediate for the formation of the ordered nucleus. The model provides an understanding of the action of additives that delay or accelerate nucleation and presents a framework within which the nucleation of other ordered protein solid phases, e.g., the sickle cell hemoglobin polymers, can be analyzed.

Statistical scaling of pore-scale Lagrangian velocities in natural porous media.

PubMed

Siena, M; Guadagnini, A; Riva, M; Bijeljic, B; Pereira Nunes, J P; Blunt, M J

2014-08-01

We investigate the scaling behavior of sample statistics of pore-scale Lagrangian velocities in two different rock samples, Bentheimer sandstone and Estaillades limestone. The samples are imaged using x-ray computer tomography with micron-scale resolution. The scaling analysis relies on the study of the way qth-order sample structure functions (statistical moments of order q of absolute increments) of Lagrangian velocities depend on separation distances, or lags, traveled along the mean flow direction. In the sandstone block, sample structure functions of all orders exhibit a power-law scaling within a clearly identifiable intermediate range of lags. Sample structure functions associated with the limestone block display two diverse power-law regimes, which we infer to be related to two overlapping spatially correlated structures. In both rocks and for all orders q, we observe linear relationships between logarithmic structure functions of successive orders at all lags (a phenomenon that is typically known as extended power scaling, or extended self-similarity). The scaling behavior of Lagrangian velocities is compared with the one exhibited by porosity and specific surface area, which constitute two key pore-scale geometric observables. The statistical scaling of the local velocity field reflects the behavior of these geometric observables, with the occurrence of power-law-scaling regimes within the same range of lags for sample structure functions of Lagrangian velocity, porosity, and specific surface area.

INF (Intermediate Range Nuclear Forces) Treaty and flexible response. Research report

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

Lewis, J.W.

1988-03-01

This paper examines how the Intermediate Range Nuclear Forces (INF) Treaty affects NATO's military strategy of flexible response. A discussion of flexible response strategy is provided as background for the reader. Then, relevant terms of the INF treaty are addressed followed by an assessment of the treaty's impact on the military strategy of the alliance.

Cleave and couple: toward fully sustainable catalytic conversion of lignocellulose to value added building blocks and fuels.

PubMed

Sun, Zhuohua; Barta, Katalin

2018-06-21

The structural complexity of lignocellulose offers unique opportunities for the development of entirely new, energy efficient and waste-free pathways in order to obtain valuable bio-based building blocks. Such sustainable catalytic methods - specifically tailored to address the efficient conversion of abundant renewable starting materials - are necessary to successfully compete, in the future, with fossil-based multi-step processes. In this contribution we give a summary of recent developments in this field and describe our "cleave and couple" strategy, where "cleave" refers to the catalytic deconstruction of lignocellulose to aromatic and aliphatic alcohol intermediates, and "couple" involves the development of novel, sustainable transformations for the formation of C-C and C-N bonds in order to obtain a range of attractive products from lignocellulose.

Light-Nuclei Spectra from Chiral Dynamics

NASA Astrophysics Data System (ADS)

Piarulli, M.; Baroni, A.; Girlanda, L.; Kievsky, A.; Lovato, A.; Lusk, Ewing; Marcucci, L. E.; Pieper, Steven C.; Schiavilla, R.; Viviani, M.; Wiringa, R. B.

2018-02-01

In recent years local chiral interactions have been derived and implemented in quantum Monte Carlo methods in order to test to what extent the chiral effective field theory framework impacts our knowledge of few- and many-body systems. In this Letter, we present Green's function Monte Carlo calculations of light nuclei based on the family of local two-body interactions presented by our group in a previous paper in conjunction with chiral three-body interactions fitted to bound- and scattering-state observables in the three-nucleon sector. These interactions include Δ intermediate states in their two-pion-exchange components. We obtain predictions for the energy levels and level ordering of nuclei in the mass range A =4 - 12 , accurate to ≤2 % of the binding energy, in very satisfactory agreement with experimental data.

Maskelynite formation via solid-state transformation: Evidence of infrared and x-ray anisotropy

DOE PAGES

Jaret, Steven J.; Ehm, Lars; Woerner, William R.; ...

2015-03-24

We present optical microscopy, micro-Raman spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, high-energy X-ray total scattering experiments, and micro-Fourier transform infrared (micro-FTIR) spectroscopy on shocked labradorite from the Lonar Crater, India. We show that maskelynite of shock class 2 is structurally more similar to fused glass than to crystalline plagioclase. However, there are slight but significant differences – preservation of original pre-impact igneous zoning, anisotropy at Infrared wavelengths, X-ray anisotropy, and preservation of some intermediate range order – which are all consistent with a solid-state transformation formation of maskelynite.

Radio properties of type 1.8 and 1.9 Seyfert galaxies

NASA Technical Reports Server (NTRS)

Ulvestad, James S.

1986-01-01

A number of type 1.8 and 1.9 Seyfert galaxies have been observed at the VLA in order to compare their properties with those of the other types of Seyfert galaxy. The observed types have radio luminosities in the range of 10 to the 39th-40.5th args/s, with the median near 10 to the 40th ergs/s. Most of these galaxies have radio sources with diameters of about 500 pc or less. The ratio of radio luminosity to featureless optical continuum luminosity in the Seyfert 1.8/12.9 galaxies and Seyfert 1.2/1.5 galaxies is intermediate between the values for Seyfert 1 and Seyfert 2 galaxies. The infrared-to-radio ratio decreases along the sequence from Seyfert 1 galaxies, through intermediate Seyfert galaxies, to Seyfert 2 galaxies. This systematic statistical difference in the ratio of two aspect-independent quantities implies that the differences among the Seyfert classes cannot be attributed solely to differences in viewing angle.

Transition of temporal scaling behavior in percolation assisted shear-branching structure during plastic deformation

DOE PAGES

Ren, Jingli; Chen, Cun; Wang, Gang; ...

2017-03-22

This study explores the temporal scaling behavior induced shear-branching structure in response to variant temperatures and strain rates during plastic deformation of Zr-based bulk metallic glass (BMG). The data analysis based on the compression tests suggests that there are two states of shear-branching structures: the fractal structure with a long-range order at an intermediate temperature of 223 K and a larger strain rate of 2.5 × 10 –2 s –1; the disordered structure dominated at other temperature and strain rate. It can be deduced from the percolation theory that the compressive ductility, ec, can reach the maximum value at themore » intermediate temperature. Furthermore, a dynamical model involving temperature is given for depicting the shear-sliding process, reflecting the plastic deformation has fractal structure at the temperature of 223 K and strain rate of 2.5 × 10 –2 s –1.« less

Fluctuation in the Intermediate Magnetic Phase of Triangular Ising Antiferromagnet (CeS)1.16[Fe0.33(NbS2)2

NASA Astrophysics Data System (ADS)

Michioka, Chishiro; Suzuki, Kazuya; Mibu, Ko

2002-10-01

We applied 57Fe Mössbauer spectroscopy for investigating the Ising spin triangular lattice antiferromagnet (TLA) (CeS)1.16[Fe0.33(NbS2)2] between 2 and 300 K. The spectra revealed that the relaxation time of the hyperfine field markedly changes in the intermediate phase between TN1=22 K and TN2=15 K due to strong spin fluctuation. The relaxation of the hyperfine field is not sufficiently fast as a paramagnet even at 77 K, which is much higher than TN1, and the inverse susceptibility of (LaS)1.14[Fe0.33(NbS2)2] deviates from the Curie-Weiss law below 100 K. These results indicate that an unusual short-range order exists above TN1. The temperature dependence of the Mössbauer spectra can be explained by phase transition of the three-dimensional TLA model with weak interlayer exchange interactions.

Mass production of shaped particles through vortex ring freezing

PubMed Central

An, Duo; Warning, Alex; Yancey, Kenneth G.; Chang, Chun-Ti; Kern, Vanessa R.; Datta, Ashim K.; Steen, Paul H.; Luo, Dan; Ma, Minglin

2016-01-01

A vortex ring is a torus-shaped fluidic vortex. During its formation, the fluid experiences a rich variety of intriguing geometrical intermediates from spherical to toroidal. Here we show that these constantly changing intermediates can be ‘frozen' at controlled time points into particles with various unusual and unprecedented shapes. These novel vortex ring-derived particles, are mass-produced by employing a simple and inexpensive electrospraying technique, with their sizes well controlled from hundreds of microns to millimetres. Guided further by theoretical analyses and a laminar multiphase fluid flow simulation, we show that this freezing approach is applicable to a broad range of materials from organic polysaccharides to inorganic nanoparticles. We demonstrate the unique advantages of these vortex ring-derived particles in several applications including cell encapsulation, three-dimensional cell culture, and cell-free protein production. Moreover, compartmentalization and ordered-structures composed of these novel particles are all achieved, creating opportunities to engineer more sophisticated hierarchical materials. PMID:27488831

High temperature ferroic phase transitions and evidence of paraelectric cubic phase in the multiferroic 0.8BiFeO3-0.2BaTiO3

NASA Astrophysics Data System (ADS)

Singh, Anar; Patel, Jay Prakash; Pandey, Dhananjai

2009-10-01

We present here results of a powder x-ray diffraction study on the multiferroic 0.8BiFeO3-0.2BaTiO3 in the temperature range of 300-925 K. Our results provide unambiguous evidence for paraelectric cubic phase. We do not find any evidence for intermediate β-phase in our studies. The rhombohedral to cubic phase transition is shown to be of first order as revealed by the coexistence of cubic and rhombohedral phases over 100 K range and a discontinuous change in the unit cell volume. An anomaly in the unit cell volume at the magnetic transition temperature indicative of the magnetoelastic coupling is also reported.

Theory of intermediate- and high-field mobility in dilute nitride alloys

NASA Astrophysics Data System (ADS)

Seifikar, Masoud; O'Reilly, Eoin P.; Fahy, Stephen

2011-10-01

We have solved the steady-state Boltzmann transport equation in bulk GaAs1-xNx. Two different models of the conduction band structure have been studied to investigate the behavior of electrons with increasing electric field in these alloys: (1) carriers in parabolic Γ and L bands are scattered by resonant nitrogen substitutional defect states, polar optic and acoustic phonons, and intervalley optical phonons; (2) carriers, constrained in the lower band of the band-anticrossing (BAC) model, are scattered by phonons and by nitrogen states. We consider scattering both by isolated N atoms and also by a full distribution of N states. We find that it is necessary to include the full distribution of levels in order to account for the small low-field mobility and the absence of a negative differential velocity regime observed experimentally with increasing x. Model 2 breaks down at intermediate and high field, due to the unphysical constraint of limiting carriers to the lower BAC band. For model 1, carrier scattering into the L bands is reduced at intermediate electric fields but is comparable at high fields to that observed in GaAs, with the calculated high-field mobility and carrier distribution then also being comparable to GaAs. Overall the results account well for a wide range of experimental data.

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

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

Neilson, James R.; McQueen, Tyrel M.

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

DOE PAGES

Neilson, James R.; McQueen, Tyrel M.

2015-09-20

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

Range-gated field disturbance sensor with range-sensitivity compensation

DOEpatents

McEwan, T.E.

1996-05-28

A field disturbance sensor operates with relatively low power, provides an adjustable operating range, is not hypersensitive at close range, allows co-location of multiple sensors, and is inexpensive to manufacture. The sensor includes a transmitter that transmits a sequence of transmitted bursts of electromagnetic energy. The transmitter frequency is modulated at an intermediate frequency. The sequence of bursts has a burst repetition rate, and each burst has a burst width and comprises a number of cycles at a transmitter frequency. The sensor includes a receiver which receives electromagnetic energy at the transmitter frequency, and includes a mixer which mixes a transmitted burst with reflections of the same transmitted burst to produce an intermediate frequency signal. Circuitry, responsive to the intermediate frequency signal indicates disturbances in the sensor field. Because the mixer mixes the transmitted burst with reflections of the transmitted burst, the burst width defines the sensor range. The burst repetition rate is randomly or pseudorandomly modulated so that bursts in the sequence of bursts have a phase which varies. 8 figs.

Range-gated field disturbance sensor with range-sensitivity compensation

DOEpatents

McEwan, Thomas E.

1996-01-01

A field disturbance sensor operates with relatively low power, provides an adjustable operating range, is not hypersensitive at close range, allows co-location of multiple sensors, and is inexpensive to manufacture. The sensor includes a transmitter that transmits a sequence of transmitted bursts of electromagnetic energy. The transmitter frequency is modulated at an intermediate frequency. The sequence of bursts has a burst repetition rate, and each burst has a burst width and comprises a number of cycles at a transmitter frequency. The sensor includes a receiver which receives electromagnetic energy at the transmitter frequency, and includes a mixer which mixes a transmitted burst with reflections of the same transmitted burst to produce an intermediate frequency signal. Circuitry, responsive to the intermediate frequency signal indicates disturbances in the sensor field. Because the mixer mixes the transmitted burst with reflections of the transmitted burst, the burst width defines the sensor range. The burst repetition rate is randomly or pseudorandomly modulated so that bursts in the sequence of bursts have a phase which varies.

Space Weathering of Intermediate-Size Soil Grains in Immature Apollo 17 Soil 71061

NASA Technical Reports Server (NTRS)

Wentworth, S. J.; Robinson, G. A.; McKay, D. S.

2005-01-01

Understanding space weathering, which is caused by micrometeorite impacts, implantation of solar wind gases, radiation damage, chemical effects from solar particles and cosmic rays, interactions with the lunar atmosphere, and sputter erosion and deposition, continues to be a primary objective of lunar sample research. Electron beam studies of space weathering have focused on space weathering effects on individual glasses and minerals from the finest size fractions of lunar soils [1] and patinas on lunar rocks [2]. We are beginning a new study of space weathering of intermediate-size individual mineral grains from lunar soils. For this initial work, we chose an immature soil (see below) in order to maximize the probability that some individual grains are relatively unweathered. The likelihood of identifying a range of relatively unweathered grains in a mature soil is low, and we plan to study grains ranging from pristine to highly weathered in order to determine the progression of space weathering. Future studies will include grains from mature soils. We are currently in the process of documenting splash glass, glass pancakes, craters, and accretionary particles (glass and mineral grains) on plagioclase from our chosen soil using high-resolution field emission scanning electron microscopy (FESEM). These studies are being done concurrently with our studies of patinas on larger lunar rocks [e.g., 3]. One of our major goals is to correlate the evidence for space weathering observed in studies of the surfaces of samples with the evidence demonstrated at higher resolution (TEM) using cross-sections of samples. For example, TEM studies verified the existence of vapor deposits on soil grains [1]; we do not yet know if they can be readily distinguished by surfaces studies of samples. A wide range of textures of rims on soil grains is also clear in TEM [1]; might it be possible to correlate them with specific characteristics of weathering features seen in SEM?

Hydrogeology of the surficial and intermediate aquifers of central Sarasota County, Florida

USGS Publications Warehouse

Duerr, A.D.; Wolansky, R.M.

1986-01-01

The geohydrologic units underlying a 300 sq mi area in central Sarasota County, Florida, consist of the surficial aquifer, intermediate aquifers (Tamiami-upper Hawthorn and lower Hawthorn-upper Tampa aquifers) and confining units, the Floridan aquifer system, and the sub-Floridan confining unit. The saturated thickness of the surficial aquifer ranges from about 40 to 75 ft and the water table is generally within 5 ft of land surface. The Tamiami-upper Hawthorn is the uppermost intermediate aquifer. The top of the aquifer ranges from about 50 ft to about 75 below sea level and has an average thickness of about 100 ft. The lower Hawthorne-upper Tampa aquifer is the lowermost intermediate aquifer. The top of the aquifer ranges from about 190 to about 220 ft below sea level and its thickness ranges from about 200 to 250 ft. The quality of water in the surficial and the two intermediate aquifers is acceptable for potable use except near the coast. Water from the Floridan aquifer system is used primarily for agricultural purposes because it is too mineralized for most other uses; therefore, the surficial and intermediate aquifers are developed for water supply. The artesian pressure of the various aquifers generally increases with depth. A more detailed geohydrologic description is presented for the Ringling-MacArthur Reserve, a 51 sq mi area in the central part of the county that may be used by Sarasota County as a future water supply. Average annual rainfall is 56 inches and evapotranspiration is about 42 in at the Reserve. The area has a high water table, many sloughs and swamps, and undeveloped land, making it an attractive site as a potential source of water. (Author 's abstract)

Resonance-Raman spectro-electrochemistry of intermediates in molecular artificial photosynthesis of bimetallic complexes.

PubMed

Zedler, Linda; Guthmuller, Julien; Rabelo de Moraes, Inês; Kupfer, Stephan; Krieck, Sven; Schmitt, Michael; Popp, Jürgen; Rau, Sven; Dietzek, Benjamin

2014-05-25

The sequential order of photoinduced charge transfer processes and accompanying structure changes were analyzed by UV-vis and resonance-Raman spectroscopy of intermediates of a Ru(ii) based photocatalytic hydrogen evolving system obtained by electrochemical reduction.

Kinetically trapped metastable intermediate of a disulfide-deficient mutant of the starch-binding domain of glucoamylase.

PubMed

Sugimoto, Hayuki; Nakaura, Miho; Nishimura, Shigenori; Karita, Shuichi; Miyake, Hideo; Tanaka, Akiyoshi

2009-08-01

Refolding of a thermally unfolded disulfide-deficient mutant of the starch-binding domain of glucoamylase was investigated using differential scanning calorimetry, isothermal titration calorimetry, CD, and (1)H NMR. When the protein solution was rapidly cooled from a higher temperature, a kinetic intermediate was formed during refolding. The intermediate was unexpectedly stable compared with typical folding intermediates that have short half-lives. It was shown that this intermediate contained substantial secondary structure and tertiary packing and had the same binding ability with beta-cyclodextrin as the native state, suggesting that the intermediate is highly-ordered and native-like on the whole. These characteristics differ from those of partially folded intermediates such as molten globule states. Far-UV CD spectra showed that the secondary structure was once disrupted during the transition from the intermediate to the native state. These results suggest that the intermediate could be an off-pathway type, possibly a misfolded state, that has to undergo unfolding on its way to the native state.

Recursive formulas for determining perturbing accelerations in intermediate satellite motion

NASA Astrophysics Data System (ADS)

Stoianov, L.

Recursive formulas for Legendre polynomials and associated Legendre functions are used to obtain recursive relationships for determining acceleration components which perturb intermediate satellite motion. The formulas are applicable in all cases when the perturbation force function is presented as a series in spherical functions (gravitational, tidal, thermal, geomagnetic, and other perturbations of intermediate motion). These formulas can be used to determine the order of perturbing accelerations.

REVIEW-ARTICLE Intermediate alleles of Huntington's disease HTT gene in different populations worldwide: a systematic review.

PubMed

Apolinário, T A; Paiva, C L A; Agostinho, L A

2017-04-05

Huntington's disease (HD) is an autosomal dominant progressive neurodegenerative disorder caused by a dynamic mutation due to the expansion of CAG repeats in the HTT gene (4p16.3). The considered normal alleles have less than 27 CAG repeats. Intermediate alleles (IAs) show 27 to 35 CAG repeats and expanded alleles have more than 35 repeats. The IAs apparently have shown a normal phenotype. However, there are some reported associations between individuals that bear an IA and clinical HD signs, such as behavioral disturbs. The association of IAs with the presence of clinical signs gives clinical relevance to these patients. We emphasized the importance of determining the frequency of IA alleles in the general population as well as in HD families. Therefore, the aim of this study was to conduct a systematic review, in order to investigate the frequency of IAs in the overall chromosomes of different ethnic groups and of families with HD history worldwide as well as the frequency of individuals who bear the intermediate alleles. We searched indexed articles from the following electronic databases: U.S. National Library of Medicine and the National Institutes of Health (PubMed), Pubmed Central (PMC) and Virtual Health Library (VHL). Therefore, 488 articles were obtained and, of these, 33 had been published in more than one database. We accepted the article of only one database and ended up with 455 articles for this review. The frequency of IAs within the chromosomes of the general population ranged from 0.45 to 8.7% and of individuals with family history of HD ranged from 0.05 to 5.1%. The higher frequency of IAs in the general population (8.7%) was found in one Brazilian cohort.

Visualization of a stable intermediate phase in photoinduced metal-to-insulator transition in manganites

NASA Astrophysics Data System (ADS)

Lin, Hanxuan; Liu, Hao; Bai, Yu; Miao, Tian; Yu, Yang; Zhu, Yinyan; Chen, Hongyan; Kou, Yunfang; Niu, Jiebin; Wang, Wenbin; Yin, Lifeng; Shen, Jian

First order metal-insulator transition, accounting for various intriguing phenomena, is one of the most important phase transitions in condensed matter systems. Aside from the initial and final states, i.e. the metallic and insulating phases, no stable intermediate phase has been experimentally identified in such first order phase transition, though some transient phases do exist at the ultrafast time scale. Here, using our unique low-temperature, high-field magnetic force microscopy with photoexcitation, we directly observed a stable intermediate phase emerging and mediating the photoinduced first order metal-insulator transition in manganites. This phase is characteristic of low net magnetization and high resistivity. Our observations unveil the microscopic details of the photoinduced metal-insulator transition in manganites, which may be insightful to study first order metal-insulator transition in other condensed matter systems. This work was supported by National Key Research Program of China (2016YFA0300702), National Basic Research Program of China (973 Program) under the Grant No. 2013CB932901 and 2014CB921104; National Natural Science Foundation of China (11274071, 11504053).

Phase behavior of Langmuir monolayers with ionic molecular heads: Molecular simulations

NASA Astrophysics Data System (ADS)

González-Castro, Carlos A.; Ramírez-Santiago, Guillermo

2015-03-01

We carried out Monte Carlo simulations in the N ,Π,T ensemble of a Langmuir monolayer coarse-grained molecular model. Considering that the hydrophilic groups can be ionized by modulating acid-base interactions, here we study the phase behavior of a model that incorporates the short-range steric and long-range ionic interactions. The simulations were carried out in the reduced temperature range 0.1 ≤T*<4.0 , where there is a competition of these interactions. Different order parameters were calculated and analyzed for several values of the reduced surface pressure in the interval, 1 ≤Π*≤40. For most of the surface pressures two directions of molecular tilt were found: (i) towards the nearest neighbor (NN) at low temperatures, T*<0.7, and most of the values of Π* and (ii) towards next-nearest neighbors (NNN) in the temperature interval 0.7 ≤T*<1.1 for Π*<25. We also found the coexistence of the NN and NNN at intermediate temperatures and Π*>25 . A low-temperature reentrant disorder-order-disorder transition in the positions of the molecular heads and in the collective tilt of the tails was found for all the surface pressure values. It was also found that the molecular tails arranged forming "rotating patterns" in the temperature interval, 0.5

Factors that impact the stability of vitamin C at intermediate temperatures in a food matrix.

PubMed

Herbig, Anna-Lena; Renard, Catherine M G C

2017-04-01

The study comprises a systematic and quantitative evaluation of potential intrinsic and extrinsic factors that impact vitamin C degradation in a real food matrix. The supernatant of centrifuged apple purée was fortified in vitamin C, and degradation was followed without stirring. Model discrimination indicated better fit for the zero order model than the first order model which was hence chosen for determination of rate constants. pH influenced strongly vitamin C degradation in citrate-phosphate buffer but not in the apple purée serum. To get an idea of the impact of the food matrix, stability in apple purée serum was compared with that in carrot purée. In the latter, stability was slightly higher. Vitamin C degradation rates were not influenced by its initial concentration. The temperature effect was only marked in the temperature range 40-60°C. In the range 60-80°C, filling height of tubes had the greatest impact. Copyright © 2016 Elsevier Ltd. All rights reserved.

Collective interaction of microscale matters in natural analogy: human cancer cells vs. microspheres

NASA Astrophysics Data System (ADS)

Ahn, Sungsook; Lee, Sang Joon; Postech Team

2014-11-01

Collective behaviors have been considered both in living and lifeless things as a natural phenomenon. During the ordering process, a sudden and spontaneous transition is typically generated between an order and a disorder according to the population density of interacting elements. In a cellular level collective behavior, the cells are distributed in the characteristic patterns according to the population density and the mutual interaction of the individual cells undergo density-dependent diffusive motion. On the other hand, density-controlled surface-modified hollow microsphere suspension induces an overpopulation via buoyancy which provides a driving force to induce an assembly. The collective behaviors of the cells and microspheres in a designed liquid medium are explained in terms of the deviation from the interparticle distance distribution and the induced strength to organize the particle position in a specific distance range. as a result, microscale particulate matters exhibit high resemblance in their pair correlation and dynamical heterogeneity in the intermediate range between a single individual and an agglomerate. Therefore, it is suggested that biological systems are analogically explained to be dominated by physically interactive aspects.

Light-Nuclei Spectra from Chiral Dynamics

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

Piarulli, M.; Baroni, A.; Girlanda, L.

In recent years local chiral interactions have been derived and implemented in quantum Monte Carlo methods in order to test to what extent the chiral effective field theory framework impacts our knowledge of few- and many-body systems. Here in this Letter, we present Green’s function Monte Carlo calculations of light nuclei based on the family of local two-body interactions presented by our group in a previous paper in conjunction with chiral three-body interactions fitted to bound- and scattering-state observables in the three-nucleon sector. These interactions include Δ intermediate states in their two-pion-exchange components. We obtain predictions for the energy levelsmore » and level ordering of nuclei in the mass range A=4–12, accurate to ≤2% of the binding energy, in very satisfactory agreement with experimental data.« less

Pair plasma relaxation time scales.

PubMed

Aksenov, A G; Ruffini, R; Vereshchagin, G V

2010-04-01

By numerically solving the relativistic Boltzmann equations, we compute the time scale for relaxation to thermal equilibrium for an optically thick electron-positron plasma with baryon loading. We focus on the time scales of electromagnetic interactions. The collisional integrals are obtained directly from the corresponding QED matrix elements. Thermalization time scales are computed for a wide range of values of both the total-energy density (over 10 orders of magnitude) and of the baryonic loading parameter (over 6 orders of magnitude). This also allows us to study such interesting limiting cases as the almost purely electron-positron plasma or electron-proton plasma as well as intermediate cases. These results appear to be important both for laboratory experiments aimed at generating optically thick pair plasmas as well as for astrophysical models in which electron-positron pair plasmas play a relevant role.

Light-Nuclei Spectra from Chiral Dynamics

DOE PAGES

Piarulli, M.; Baroni, A.; Girlanda, L.; ...

2018-02-01

In recent years local chiral interactions have been derived and implemented in quantum Monte Carlo methods in order to test to what extent the chiral effective field theory framework impacts our knowledge of few- and many-body systems. Here in this Letter, we present Green’s function Monte Carlo calculations of light nuclei based on the family of local two-body interactions presented by our group in a previous paper in conjunction with chiral three-body interactions fitted to bound- and scattering-state observables in the three-nucleon sector. These interactions include Δ intermediate states in their two-pion-exchange components. We obtain predictions for the energy levelsmore » and level ordering of nuclei in the mass range A=4–12, accurate to ≤2% of the binding energy, in very satisfactory agreement with experimental data.« less

Protein vivisection reveals elusive intermediates in folding

PubMed Central

Zheng, Zhongzhou; Sosnick, Tobin R.

2010-01-01

Although most folding intermediates escape detection, their characterization is crucial to the elucidation of folding mechanisms. Here we outline a powerful strategy to populate partially unfolded intermediates: A buried aliphatic residue is substituted with a charged residue (e.g., Leu→Glu−) to destabilize and unfold a specific region of the protein. We apply this strategy to Ubiquitin, reversibly trapping a folding intermediate in which the β5 strand is unfolded. The intermediate refolds to a native-like structure upon charge neutralization under mildly acidic conditions. Characterization of the trapped intermediate using NMR and hydrogen exchange methods identifies a second folding intermediate and reveals the order and free energies of the two major folding events on the native side of the rate-limiting step. This general strategy may be combined with other methods and have broad applications in the study of protein folding and other reactions that require trapping of high energy states. PMID:20144618

Calculation of recoil implantation profiles using known range statistics

NASA Technical Reports Server (NTRS)

Fung, C. D.; Avila, R. E.

1985-01-01

A method has been developed to calculate the depth distribution of recoil atoms that result from ion implantation onto a substrate covered with a thin surface layer. The calculation includes first order recoils considering projected range straggles, and lateral straggles of recoils but neglecting lateral straggles of projectiles. Projectile range distributions at intermediate energies in the surface layer are deduced from look-up tables of known range statistics. A great saving of computing time and human effort is thus attained in comparison with existing procedures. The method is used to calculate recoil profiles of oxygen from implantation of arsenic through SiO2 and of nitrogen from implantation of phosphorus through Si3N4 films on silicon. The calculated recoil profiles are in good agreement with results obtained by other investigators using the Boltzmann transport equation and they also compare very well with available experimental results in the literature. The deviation between calculated and experimental results is discussed in relation to lateral straggles. From this discussion, a range of surface layer thickness for which the method applies is recommended.

Evidence for a Shared Mechanism in the Formation of Urea-Induced Kinetic and Equilibrium Intermediates of Horse Apomyoglobin from Ultrarapid Mixing Experiments.

PubMed

Mizukami, Takuya; Abe, Yukiko; Maki, Kosuke

2015-01-01

In this study, the equivalence of the kinetic mechanisms of the formation of urea-induced kinetic folding intermediates and non-native equilibrium states was investigated in apomyoglobin. Despite having similar structural properties, equilibrium and kinetic intermediates accumulate under different conditions and via different mechanisms, and it remains unknown whether their formation involves shared or distinct kinetic mechanisms. To investigate the potential mechanisms of formation, the refolding and unfolding kinetics of horse apomyoglobin were measured by continuous- and stopped-flow fluorescence over a time range from approximately 100 μs to 10 s, along with equilibrium unfolding transitions, as a function of urea concentration at pH 6.0 and 8°C. The formation of a kinetic intermediate was observed over a wider range of urea concentrations (0-2.2 M) than the formation of the native state (0-1.6 M). Additionally, the kinetic intermediate remained populated as the predominant equilibrium state under conditions where the native and unfolded states were unstable (at ~0.7-2 M urea). A continuous shift from the kinetic to the equilibrium intermediate was observed as urea concentrations increased from 0 M to ~2 M, which indicates that these states share a common kinetic folding mechanism. This finding supports the conclusion that these intermediates are equivalent. Our results in turn suggest that the regions of the protein that resist denaturant perturbations form during the earlier stages of folding, which further supports the structural equivalence of transient and equilibrium intermediates. An additional folding intermediate accumulated within ~140 μs of refolding and an unfolding intermediate accumulated in <1 ms of unfolding. Finally, by using quantitative modeling, we showed that a five-state sequential scheme appropriately describes the folding mechanism of horse apomyoglobin.

Intermediate inflation from a non-canonical scalar field

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

Rezazadeh, K.; Karami, K.; Karimi, P., E-mail: rezazadeh86@gmail.com, E-mail: KKarami@uok.ac.ir, E-mail: parvin.karimi67@yahoo.com

2015-09-01

We study the intermediate inflation in a non-canonical scalar field framework with a power-like Lagrangian. We show that in contrast with the standard canonical intermediate inflation, our non-canonical model is compatible with the observational results of Planck 2015. Also, we estimate the equilateral non-Gaussianity parameter which is in well agreement with the prediction of Planck 2015. Then, we obtain an approximation for the energy scale at the initial time of inflation and show that it can be of order of the Planck energy scale, i.e. M{sub P} ∼ 10{sup 18}GeV. We will see that after a short period of time, inflation entersmore » in the slow-roll regime that its energy scale is of order M{sub P}/100 ∼ 10{sup 16}GeV and the horizon exit takes place in this energy scale. We also examine an idea in our non-canonical model to overcome the central drawback of intermediate inflation which is the fact that inflation never ends. We solve this problem without disturbing significantly the nature of the intermediate inflation until the time of horizon exit.« less

Chiral liquid phase of simple quantum magnets

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

Wang, Zhentao; Feiguin, Adrian E.; Zhu, Wei

2017-11-07

We study a T=0 quantum phase transition between a quantum paramagnetic state and a magnetically ordered state for a spin S=1 XXZ Heisenberg antiferromagnet on a two-dimensional triangular lattice. The transition is induced by an easy-plane single-ion anisotropy D. At the mean-field level, the system undergoes a direct transition at a critical D=D c between a paramagnetic state at D>D c and an ordered state with broken U(1) symmetry at Dc. We show that beyond mean field the phase diagram is very different and includes an intermediate, partially ordered chiral liquid phase. Specifically, we find that inside the paramagnetic phasemore » the Ising (J z) component of the Heisenberg exchange binds magnons into a two-particle bound state with zero total momentum and spin. This bound state condenses at D>D c, before single-particle excitations become unstable, and gives rise to a chiral liquid phase, which spontaneously breaks spatial inversion symmetry, but leaves the spin-rotational U(1) and time-reversal symmetries intact. This chiral liquid phase is characterized by a finite vector chirality without long-range dipolar magnetic order. In our analytical treatment, the chiral phase appears for arbitrarily small J z because the magnon-magnon attraction becomes singular near the single-magnon condensation transition. This phase exists in a finite range of D and transforms into the magnetically ordered state at some Dc. In conclusion, we corroborate our analytic treatment with numerical density matrix renormalization group calculations.« less

Phase diagrams and free-energy landscapes for model spin-crossover materials with antiferromagnetic-like nearest-neighbor and ferromagnetic-like long-range interactions

NASA Astrophysics Data System (ADS)

Chan, C. H.; Brown, G.; Rikvold, P. A.

2017-11-01

We present phase diagrams, free-energy landscapes, and order-parameter distributions for a model spin-crossover material with a two-step transition between the high-spin and low-spin states (a square-lattice Ising model with antiferromagnetic-like nearest-neighbor and ferromagnetic-like long-range interactions) [P. A. Rikvold et al., Phys. Rev. B 93, 064109 (2016), 10.1103/PhysRevB.93.064109]. The results are obtained by a recently introduced, macroscopically constrained Wang-Landau Monte Carlo simulation method [Phys. Rev. E 95, 053302 (2017), 10.1103/PhysRevE.95.053302]. The method's computational efficiency enables calculation of thermodynamic quantities for a wide range of temperatures, applied fields, and long-range interaction strengths. For long-range interactions of intermediate strength, tricritical points in the phase diagrams are replaced by pairs of critical end points and mean-field critical points that give rise to horn-shaped regions of metastability. The corresponding free-energy landscapes offer insights into the nature of asymmetric, multiple hysteresis loops that have been experimentally observed in spin-crossover materials characterized by competing short-range interactions and long-range elastic interactions.

Does Explosive Nuclear Burning Occur in Tidal Disruption Events of White Dwarfs by Intermediate-mass Black Holes?

NASA Astrophysics Data System (ADS)

Tanikawa, Ataru; Sato, Yushi; Nomoto, Ken'ichi; Maeda, Keiichi; Nakasato, Naohito; Hachisu, Izumi

2017-04-01

We investigate nucleosynthesis in tidal disruption events (TDEs) of white dwarfs (WDs) by intermediate-mass black holes. We consider various types of WDs with different masses and compositions by means of three-dimensional (3D) smoothed particle hydrodynamics (SPH) simulations. We model these WDs with different numbers of SPH particles, N, from a few 104 to a few 107 in order to check mass resolution convergence, where SPH simulations with N > 107 (or a space resolution of several 106 cm) have unprecedentedly high resolution in this kind of simulation. We find that nuclear reactions become less active with increasing N and that these nuclear reactions are excited by spurious heating due to low resolution. Moreover, we find no shock wave generation. In order to investigate the reason for the absence of a shock wave, we additionally perform one-dimensional (1D) SPH and mesh-based simulations with a space resolution ranging from 104 to 107 cm, using a characteristic flow structure extracted from the 3D SPH simulations. We find shock waves in these 1D high-resolution simulations, one of which triggers a detonation wave. However, we must be careful of the fact that, if the shock wave emerged in an outer region, it could not trigger the detonation wave due to low density. Note that the 1D initial conditions lack accuracy to precisely determine where a shock wave emerges. We need to perform 3D simulations with ≲106 cm space resolution in order to conclude that WD TDEs become optical transients powered by radioactive nuclei.

Interactions between attention, context and learning in primary visual cortex.

PubMed

Gilbert, C; Ito, M; Kapadia, M; Westheimer, G

2000-01-01

Attention in early visual processing engages the higher order, context dependent properties of neurons. Even at the earliest stages of visual cortical processing neurons play a role in intermediate level vision - contour integration and surface segmentation. The contextual influences mediating this process may be derived from long range connections within primary visual cortex (V1). These influences are subject to perceptual learning, and are strongly modulated by visuospatial attention, which is itself a learning dependent process. The attentional influences may involve interactions between feedback and horizontal connections in V1. V1 is therefore a dynamic and active processor, subject to top-down influences.

The coherent interlayer resistance of a single, rotated interface between two stacks of AB graphite

NASA Astrophysics Data System (ADS)

Habib, K. M. Masum; Sylvia, Somaia S.; Ge, Supeng; Neupane, Mahesh; Lake, Roger K.

2013-12-01

The coherent, interlayer resistance of a misoriented, rotated interface between two stacks of AB graphite is determined for a variety of misorientation angles. The quantum-resistance of the ideal AB stack is on the order of 1 to 10 mΩ μm2. For small rotation angles, the coherent interlayer resistance exponentially approaches the ideal quantum resistance at energies away from the charge neutrality point. Over a range of intermediate angles, the resistance increases exponentially with cell size for minimum size unit cells. Larger cell sizes, of similar angles, may not follow this trend. The energy dependence of the interlayer transmission is described.

Bench scale demonstration and conceptual engineering for DETOX{sup SM} catalyzed wet oxidation

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

Moslander, J.; Bell, R.; Robertson, D.

1994-06-01

Laboratory and bench scale studies of the DETOX{sup SM} catalyzed wet oxidation process have been performed with the object of developing the process for treatment of hazardous and mixed wastes. Reaction orders, apparent rates, and activation energies have been determined for a range of organic waste surrogates. Reaction intermediates and products have been analyzed. Metals` fates have been determined. Bench scale units have been designed, fabricated, and tested with solid and liquid organic waste surrogates. Results from the laboratory and bench scale studies have been used to develop conceptual designs for application of the process to hazardous and mixed wastes.

Photo-thermal reactions of ethanol over Ag/TiO2 catalysts. The role of silver plasmon resonance in the reaction kinetics.

PubMed

Nadeem, M A; Idriss, H

2018-05-17

Photo-thermal catalytic reactions of ethanol over Ag/TiO2 were conducted in order to probe into the role of plasmonic resonance response in the reaction kinetics. In the 300-500 K temperature domain the increase in reaction rate is found to be mainly due to changes in the activation energy while above this temperature range the increase was due to the pre-exponential factor. These results might be linked to the role of plasmonic Ag particles in polarising the reaction intermediates and therefore increasing the reaction products at temperatures up to about 500 K.

Evidence for the formation of a quinone methide during the oxidation of the insect cuticular sclerotizing precursor 1,2-dehydro-N-acetyldopamine.

PubMed

Sugumaran, M; Semensi, V; Kalyanaraman, B; Bruce, J M; Land, E J

1992-05-25

1,2-Dehydro-N-acetyldopamine (dehydro-NADA) is an important catecholamine derivative involved in the cross-linking of insect cuticular components during sclerotization. Since sclerotization is a vital process for the survival of insects, and is closely related to melanogenesis, it is of interest to unravel the chemical mechanisms participating in this process. The present paper reports on the mechanism by which dehydro-NADA is oxidatively activated to form reactive intermediate(s) as revealed by pulse radiolysis, electron spin resonance spectroscopy, high performance liquid chromatography, and ultraviolet-visible spectroscopic analysis. Pulse radiolytic one-electron oxidation of dehydro-NADA by N3. (k = 5.3 x 10(9) M-1 s-1) or Br2.- (k = 7.5 x 10(8) M-1 s-1) at pH6 resulted in the rapid generation of the corresponding semiquinone radical, lambda max 400 nm, epsilon = 20,700 M-1 cm-1. This semiquinone decayed to form a second transient intermediate, lambda max 485 nm, epsilon = 8000 M-1 cm-1, via a second order disproportionation process, k = 6.2 x 10(8) M-1 s-1. At pH 6 in the presence of azide, the first order decay of this second intermediate occurred over milliseconds; the rate decreases at higher pH. At pH 6 in the presence of bromide, the intermediate decayed much more slowly over seconds, k = 0.15 s-1. Under such conditions, the dependence of the first order decay constant upon parent dehydro-NADA concentration led to a second order rate constant of 8.5 x 10(2) M-1 s-1 for reaction of the intermediate with the parent, probably to form benzodioxan "dimers." (The term dimer is used for convenience; the products are strictly bisdehydrodimers of dehydro-NADA (see "Discussion" and Fig. 11)) Rate constants of 5.9 x 10(5), 4.5 x 10(5), 2.8 x 10(4) and 3.5 x 10(4) M-1 s-1 were also obtained for decay of the second intermediate in the presence of cysteine, cysteamine, o-phenylenediamine, and p-aminophenol, respectively. By comparison with the UV-visible spectroscopic properties of the two-electron oxidized species derived from dehydro-NADA and from 1,2-dehydro-N-acetyldopa methyl ester, it is concluded that the transient intermediate exhibiting absorbance at 485 nm is the quinone methide tautomer of the o-quinone of dehydro-NADA. Sclerotization of insect cuticle is discussed in the light of these findings.

Two-step crystal growth mechanism during crystallization of an undercooled Ni50Al50 alloy

NASA Astrophysics Data System (ADS)

An, Simin; Li, Jiahao; Li, Yang; Li, Shunning; Wang, Qi; Liu, Baixin

2016-08-01

Crystallization processes are always accompanied by the emergence of multiple intermediate states, of which the structures and transition dynamics are far from clarity, since it is difficult to experimentally observe the microscopic pathway. To insight the structural evolution and the crystallization dynamics, we perform large-scale molecular dynamics simulations to investigate the time-dependent crystallization behavior of the NiAl intermetallic upon rapid solidification. The simulation results reveal that the crystallization process occurs via a two-step growth mechanism, involving the formation of initial non-equilibrium long range order (NLRO) regions and of the subsequent equilibrium long range order (ELRO) regions. The formation of the NLRO regions makes the grains rather inhomogeneous, while the rearrangement of the NLRO regions into the ELRO regions makes the grains more ordered and compact. This two-step growth mechanism is actually controlled by the evolution of the coordination polyhedra, which are characterized predominantly by the transformation from five-fold symmetry to four-fold and six-fold symmetry. From liquids to NLRO and further to ELRO, the five-fold symmetry of these polyhedra gradually fades, and finally vanishes when B2 structure is distributed throughout the grain bulk. The energy decrease along the pathway further implies the reliability of the proposed crystallization processes.

Order information and free recall: evaluating the item-order hypothesis.

PubMed

Mulligan, Neil W; Lozito, Jeffrey P

2007-05-01

The item-order hypothesis proposes that order information plays an important role in recall from long-term memory, and it is commonly used to account for the moderating effects of experimental design in memory research. Recent research (Engelkamp, Jahn, & Seiler, 2003; McDaniel, DeLosh, & Merritt, 2000) raises questions about the assumptions underlying the item-order hypothesis. Four experiments tested these assumptions by examining the relationship between free recall and order memory for lists of varying length (8, 16, or 24 unrelated words or pictures). Some groups were given standard free-recall instructions, other groups were explicitly instructed to use order information in free recall, and other groups were given free-recall tests intermixed with tests of order memory (order reconstruction). The results for short lists were consistent with the assumptions of the item-order account. For intermediate-length lists, explicit order instructions and intermixed order tests made recall more reliant on order information, but under standard conditions, order information played little role in recall. For long lists, there was little evidence that order information contributed to recall. In sum, the assumptions of the item-order account held for short lists, received mixed support with intermediate lists, and received no support for longer lists.

Trajectory optimization study of a lifting body re-entry vehicle for medium to intermediate range applications

NASA Astrophysics Data System (ADS)

Rizvi, S. Tauqeer ul Islam; Linshu, He; ur Rehman, Tawfiq; Rafique, Amer Farhan

2012-11-01

A numerical optimization study of lifting body re-entry vehicles is presented for nominal as well as shallow entry conditions for Medium and Intermediate Range applications. Due to the stringent requirement of a high degree of accuracy for conventional vehicles, lifting re-entry can be used to attain the impact at the desired terminal flight path angle and speed and thus can potentially improve accuracy of the re-entry vehicle. The re-entry of a medium range and intermediate range vehicles is characterized by very high negative flight path angle and low re-entry speed as compared to a maneuverable re-entry vehicle or a common aero vehicle intended for an intercontinental range. Highly negative flight path angles at the re-entry impose high dynamic pressure as well as heat loads on the vehicle. The trajectory studies are carried out to maximize the cross range of the re-entry vehicle while imposing a maximum dynamic pressure constraint of 350 KPa with a 3 MW/m2 heat rate limit. The maximum normal acceleration and the total heat load experienced by the vehicle at the stagnation point during the maneuver have been computed for the vehicle for possible future conceptual design studies. It has been found that cross range capability of up to 35 km can be achieved with a lifting-body design within the heat rate and the dynamic pressure boundary at normal entry conditions. For shallow entry angle of -20 degree and intermediate ranges a cross range capability of up to 250 km can be attained for a lifting body design with less than 10 percent loss in overall range. The normal acceleration also remains within limits. The lifting-body results have also been compared with wing-body results at shallow entry condition. An hp-adaptive pseudo-spectral method has been used for constrained trajectory optimization.

Contemporary Cambodian: The Social Institutions.

ERIC Educational Resources Information Center

Kheang, Lim Hack; And Others

"Contemporary Cambodian" consists of seven parts: the "Grammatical Sketch," the "Introduction," four intermediate modules, and a Cambodian-English glossary containing all the words in the series. After completing the "Introduction," a student can study the intermediate modules in any order, since each serves as a partial review of the others. This…

JPRS Report, China

DTIC Science & Technology

1987-12-31

inconsistent with Japan’s declared policy of opening up her markets. JPRS-CAR-87-061 31 December 1987 28 ECONOMIC 2. The "three lows "— low oil prices, the...intermediate- range warheads in Soviet Asia and the United States, respectively. But the United States and some Western European nations soon demanded...Union insisted on keeping 100 intermediate- range guided missiles in Asia while balking at the U.S. demand that it be allowed to deploy an equal

X-ray absorption spectroscopy with time-tagged photon counting: application to study the structure of a Co(i) intermediate of H2 evolving photo-catalyst.

PubMed

Smolentsev, Grigory; Guda, Alexander A; Janousch, Markus; Frieh, Cristophe; Jud, Gaudenz; Zamponi, Flavio; Chavarot-Kerlidou, Murielle; Artero, Vincent; van Bokhoven, Jeroen A; Nachtegaal, Maarten

2014-01-01

In order to probe the structure of reaction intermediates of photochemical reactions a new setup for laser-initiated time-resolved X-ray absorption (XAS) measurements has been developed. With this approach the arrival time of each photon in respect to the laser pulse is measured and therefore full kinetic information is obtained. All X-rays that reach the detector are used to measure this kinetic information and therefore the detection efficiency of this method is high. The newly developed setup is optimized for time-resolved experiments in the microsecond range for samples with relatively low metal concentration (∼1mM). This setup has been applied to study a multicomponent photocatalytic system with a Co(dmgBF(2))(2) catalyst (dmg(2-) = dimethylglyoximato dianion), [Ru(bpy)(3)](2+) chromophore (bpy = 2,2'-bipyridine) and methyl viologen as the electron relay. On the basis of the analysis of hundreds of Co K-edge XAS spectra corresponding to different delay times after the laser excitation of the chromophore, the presence of a Co(i) intermediate is confirmed. The calculated X-ray transient signal for a model of Co(i) state with a 0.14 Å displacement of Co out of the dmg ligand plane and with the closest solvent molecule at a distance of 2.06 Å gives reasonable agreement with the experimental data.

Propylene oxidation mechanisms and intermediates using in situ soft X-ray fluorescence methods on the Pt(111) surface

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

Gabelnick, A.M.; Capitano, A.T.; Kane, S.M.

2000-01-12

The oxidation of propylene preabsorbed on the Pt(111) surface has been characterized in oxygen pressures up to 0.02 Torr using fluorescence yield near-edge spectroscopy (FYNES) and temperature-programmed fluorescence yield near-edge spectroscopy (TP-FYNES) above the carbon K edge. During oxidation of adsorbed propylene, a stable intermediate was observed and characterized using these soft X-ray methods. A general in situ method for determining the stoichiometry of carbon-containing reaction intermediate species has been developed and demonstrated for the first time. Total carbon concentration measured during temperature-programmed reaction studies clearly indicates a reaction intermediate is formed in the 300 K temperature range with amore » surface concentration of 0.55 x 10{sup 15} carbon atoms/cm{sup 2}. By comparing the intensity of the C-H {sigma}* resonance at the magic angle with the intensity in the carbon continuum, the stoichiometry of this intermediate can be determined unambiguously. Based on calibration with molecular propylene (C{sub 3}H{sub 6}) and propylidyne (C{sub 3}H{sub 5}), the intermediate has a C{sub 3}H{sub 5} stoichiometry for oxygen pressures up to 0.02 Torr. A set of normal and glancing angle FYNES spectra above the carbon K edge was used to characterize the bonding and structure of this intermediate. Spectra of known coverages of adsorbed propylene and propylidyne served as standards. The spectra of di-{sigma} propylene, propylidyne, and the intermediate were curve fit as a group with consistent energies and widths of all primary features. Based on this procedure, the intermediate is 1,1,2-tri-{sigma} 1-methylvinyl. The stoichiometry and temperature stability range of the 1-methylvinyl intermediate formed in oxygen pressures up to 0.02 Torr is identical with the stoichiometry and stability of the same intermediate formed during oxidation of preadsorbed propylene by excess coadsorbed atomic oxygen.« less

Coronagraphic Notch Filter for Raman Spectroscopy

NASA Technical Reports Server (NTRS)

Cohen, David; Stirbl, Robert

2004-01-01

A modified coronagraph has been proposed as a prototype of improved notch filters in Raman spectrometers. Coronagraphic notch filters could offer alternatives to both (1) the large and expensive double or triple monochromators in older Raman spectrometers and (2) holographic notch filters, which are less expensive but are subject to environmental degradation as well as to limitations of geometry and spectral range. Measurement of a Raman spectrum is an exercise in measuring and resolving faint spectral lines close to a bright peak: In Raman spectroscopy, a monochromatic beam of light (the pump beam) excites a sample of material that one seeks to analyze. The pump beam generates a small flux of scattered light at wavelengths slightly greater than that of the pump beam. The shift in wavelength of the scattered light from the pump wavelength is known in the art as the Stokes shift. Typically, the flux of scattered light is of the order of 10 7 that of the pump beam and the Stokes shift lies in the wave-number range of 100 to 3,000 cm 1. A notch filter can be used to suppress the pump-beam spectral peak while passing the nearby faint Raman spectral lines. The basic principles of design and operation of a coronagraph offer an opportunity for engineering the spectral transmittance of the optics in a Raman spectrometer. A classical coronagraph may be understood as two imaging systems placed end to end, such that the first system forms an intermediate real image of a nominally infinitely distant object and the second system forms a final real image of the intermediate real image. If the light incident on the first telescope is collimated, then the intermediate image is a point-spread function (PSF). If an appropriately tailored occulting spot (e.g., a Gaussian-apodized spot with maximum absorption on axis) is placed on the intermediate image plane, then the instrument inhibits transmission of light from an on-axis source. However, the PSFs of off-axis light sources are formed off axis - that is, away from the occulting spot - so that they become refocused onto the final image plane.

Chloroplast precursor proteins compete to form early import intermediates in isolated pea chloroplasts.

PubMed

Row, P E; Gray, J C

2001-01-01

In order to ascertain whether there is one site for the import of precursor proteins into chloroplasts or whether different precursor proteins are imported via different import machineries, chloroplasts were incubated with large quantities of the precursor of the 33 kDa subunit of the oxygen-evolving complex (pOE33) or the precursor of the light-harvesting chlorophyll a/b-binding protein (pLHCP) and tested for their ability to import a wide range of other chloroplast precursor proteins. Both pOE33 and pLHCP competed for import into chloroplasts with precursors of the stromally-targeted small subunit of Rubisco (pSSu), ferredoxin NADP(+) reductase (pFNR) and porphobilinogen deaminase; the thylakoid membrane proteins LHCP and the Rieske iron-sulphur protein (pRieske protein); ferrochelatase and the gamma subunit of the ATP synthase (which are both associated with the thylakoid membrane); the thylakoid lumenal protein plastocyanin and the phosphate translocator, an integral membrane protein of the inner envelope. The concentrations of pOE33 or pLHCP required to cause half-maximal inhibition of import ranged between 0.2 and 4.9 microM. These results indicate that all of these proteins are imported into the chloroplast by a common import machinery. Incubation of chloroplasts with pOE33 inhibited the formation of early import intermediates of pSSu, pFNR and pRieske protein.

Characterization of the intermediate-range order in new superionic conducting AgI-Ag2S-AgPO3 glasses by neutron diffraction

NASA Astrophysics Data System (ADS)

Kartini, E.; Kennedy, S. J.; Itoh, K.; Fukunaga, T.; Suminta, S.; Kamiyama, T.

Superionic conducting glasses are of considerable technological interest because of their use in batteries, sensors, and displays. We have investigated the new ternary systems AgI-Ag2S-AgPO3 where the ratio AgI:Ag2S is 1:1. The system (AgI)x(Ag2S)x(AgPO3)1-2x, for a AgI+Ag2S fraction less than 82mol%, yields glasses. We have used a neutron-diffraction technique to obtain the total scattering structure factor S(Q) of this system at room temperature by using the HIT spectrometer at the High Energy Accelerator (KEK), Tsukuba, Japan. As for AgI-AgPO3 glasses, S(Q) shows a peak at anomalously low Q in the range from 0.6 to 0.9 Å-1. This peak is not observed in the corresponding glass Ag2S-AgPO3 or pure AgPO3. The peak depends strongly on the dopant salt. Its intensity increases as the amount of (AgI+Ag2S) increases and its position shifts to lower Q, while the number density of the glasses decreases with x. This peak can be associated with an intermediate structure of particles lying inside a continuous host with the characteristic length between 5 and 10 Å [1].

Cool Flames in Propane-Oxygen Premixtures at Low and Intermediate Temperatures at Reduced-Gravity

NASA Technical Reports Server (NTRS)

Pearlman, Howard; Foster, Michael; Karabacak, Devrez

2003-01-01

The Cool Flame Experiment aims to address the role of diffusive transport on the structure and the stability of gas-phase, non-isothermal, hydrocarbon oxidation reactions, cool flames and auto-ignition fronts in an unstirred, static reactor. These reactions cannot be studied on Earth where natural convection due to self-heating during the course of slow reaction dominates diffusive transport and produces spatio-temporal variations in the thermal and thus species concentration profiles. On Earth, reactions with associated Rayleigh numbers (Ra) less than the critical Ra for onset of convection (Ra(sub cr) approx. 600) cannot be achieved in laboratory-scale vessels for conditions representative of nearly all low-temperature reactions. In fact, the Ra at 1g ranges from 10(exp 4) - 10(exp 5) (or larger), while at reduced-gravity, these values can be reduced two to six orders of magnitude (below Ra(sub cr)), depending on the reduced-gravity test facility. Currently, laboratory (1g) and NASA s KC-135 reduced-gravity (g) aircraft studies are being conducted in parallel with the development of a detailed chemical kinetic model that includes thermal and species diffusion. Select experiments have also been conducted at partial gravity (Martian, 0.3gearth) aboard the KC-135 aircraft. This paper discusses these preliminary results for propane-oxygen premixtures in the low to intermediate temperature range (310- 350 C) at reduced-gravity.

Does the range of IMF affect rise and fall trend in fragmentation?

NASA Astrophysics Data System (ADS)

Sharma, Sakshi; Kumar, Rohit; Puri, Rajeev K.

2018-05-01

We study the rise and fall behavior in the multiplicity of intermediate mass fragments produced in the asymmetric reactions of 36S+ 198Pt using isospin-dependent quantum molecular dynamics model. We use different definitions of intermediate mass fragments according to various experimental studies. We find that the use of one or the other definition of intermediate mass fragments does not alter results significantly.

ACCRETION RATES OF RED QUASARS FROM THE HYDROGEN Pβ LINE

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

Kim, Dohyeong; Im, Myungshin; Glikman, Eilat

Red quasars are thought to be an intermediate population between merger-driven star-forming galaxies in dust-enshrouded phase and normal quasars. If so, they are expected to have high accretion ratios, but their intrinsic dust extinction hampers reliable determination of Eddington ratios. Here, we compare the accretion rates of 16 red quasars at z ∼ 0.7 to those of normal type 1 quasars at the same redshift range. The red quasars are selected by their red colors in optical through near-infrared (NIR) and radio detection. The accretion rates of the red quasars are derived from the Pβ line in NIR spectra, whichmore » is obtained by the SpeX on the Infrared Telescope Facility in order to avoid the effects of dust extinction. We find that the measured Eddington ratios (L{sub bol}/L{sub Edd} ≃ 0.69) of red quasars are significantly higher than those of normal type 1 quasars, which is consistent with a scenario in which red quasars are the intermediate population and the black holes of red quasars grow very rapidly during such a stage.« less

Boson peak, heterogeneity and intermediate-range order in binary SiO2-Al2O3 glasses.

PubMed

Ando, Mariana F; Benzine, Omar; Pan, Zhiwen; Garden, Jean-Luc; Wondraczek, Katrin; Grimm, Stephan; Schuster, Kay; Wondraczek, Lothar

2018-03-29

In binary aluminosilicate liquids and glasses, heterogeneity on intermediate length scale is a crucial factor for optical fiber performance, determining the lower limit of optical attenuation and Rayleigh scattering, but also clustering and precipitation of optically active dopants, for example, in the fabrication of high-power laser gain media. Here, we consider the low-frequency vibrational modes of such materials for assessing structural heterogeneity on molecular scale. We determine the vibrational density of states VDoS g(ω) using low-temperature heat capacity data. From correlation with low-frequency Raman spectroscopy, we obtain the Raman coupling coefficient. Both experiments allow for the extraction of the average dynamic correlation length as a function of alumina content. We find that this value decreases from about 3.9 nm to 3.3 nm when mildly increasing the alumina content from zero (vitreous silica) to 7 mol%. At the same time, the average inter-particle distance increases slightly due to the presence of oxygen tricluster species. In accordance with Loewensteinian dynamics, this proves that mild alumina doping increases structural homogeneity on molecular scale.

Curcumin Modulates α-Synuclein Aggregation and Toxicity

PubMed Central

2012-01-01

In human beings, Parkinson’s disease (PD) is associated with the oligomerization and amyloid formation of α-synuclein (α-Syn). The polyphenolic Asian food ingredient curcumin has proven to be effective against a wide range of human diseases including cancers and neurological disorders. While curcumin has been shown to significantly reduce cell toxicity of α-Syn aggregates, its mechanism of action remains unexplored. Here, using a series of biophysical techniques, we demonstrate that curcumin reduces toxicity by binding to preformed oligomers and fibrils and altering their hydrophobic surface exposure. Further, our fluorescence and two-dimensional nuclear magnetic resonance (2D-NMR) data indicate that curcumin does not bind to monomeric α-Syn but binds specifically to oligomeric intermediates. The degree of curcumin binding correlates with the extent of α-Syn oligomerization, suggesting that the ordered structure of protein is required for effective curcumin binding. The acceleration of aggregation by curcumin may decrease the population of toxic oligomeric intermediates of α-Syn. Collectively; our results suggest that curcumin and related polyphenolic compounds can be pursued as candidate drug targets for treatment of PD and other neurological diseases. PMID:23509976

Online kinetic studies on intermediates of laccase-catalyzed reaction in reversed micelle.

PubMed

Liu, Zhi-Hong; Shao, Mei; Cai, Ru-Xiu; Shen, Ping

2006-02-01

Using water/AOT/n-octane reversed micelle as the medium, the optical signal of the reactive intermediate of laccase-catalyzed oxidation of o-phenylenediamine, which was indetectable in aqueous solutions, was successfully captured. Thus online kinetic studies of the intermediate were accomplished. Two-way kinetic spectral data were acquired with stopped-flow technique. By resolving the data with global analysis software, both the kinetic curves and the absorption spectra of the components involved in the reaction process were simultaneously obtained. The whole reaction in the reversed micelle was proved to be composed of two successive steps, an enzymatic generation of the intermediate and a following nonenzymatic decay of the intermediate. A consecutive first-order kinetic model of the whole reaction was confirmed. The influences of microenvironmental factors of the medium (such as the pH value of the water pool and the water/AOT ratio) on the detection of the intermediate were also investigated.

Plasma distribution and spacecraft charging modeling near Jupiter

NASA Technical Reports Server (NTRS)

Goldstein, R.; Divine, N.

1977-01-01

To assess the role of spacecraft charging near Jupiter, the plasma distribution in Jupiter's magnetosphere was modeled using data from the plasma analyzer experiments on Pioneer 10 (published results) and on Pioneer 11 (preliminary results). In the model, electron temperatures are kT = 4 eV throughout, whereas proton temperatures range over 100 or equal to kT or equal to 400 eV. The model fluxes and concentrations vary over three orders of magnitude among several corotating regions, including, in order to increasing distance from Jupiter, a plasma void, plasma sphere, sporadic zone, ring current, current sheet, high latitude plasma and magnetosheath. Intermediate and high energy electrons and protons (to 100 MeV) are modeled as well. The models supply the information for calculating particle fluxes to a spacecraft in the Jovian environment. The particle balance equations (including effects of secondary and photoemission) then determine the spacecraft potential.

Application of FT-IR Classification Method in Silica-Plant Extracts Composites Quality Testing

NASA Astrophysics Data System (ADS)

Bicu, A.; Drumea, V.; Mihaiescu, D. E.; Purcareanu, B.; Florea, M. A.; Trică, B.; Vasilievici, G.; Draga, S.; Buse, E.; Olariu, L.

2018-06-01

Our present work is concerned with the validation and quality testing efforts of mesoporous silica - plant extracts composites, in order to sustain the standardization process of plant-based pharmaceutical products. The synthesis of the silica support were performed by using a TEOS based synthetic route and CTAB as a template, at room temperature and normal pressure. The silica support was analyzed by advanced characterization methods (SEM, TEM, BET, DLS and FT-IR), and loaded with Calendula officinalis and Salvia officinalis standardized extracts. Further desorption studies were performed in order to prove the sustained release properties of the final materials. Intermediate and final product identification was performed by a FT-IR classification method, using the MID-range of the IR spectra, and statistical representative samples from repetitive synthetic stages. The obtained results recommend this analytical method as a fast and cost effective alternative to the classic identification methods.

An Efficient Remote Authentication Scheme for Wireless Body Area Network.

PubMed

Omala, Anyembe Andrew; Kibiwott, Kittur P; Li, Fagen

2017-02-01

Wireless body area network (WBAN) provide a mechanism of transmitting a persons physiological data to application providers e.g. hospital. Given the limited range of connectivity associated with WBAN, an intermediate portable device e.g. smartphone, placed within WBAN's connectivity, forwards the data to a remote server. This data, if not protected from an unauthorized access and modification may be lead to poor diagnosis. In order to ensure security and privacy between WBAN and a server at the application provider, several authentication schemes have been proposed. Recently, Wang and Zhang proposed an authentication scheme for WBAN using bilinear pairing. However, in their scheme, an application provider could easily impersonate a client. In order to overcome this weakness, we propose an efficient remote authentication scheme for WBAN. In terms of performance, our scheme can not only provide a malicious insider security, but also reduce running time of WBAN (client) by 51 % as compared to Wang and Zhang scheme.

Staggered Orbital Currents in the Half-Filled Two-Leg Ladder

NASA Astrophysics Data System (ADS)

Fjaerestad, J. O.; Marston, Brad; Sudbo, A.

2002-03-01

We present strong analytical and numerical evidence for the existence of a staggered flux (SF) phase in the half-filled two-leg ladder, with true long-range order in the counter-circulating currents. Using abelian bosonization with a careful treatment of the Klein factors, we show that a certain phase of the half-filled ladder, previously identified as having spin-Peierls order, instead exhibits staggered orbital currents with no dimerization.(J. O. Fjærestad and J. B. Marston, cond- mat/0107094.) This result, combined with a weak-coupling renormalization-group analysis, implies that the SF phase exists in a region of the phase diagram of the half-filled t-U-V-J ladder. Using the density-matrix renormalization-group (DMRG) approach generalized to complex-valued wavefunctions, we demonstrate that the SF phase exhibits robust currents at intermediate values of the interaction strengths.

Temperature dependence of resonant secondary emission in NaNO 2: Spectral behavior

NASA Astrophysics Data System (ADS)

Kato, Riso; Kawaguchi, Yoshizo; Ashida, Masaaki

1990-05-01

Spectral behavior of resonant secondary emission in NaNO 2 has been investigated in the temperature range from 2 to 30 K under the excitation near the v00 line of the lowest singlet absorption. With increasing temperature, luminescence lines separated from multiple-order Raman lines become detectable even under the excitation with the off-resonance energy Δ c ≳ 13 cm -1. The intensity of the luminescence line IL( T) increases with temperature in proportion to the phonon number n( hvp, T) in the temperature range T ≲ Δ c/ k, while it increases more steeply in the range T ≳ Δ c/ k. The temperature dependence of IL( T) is ascribed to the increase in the luminescence from the v00 level after the one-phonon assisted transition to the level induced by the off-resonant incident light. The intensity of the Raman line IR( T) decreases gradually in 2-12 K range and shows rapid drop above 12 K. The temperature dependence of IR( T) is ascribed to the dephasing of the intermediate state due to the two-phonon interaction with the reservoir.

Long-Range Near-Side Angular Correlations in Proton-Proton Interactions in CMS.

ScienceCinema

None

2017-12-09

The CMS Collaboration Results on two-particle angular correlations for charged particles emitted in proton-proton collisions at center of mass energies of 0.9, 2.36 and 7TeV over a broad range of pseudorapidity (?) and azimuthal angle (f) are presented using data collected with the CMS detector at the LHC. Short-range correlations in ??, which are studied in minimum bias events, are characterized using a simple independent cluster parameterization in order to quantify their strength (cluster size) and their extent in ? (cluster decay width). Long-range azimuthal correlations are studied more differentially as a function of charged particle multiplicity and particle transverse momentum using a 980nb-1 data set at 7TeV. In high multiplicity events, a pronounced structure emerges in the two-dimensional correlation function for particles in intermediate pT’s of 1-3GeV/c, 2.0< |??|<4.8 and ?f˜0. This is the ?rst observation of such a ridge-like feature in two-particle correlation functions in pp or p-pbar collisions. EVO Universe, password "seminar"; Phone Bridge ID: 2330444 Password: 5142

The INF (Intermediate-Range Nuclear Forces) Controversy: A Confluence of Foreign and Domestic Interests.

DTIC Science & Technology

1986-09-01

AD-R175 303 THE INF (INTERMEDIRTE-RANSE NUCLEAR FORCES) 1/2 CONTROVERSY: A CONFLUENCE OF FOREIGN AND DOMESTIC INTERESTS(U) NAVAL POSTGRADUATE SCHOOL...on reverse if necessary and identify by block number) F:ELD I GROUP SUB-GROUP INF (Intermediate-Range Nuclear Forces, NATO, European Nuclear Capability...the United Kingdom, and several non- nuclear members of 14ATO are examined and analyzed. The analysis is concerned with alliance and transnational

77 FR 17557 - Self-Regulatory Organizations; Municipal Securities Rulemaking Board; Order Granting Approval of...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-26

... contain such an intermediate dealer and, since the November 2009 enhancement to transaction reporting to... elimination of the intermediate dealer reporting requirement, the RTRS Users Manual would be revised to delete... the Real-Time Transaction Reporting System March 20, 2012. I. Introduction On January 20, 2012, the...

The Relationship between Multiple Intelligences and Listening Self-Efficacy among Iranian EFL Learners

ERIC Educational Resources Information Center

Davoudi, Mohammad; Chavosh, Milad

2016-01-01

The present paper aimed at investigating the relationship between listening self-efficacy and multiple intelligences of Iranian EFL learners. Initially, ninety intermediate male learners were selected randomly from among 20 intermediate classes in a Language Academy in Yazd. In order to assure the homogeneity of the participants in terms of…

Vocabulary Learning Strategies of Iranian Upper-Intermediate EFL Learners

ERIC Educational Resources Information Center

Khatib, Mohammad; Hassanzadeh, Mohammad; Rezaei, Saeed

2011-01-01

This study examines the preferred vocabulary learning strategies of Iranian upper-intermediate EFL learners. In order to identify the aforementioned group in terms of language proficiency, a TOEFL test was administered to a population of 146 undergraduate EFL students at the university of Vali-e-Asr in Rafsanjan, Iran. Those scoring above 480 were…

Pulse homodyne field disturbance sensor

DOEpatents

McEwan, Thomas E.

1997-01-01

A field disturbance sensor operates with relatively low power, provides an adjustable operating range, is not hypersensitive at close range, allows co-location of multiple sensors, and is inexpensive to manufacture. The sensor includes a transmitter that transmits a sequence of transmitted bursts of electromagnetic energy. The transmitter frequency is modulated at an intermediate frequency. The sequence of bursts has a burst repetition rate, and each burst has a burst width and comprises a number of cycles at a transmitter frequency. The sensor includes a receiver which receives electromagnetic energy at the transmitter frequency, and includes a mixer which mixes a transmitted burst with reflections of the same transmitted burst to produce an intermediate frequency signal. Circuitry, responsive to the intermediate frequency signal indicates disturbances in the sensor field. Because the mixer mixes the transmitted burst with reflections of the transmitted burst, the burst width defines the sensor range. The burst repetition rate is randomly or pseudo-randomly modulated so that bursts in the sequence of bursts have a phase which varies. A second range-defining mode transmits two radio frequency bursts, where the time spacing between the bursts defines the maximum range divided by two.

Pulse homodyne field disturbance sensor

DOEpatents

McEwan, T.E.

1997-10-28

A field disturbance sensor operates with relatively low power, provides an adjustable operating range, is not hypersensitive at close range, allows co-location of multiple sensors, and is inexpensive to manufacture. The sensor includes a transmitter that transmits a sequence of transmitted bursts of electromagnetic energy. The transmitter frequency is modulated at an intermediate frequency. The sequence of bursts has a burst repetition rate, and each burst has a burst width and comprises a number of cycles at a transmitter frequency. The sensor includes a receiver which receives electromagnetic energy at the transmitter frequency, and includes a mixer which mixes a transmitted burst with reflections of the same transmitted burst to produce an intermediate frequency signal. Circuitry, responsive to the intermediate frequency signal indicates disturbances in the sensor field. Because the mixer mixes the transmitted burst with reflections of the transmitted burst, the burst width defines the sensor range. The burst repetition rate is randomly or pseudo-randomly modulated so that bursts in the sequence of bursts have a phase which varies. A second range-defining mode transmits two radio frequency bursts, where the time spacing between the bursts defines the maximum range divided by two. 12 figs.

The changing relationship between HbA1c and FPG according to different FPG ranges.

PubMed

Guan, X; Zheng, L; Sun, G; Guo, X; Li, Y; Song, H; Tian, F; Sun, Y

2016-05-01

Since the American Diabetes Association included hemoglobin A1c (HbA1c) in the diagnostic criteria for diabetes in 2010, the clinical use of HbA1c has remained controversial. We explored the use of HbA1c for diagnosing diabetes and intermediate hyperglycemia in comparison with fasting plasma glucose (FPG). We screened 3710 adult subjects (mean age = 55.24 years) comprising 1704 males and 2006 females. We drew an receiver operating characteristic (ROC) curve to evaluate the ability of HbA1c to diagnose diabetes and intermediate hyperglycemia according to FPG. We used Kappa coefficient and Pearson's correlation coefficient to evaluate the relationship between HbA1c and FPG in different FPG ranges. The areas under ROC curve to diagnose diabetes and intermediate hyperglycemia were 0.859 (95 % CI 0.827-0.892) and 0.633 (95 % CI 0.615-0.651). The kappa coefficients between FPG and HbA1c for diagnosis of diabetes and intermediate hyperglycemia were 0.601 (P < 0.001) and 0.104 (P < 0.001). The Pearson's correlation coefficient of FPG and HbA1c was 0.640 (P < 0.001), but when we classified FPG as normal, intermediate hyperglycemia and diabetes, the coefficients became 0.07 (P = 0.002), 0.185 (P < 0.001) and 0.760 (P < 0.001), respectively. The relationship between HbA1c and FPG changed according to the different FPG ranges. When FPG was higher, the relationship was stronger. HbA1c and FPG were highly consistent in diagnosing diabetes, but they were not in predicting intermediate hyperglycemia.

State of water in starch-water systems in the gelatinization temperature range as investigated using dielectric relaxation spectroscopy

NASA Astrophysics Data System (ADS)

Motwani, Tanuj

Starch-water interactions occurring during gelatinization are critical for developing a mechanistic understanding of the gelatinization process. The overall goal of this project was to investigate the state of water in starch-water systems in the gelatinization temperature range using dielectric relaxation spectroscopy. In the first part of the project, the dielectric response of native wheat starch-water slurries was measured at seven different starch concentrations between 5--60% starch (w/w) in the frequency range of 200 MHz--20 GHz at 25°C. The deconvolution of the dielectric spectra using the Debye model revealed presence of up to three relaxation processes. The relaxation time range of what were considered to be the high, intermediate and low frequency relaxations were 4--9 ps, 20--25 ps and 230--620 ps, respectively. The high frequency relaxation was observed at all starch concentrations, while the intermediate and low frequency relaxation were only observed at starch concentrations of 10% and above, and 30% and above, respectively. The high frequency relaxation was attributed to bulk water, while the intermediate and low frequency relaxations were attributed to rotationally restrained water molecules present in the starch-water system. To investigate the state of water in the gelatinization temperature range, the dielectric response, gelatinization enthalpy and water absorption by 10%, 30% or 50% starch slurries were measured after heating the slurries to different end temperatures between 40--90°C for 30 min. The high frequency relaxation time for 10% starch slurry dropped significantly (P<0.001) upon heating up to 60°C. For 30% and 50% starch slurries, high frequency relaxation times were not significantly influenced (P>0.159) by heating up to 80°C. The intermediate and low frequency relaxation times were not significantly influenced (P>0.712) by heating for all starch concentrations. Also, the amount of water associated with the three relaxations was not significantly influenced by heating (P >0.187). The water absorption results indicated that highest water uptake was achieved in the 10% starch slurry. The endothermic peak associated with gelatinization either vanished or was diminished after heating the slurries to 60°C and above, suggesting that native granular order was not necessary for the existence of the three separate states of water. In the second part of the project, the dielectric response of starch-water systems was investigated in the presence or absence of glucose or maltose. Dielectric response of 10% starch + 10% sugar, 10% starch + 20% sugar or 10% starch + 30% sugar slurries was measured in the frequency range of 200 MHz--20 GHz after heating the slurries to different end temperatures between 25--90°C for 30 min. The dielectric spectra of the slurries could be deconvoluted to obtain up to three Debye-type relaxations. The relaxation time range of high, intermediate and low frequency relaxations were 4--7 ps, 17--26 ps and 175--335 ps, respectively, at 25°C. The high frequency relaxation was the dominant relaxation in slurries containing 10% sugar, and the intermediate frequency relaxation was the dominant relaxation in slurries containing 30% sugar at 25°C. The high frequency relaxation time decreased upon heating up to 60°C but was not significantly influenced (P>0.102) by the concentration or the type of sugar. Intermediate and low frequency relaxation times were not significantly influenced (P>0.419) by heating or sugar type. The relative strengths of the intermediate frequency relaxation dropped while that of high frequency relaxation increased upon heating up to 50°C. The relative strength of low frequency relaxation (P>0.561) was not influenced by heating. The static dielectric constant decreased upon heating but was not influenced by the type of sugar or solids in the slurry. This indicated that the water molecules present in the system were the major contributors to the polarization observed. At the same concentration of solids, conductivity of the sugar containing slurries was lower than that of the non-sugar-containing starch slurries, which suggested that conductivity was mostly associated with starch. Glucose or maltose did not exert any differential effect on the swelling behavior or dielectric relaxation parameters of starch-water-sugar slurries. This project presents novel insights into the starch-water interactions occurring in the gelatinization temperature range. The results of this project can be used to develop a dielectric relaxation based technique to monitor water mobility during industrial processing of starch-based foods. Dielectric response was not unique to any of the solids used in the study suggesting that dielectric spectroscopy could be used for monitoring state of water in food systems containing different types of solids. Also, the dielectric relaxation parameters obtained in this study can be used to predict water mobility in simple food systems having water, sugar and starch as major components, and hence, can possibly be used to estimate shelf life of food products.

Intermediate selectivity in the oxidation of phenols using plasmonic Au/ZnO photocatalysts

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

Lin, Feng; Cojocaru, Bogdan E.; Williams, Luke S.

Tunable reaction selectivity on a single catalyst is a continual goal in chemical syntheses. Herein, we report an unexpected light-directed intermediate selectivity using well-known plasmonic photocatalysts. We observed distinct intermediate selectivity behaviors between using UV and visible light irradiations. Chemical computations and quenching experiments suggest that the radicals generated by the plasmonic excitation govern the light-directed selectivity. As a result, the broader impact of this work ranges from selective yield of desirable intermediates for subsequent syntheses without tedious separation procedures, to arousing interest in examining new opportunities for plasmonic photocatalysts.

Intermediate selectivity in the oxidation of phenols using plasmonic Au/ZnO photocatalysts

DOE PAGES

Lin, Feng; Cojocaru, Bogdan E.; Williams, Luke S.; ...

2017-06-20

Tunable reaction selectivity on a single catalyst is a continual goal in chemical syntheses. Herein, we report an unexpected light-directed intermediate selectivity using well-known plasmonic photocatalysts. We observed distinct intermediate selectivity behaviors between using UV and visible light irradiations. Chemical computations and quenching experiments suggest that the radicals generated by the plasmonic excitation govern the light-directed selectivity. As a result, the broader impact of this work ranges from selective yield of desirable intermediates for subsequent syntheses without tedious separation procedures, to arousing interest in examining new opportunities for plasmonic photocatalysts.

Evidence for a Shared Mechanism in the Formation of Urea-Induced Kinetic and Equilibrium Intermediates of Horse Apomyoglobin from Ultrarapid Mixing Experiments

PubMed Central

Mizukami, Takuya; Abe, Yukiko; Maki, Kosuke

2015-01-01

In this study, the equivalence of the kinetic mechanisms of the formation of urea-induced kinetic folding intermediates and non-native equilibrium states was investigated in apomyoglobin. Despite having similar structural properties, equilibrium and kinetic intermediates accumulate under different conditions and via different mechanisms, and it remains unknown whether their formation involves shared or distinct kinetic mechanisms. To investigate the potential mechanisms of formation, the refolding and unfolding kinetics of horse apomyoglobin were measured by continuous- and stopped-flow fluorescence over a time range from approximately 100 μs to 10 s, along with equilibrium unfolding transitions, as a function of urea concentration at pH 6.0 and 8°C. The formation of a kinetic intermediate was observed over a wider range of urea concentrations (0–2.2 M) than the formation of the native state (0–1.6 M). Additionally, the kinetic intermediate remained populated as the predominant equilibrium state under conditions where the native and unfolded states were unstable (at ~0.7–2 M urea). A continuous shift from the kinetic to the equilibrium intermediate was observed as urea concentrations increased from 0 M to ~2 M, which indicates that these states share a common kinetic folding mechanism. This finding supports the conclusion that these intermediates are equivalent. Our results in turn suggest that the regions of the protein that resist denaturant perturbations form during the earlier stages of folding, which further supports the structural equivalence of transient and equilibrium intermediates. An additional folding intermediate accumulated within ~140 μs of refolding and an unfolding intermediate accumulated in <1 ms of unfolding. Finally, by using quantitative modeling, we showed that a five-state sequential scheme appropriately describes the folding mechanism of horse apomyoglobin. PMID:26244984

Crystallization of DNA-coated colloids

PubMed Central

Wang, Yu; Wang, Yufeng; Zheng, Xiaolong; Ducrot, Étienne; Yodh, Jeremy S.; Weck, Marcus; Pine, David J.

2015-01-01

DNA-coated colloids hold great promise for self-assembly of programmed heterogeneous microstructures, provided they not only bind when cooled below their melting temperature, but also rearrange so that aggregated particles can anneal into the structure that minimizes the free energy. Unfortunately, DNA-coated colloids generally collide and stick forming kinetically arrested random aggregates when the thickness of the DNA coating is much smaller than the particles. Here we report DNA-coated colloids that can rearrange and anneal, thus enabling the growth of large colloidal crystals from a wide range of micrometre-sized DNA-coated colloids for the first time. The kinetics of aggregation, crystallization and defect formation are followed in real time. The crystallization rate exhibits the familiar maximum for intermediate temperature quenches observed in metallic alloys, but over a temperature range smaller by two orders of magnitude, owing to the highly temperature-sensitive diffusion between aggregated DNA-coated colloids. PMID:26078020

Counter-ions dynamics in highly plastic and conducting compounds of poly(aniline). A quasi-elastic neutron scattering study.

PubMed

Djurado, David; Bée, Marc; Sniechowski, Maciej; Howells, Spencer; Rannou, Patrice; Pron, Adam; Travers, J P; Luzny, Wojciech

2005-03-21

Proton dynamics in films of poly(aniline) "plastdoped" with di-esters of sulfophthalic (or sulfosuccinic) acids have been investigated by using quasi-elastic neutron scattering techniques. A broad time range (10(-13)-10(-9) s) has been explored by using four different spectrometers. In this time range, the dynamics is exclusively due to protons attached to the flexible tails of the counter-ions. A model of limited diffusion in spheres whose radii are distributed in size gives a realistic view of the geometry of molecular motions. However, it is found that the characteristic times of these motions are widely distributed over several orders of magnitude. The time decay of the intermediate scattering function is well described by a time power law. This behaviour is qualitatively discussed in connection with the structure of the systems and by comparison with other so-called complex systems.

Rectified directional sensing in long-range cell migration

PubMed Central

Nakajima, Akihiko; Ishihara, Shuji; Imoto, Daisuke; Sawai, Satoshi

2014-01-01

How spatial and temporal information are integrated to determine the direction of cell migration remains poorly understood. Here, by precise microfluidics emulation of dynamic chemoattractant waves, we demonstrate that, in Dictyostelium, directional movement as well as activation of small guanosine triphosphatase Ras at the leading edge is suppressed when the chemoattractant concentration is decreasing over time. This ‘rectification’ of directional sensing occurs only at an intermediate range of wave speed and does not require phosphoinositide-3-kinase or F-actin. From modelling analysis, we show that rectification arises naturally in a single-layered incoherent feedforward circuit with zero-order ultrasensitivity. The required stimulus time-window predicts ~5 s transient for directional sensing response close to Ras activation and inhibitor diffusion typical for protein in the cytosol. We suggest that the ability of Dictyostelium cells to move only in the wavefront is closely associated with rectification of adaptive response combined with local activation and global inhibition. PMID:25373620

Method for ambiguity resolution in range-Doppler measurements

NASA Technical Reports Server (NTRS)

Heymsfield, Gerald M. (Inventor); Miller, Lee S. (Inventor)

1994-01-01

A method for resolving range and Doppler target ambiguities when the target has substantial range or has a high relative velocity in which a first signal is generated and a second signal is also generated which is coherent with the first signal but at a slightly different frequency such that there exists a difference in frequency between these two signals of Delta f(sub t). The first and second signals are converted into a dual-frequency pulsed signal, amplified, and the dual-frequency pulsed signal is transmitted towards a target. A reflected dual-frequency signal is received from the target, amplified, and changed to an intermediate dual-frequency signal. The intermediate dual-frequency signal is amplified, with extracting of a shifted difference frequency Delta f(sub r) from the amplified intermediate dual-frequency signal done by a nonlinear detector. The final step is generating two quadrature signals from the difference frequency Delta f(sub t) and the shifted difference frequency Delta f(sub r) and processing the two quadrature signals to determine range and Doppler information of the target.

A thiamin-bound, pre-decarboxylation reaction intermediate analogue in the pyruvate dehydrogenase E1 subunit induces large scale disorder-to-order transformations in the enzyme and reveals novel structural features in the covalently bound adduct.

PubMed

Arjunan, Palaniappa; Sax, Martin; Brunskill, Andrew; Chandrasekhar, Krishnamoorthy; Nemeria, Natalia; Zhang, Sheng; Jordan, Frank; Furey, William

2006-06-02

The crystal structure of the E1 component from the Escherichia coli pyruvate dehydrogenase multienzyme complex (PDHc) has been determined with phosphonolactylthiamin diphosphate (PLThDP) in its active site. PLThDP serves as a structural and electrostatic analogue of the natural intermediate alpha-lactylthiamin diphosphate (LThDP), in which the carboxylate from the natural substrate pyruvate is replaced by a phosphonate group. This represents the first example of an experimentally determined, three-dimensional structure of a thiamin diphosphate (ThDP)-dependent enzyme containing a covalently bound, pre-decarboxylation reaction intermediate analogue and should serve as a model for the corresponding intermediates in other ThDP-dependent decarboxylases. Regarding the PDHc-specific reaction, the presence of PLThDP induces large scale conformational changes in the enzyme. In conjunction with the E1-PLThDP and E1-ThDP structures, analysis of a H407A E1-PLThDP variant structure shows that an interaction between His-407 and PLThDP is essential for stabilization of two loop regions in the active site that are otherwise disordered in the absence of intermediate analogue. This ordering completes formation of the active site and creates a new ordered surface likely involved in interactions with the lipoyl domains of E2s within the PDHc complex. The tetrahedral intermediate analogue is tightly held in the active site through direct hydrogen bonds to residues His-407, Tyr-599, and His-640 and reveals a new, enzyme-induced, strain-related feature that appears to aid in the decarboxylation process. This feature is almost certainly present in all ThDP-dependent decarboxylases; thus its inclusion in our understanding of general thiamin catalysis is important.

Order-disorder transition in conflicting dynamics leading to rank-frequency generalized beta distributions

NASA Astrophysics Data System (ADS)

Alvarez-Martinez, R.; Martinez-Mekler, G.; Cocho, G.

2011-01-01

The behavior of rank-ordered distributions of phenomena present in a variety of fields such as biology, sociology, linguistics, finance and geophysics has been a matter of intense research. Often power laws have been encountered; however, their validity tends to hold mainly for an intermediate range of rank values. In a recent publication (Martínez-Mekler et al., 2009 [7]), a generalization of the functional form of the beta distribution has been shown to give excellent fits for many systems of very diverse nature, valid for the whole range of rank values, regardless of whether or not a power law behavior has been previously suggested. Here we give some insight on the significance of the two free parameters which appear as exponents in the functional form, by looking into discrete probabilistic branching processes with conflicting dynamics. We analyze a variety of realizations of these so-called expansion-modification models first introduced by Wentian Li (1989) [10]. We focus our attention on an order-disorder transition we encounter as we vary the modification probability p. We characterize this transition by means of the fitting parameters. Our numerical studies show that one of the fitting exponents is related to the presence of long-range correlations exhibited by power spectrum scale invariance, while the other registers the effect of disordering elements leading to a breakdown of these properties. In the absence of long-range correlations, this parameter is sensitive to the occurrence of unlikely events. We also introduce an approximate calculation scheme that relates this dynamics to multinomial multiplicative processes. A better understanding through these models of the meaning of the generalized beta-fitting exponents may contribute to their potential for identifying and characterizing universality classes.

Geophysical Tests for Intermediate-Range Forces

DTIC Science & Technology

1993-11-01

34Feeble intermediate-range Gravitation, 1989, 154. Topics: AG,T, A forces from higher dimensions", Physical Review 60. Bell J. S., Perring J. K., ൝r...M., 134 Bell J. S., 60, 61 Coleman R., 389 Beltran-Lopez V., 359 Cabibbo N., 64 Coleman R. A ., 135 Bender P. L., 540 Calafiura P., 106 Cook A . H...of Zh. Eksp. Teor. Fiz., Selen M. A ., Shoemaker F. C., Smith A . J. S., 1985,88, 1946-1949.] Topics: SD,E,+ Blackmore E. W., Bryman D. A ., Felawka L

Self-assembly and structural relaxation in a model ionomer melt

DOE PAGES

Goswami, Monojoy; Borreguero, Jose M.; Sumpter, Bobby G.

2015-02-26

Molecular dynamics simulations are used to understand the self-assembly and structural relaxation in ionomer melts containing less than 10% degree of ionization on the backbone. We study the self-assembly of charged sites and counterions that show structural ordering and agglomeration with a range of structures that can be achieved by changing the dielectric constant of the medium. The intermediate scattering function shows a decoupling of charge and counterion relaxation at longer length scales for only high dielectric constant and at shorter length scales for all dielectric constants. Finally, the slow structural decay of counterions in the strongly correlated ionomer systemmore » closely resembles transport properties of semi-flexible polymers.« less

Does Explosive Nuclear Burning Occur in Tidal Disruption Events of White Dwarfs by Intermediate-mass Black Holes?

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

Tanikawa, Ataru; Sato, Yushi; Hachisu, Izumi

We investigate nucleosynthesis in tidal disruption events (TDEs) of white dwarfs (WDs) by intermediate-mass black holes. We consider various types of WDs with different masses and compositions by means of three-dimensional (3D) smoothed particle hydrodynamics (SPH) simulations. We model these WDs with different numbers of SPH particles, N , from a few 10{sup 4} to a few 10{sup 7} in order to check mass resolution convergence, where SPH simulations with N > 10{sup 7} (or a space resolution of several 10{sup 6} cm) have unprecedentedly high resolution in this kind of simulation. We find that nuclear reactions become less activemore » with increasing N and that these nuclear reactions are excited by spurious heating due to low resolution. Moreover, we find no shock wave generation. In order to investigate the reason for the absence of a shock wave, we additionally perform one-dimensional (1D) SPH and mesh-based simulations with a space resolution ranging from 10{sup 4} to 10{sup 7} cm, using a characteristic flow structure extracted from the 3D SPH simulations. We find shock waves in these 1D high-resolution simulations, one of which triggers a detonation wave. However, we must be careful of the fact that, if the shock wave emerged in an outer region, it could not trigger the detonation wave due to low density. Note that the 1D initial conditions lack accuracy to precisely determine where a shock wave emerges. We need to perform 3D simulations with ≲10{sup 6} cm space resolution in order to conclude that WD TDEs become optical transients powered by radioactive nuclei.« less

Electronic and magnetic properties of RMnO3/AMnO3 heterostructures

NASA Astrophysics Data System (ADS)

Yu, Rong; Yunoki, Seiji; Dong, Shuai; Dagotto, Elbio

2009-09-01

The ground-state properties of RMnO3/AMnO3 (RMO/AMO) heterostructures (with R=La,Pr,… , a trivalent rare-earth cation and A=Sr,Ca,… , a divalent alkaline cation) are studied using a two-orbital double-exchange model including the superexchange coupling and Jahn-Teller lattice distortions. To describe the charge transfer across the interface, the long-range Coulomb interaction is taken into account at the mean-field level, by self-consistently solving the Poisson’s equation. The calculations are carried out numerically on finite clusters. We find that the state stabilized near the interface of the heterostructure is similar to the state of the bulk compound (R,A)MO at electronic density close to 0.5. For instance, a charge and orbitally ordered CE state is found at the interface if the corresponding bulk (R,A)MO material is a narrow-to-intermediate bandwidth manganite. But instead the interface regime accommodates an A-type antiferromagnetic state with a uniform x2-y2 orbital order, if the bulk (R,A)MO corresponds to a wide bandwidth manganite. We argue that these results explain some of the properties of long-period (RMO)m/(AMO)n superlattices, such as (PrMnO3)m/(CaMnO3)n and (LaMnO3)m/(SrMnO3)n . We also remark that the intermediate states in between the actual interface and the bulklike regimes of the heterostructure are dependent on the bandwidth and the screening of the Coulomb interaction. In these regions of the heterostructures, states are found that do not have an analog in experimentally known bulk phase diagrams. These new states of the heterostructures provide a natural interpolation between magnetically ordered states that are stable in the bulk at different electronic densities.

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

Aromí, G.; Beavers, C. M.; Sánchez Costa, J.

Crystal-to-crystal transformations have been crucial in the understanding of solid-state processes, since these may be studied in detail by means of single crystal X-ray diffraction (SCXRD) techniques. The description of the mechanisms and potential intermediates of those processes remains very challenging. In fact, solid-state transient states have rarely been observed, at least to a sufficient level of detail. We have investigated the process of guest extrusion from the non-porous molecular material [Fe(bpp)(H 2L)](ClO 4) 2·1.5C 3H 6O (bpp = 2,6-bis(pyrazol-3-yl)pyridine; H 2L = 2,6-bis(5-(2-methoxyphenyl)-pyrazol-3-yl)pyridine; C 3H 6O = acetone), which occurs through ordered diffusion of acetone in a crystal-to-crystal manner,more » leading to dramatic structural changes. The slow kinetics of the transition allows thermal trapping of the system at various intermediate stages. The transiting single crystal can be then examined at these points through synchrotron SCXRD, offering a window upon the mechanism of the transformation at the molecular scale. These experiments have unveiled the development of an ordered intermediate phase, distinct from the initial and the final states, coexisting as the process advances with either of these two phases or, at a certain moment with both of them. The new intermediate phase has been structurally characterized in full detail by SCXRD, providing insights into the mechanism of this diffusion triggered solid-state phenomenon. Lastly, the process has been also followed by calorimetry, optical microscopy, local Raman spectroscopy and powder X-ray diffraction. The discovery and description of an intermediate ordered state in a molecular solid-state transformation is of great interest and will help to understand the mechanistic details and reaction pathways underlying these transformations.« less

A medium range order structural connection to the configurational heat capacity of borate-silicate mixed glasses.

PubMed

Liu, Hao; Smedskjaer, Morten M; Tao, Haizheng; Jensen, Lars R; Zhao, Xiujian; Yue, Yuanzheng

2016-04-28

It has been reported that the configurational heat capacity (C(p,conf)) first increases and then becomes saturated with increasing B2O3/SiO2 ratio in borate-silicate mixed glasses. Through Raman spectroscopy measurements, we have, in this work, found an implication for the intermediate range order (IRO) structural connection to the composition dependence of the C(p,conf) of borate-silicate mixed glasses. In the silica-rich compositions, the C(p,conf) rapidly increases with increasing B2O3 content. This is attributed to the increase of the content of the B-O-Si network units ([B2Si2O8](2-)) and 6-membered borate rings with 1 or 2 B(4). In the boron-rich compositions, the C(p,conf) is almost constant, independent of the increase in the B2O3/SiO2 ratio. This is likely attributed to the counteraction between the decrease of the fraction of two types of metaborate groups and the increase of the fraction of other borate superstructural units (particularly 6-membered borate rings). The overall results suggest that the glasses containing more types of superstructural units have a larger C(p,conf).

Neutron diffraction study of aqueous Laponite suspensions at the NIMROD diffractometer.

PubMed

Tudisca, V; Bruni, F; Scoppola, E; Angelini, R; Ruzicka, B; Zulian, L; Soper, A K; Ricci, M A

2014-09-01

The process of dynamical arrest, leading to formation of different arrested states such as glasses and gels, along with the closely related process of aging, is central for both basic research and technology. Here we report on a study of the time-dependent structural evolution of two aqueous Laponite clay suspensions at different weight concentrations. Neutron diffraction experiments have been performed with the near and intermediate range order diffractometer (NIMROD) that allows studies of the structure of liquids and disordered materials over a continuous length scale ranging from 1 to 300 Å, i.e., from the atomistic to the mesoscopic scales. NIMROD is presently a unique diffractometer, bridging the length scales traditionally investigated by small angle neutron scattering or small angle x-ray scattering with that accessible by traditional diffractometers for liquids. Interestingly, we have unveiled a signature of aging of both suspensions in the length scale region of NIMROD. This phenomenon, ascribed to sporadic contacts between Laponite platelets at long times, has been observed with the sample arrested as gel or as repulsive glass. Moreover, water molecules within the layers closest to Laponite platelets surface show orientational and translational order, which maps into the crystalline structure of Laponite.

Cytoplasmic peptidoglycan intermediate levels in Staphylococcus aureus.

PubMed

Vemula, Harika; Ayon, Navid J; Gutheil, William G

2016-02-01

Intracellular cytoplasmic peptidoglycan (PG) intermediate levels were determined in Staphylococcus aureus during log-phase growth in enriched media. Levels of UDP-linked intermediates were quantitatively determined using ion pairing LC-MS/MS in negative mode, and amine intermediates were quantitatively determined stereospecifically as their Marfey's reagent derivatives in positive mode. Levels of UDP-linked intermediates in S. aureus varied from 1.4 μM for UDP-GlcNAc-Enolpyruvyate to 1200 μM for UDP-MurNAc. Levels of amine intermediates (L-Ala, D-Ala, D-Ala-D-Ala, L-Glu, D-Glu, and L-Lys) varied over a range of from 860 μM for D-Ala-D-Ala to 30-260 mM for the others. Total PG was determined from the D-Glu content of isolated PG, and used to estimate the rate of PG synthesis (in terms of cytoplasmic metabolite flux) as 690 μM/min. The total UDP-linked intermediates pool (2490 μM) is therefore sufficient to sustain growth for 3.6 min. Comparison of UDP-linked metabolite levels with published pathway enzyme characteristics demonstrates that enzymes on the UDP-branch range from >80% saturation for MurA, Z, and C, to <5% saturation for MurB. Metabolite levels were compared with literature values for Escherichia coli, with the major difference in UDP-intermediates being the level of UDP-MurNAc, which was high in S. aureus (1200 μM) and low in E. coli (45 μM). Copyright © 2015 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

Examination of the Mechanism of Human Brain Aspartoacylase through the Binding of an Intermediate Analogue†‡

PubMed Central

Le Coq, Johanne; Pavlovsky, Alexander; Malik, Radhika; Sanishvili, Ruslan; Xu, Chengfu; Viola, Ronald E.

2009-01-01

Canavan disease is a fatal neurological disorder caused by the malfunctioning of a single metabolic enzyme, aspartoacylase, that catalyzes the deacetylation of N-acetyl-l-aspartate to produce l-aspartate and acetate. The structure of human brain aspartoacylase has been determined in complex with a stable tetrahedral intermediate analogue, N-phosphonomethyl-l-aspartate. This potent inhibitor forms multiple interactions between each of its heteroatoms and the substrate binding groups arrayed within the active site. The binding of the catalytic intermediate analogue induces the conformational ordering of several substrate binding groups, thereby setting up the active site for catalysis. The highly ordered binding of this inhibitor has allowed assignments to be made for substrate binding groups and provides strong support for a carboxypeptidase-type mechanism for the hydrolysis of the amide bond of the substrate, N-acetyl-l-aspartate. PMID:18293939

Examination of the mechanism of human brain aspartoacylase through the binding of an intermediate analogue.

PubMed

Le Coq, Johanne; Pavlovsky, Alexander; Malik, Radhika; Sanishvili, Ruslan; Xu, Chengfu; Viola, Ronald E

2008-03-18

Canavan disease is a fatal neurological disorder caused by the malfunctioning of a single metabolic enzyme, aspartoacylase, that catalyzes the deacetylation of N-acetyl-L-aspartate to produce L-aspartate and acetate. The structure of human brain aspartoacylase has been determined in complex with a stable tetrahedral intermediate analogue, N-phosphonomethyl-L-aspartate. This potent inhibitor forms multiple interactions between each of its heteroatoms and the substrate binding groups arrayed within the active site. The binding of the catalytic intermediate analogue induces the conformational ordering of several substrate binding groups, thereby setting up the active site for catalysis. The highly ordered binding of this inhibitor has allowed assignments to be made for substrate binding groups and provides strong support for a carboxypeptidase-type mechanism for the hydrolysis of the amide bond of the substrate, N-acetyl- l-aspartate.

Successive field-induced transitions in BiFeO 3 around room temperature

DOE PAGES

Kawachi, Shiro; Miyake, Atsushi; Ito, Toshimitsu; ...

2017-07-21

The effects of high magnetic fields applied perpendicular to the spontaneous ferroelectric polarization on single crystals of BiFeO 3 were investigated in this paper through magnetization, magnetostriction, and neutron diffraction measurements. The magnetostriction measurements revealed lattice distortion of 2 x 10 -5 during the reorientation process of the cycloidal spin order by applied magnetic fields. Furthermore, anomalous changes in magnetostriction and electric polarization at a larger field demonstrate an intermediate phase between cycloidal and canted antiferromagnetic states, where a large magnetoelectric effect was observed. Neutron diffraction measurements clarified that incommensurate spin modulation along the [110] hex direction in the cycloidalmore » phase becomes Q = 0 commensurate along this direction in the intermediate phase. Finally, theoretical calculations based on the standard spin Hamiltonian of this material suggest an antiferromagnetic cone-type spin order in the intermediate phase.« less

40 CFR 141.66 - Maximum contaminant levels for radionuclides.

Code of Federal Regulations, 2010 CFR

2010-07-01

... quality range andconsiderations. 1 1. Ion exchange (IE) (a) Intermediate All ground waters. 2. Point of.... Lime softening (d) Advanced All waters. 6. Green sand filtration (e) Basic. 7. Co-precipitation with Barium sulfate (f) Intermediate to Advanced Ground waters with suitable water quality. 8. Electrodialysis...

Rheology and Seismic Potential of Experimentally-Deformed Natural Serpentinites

NASA Astrophysics Data System (ADS)

Gasc, J.; Hilairet, N.; Wang, Y.; Yu, T.; Ferrand, T. P.; Schubnel, A.

2016-12-01

The origin of intermediate-depth earthquakes, which occur at depths of 60-300 km along subducting slabs, remains somehow enigmatic. In the pressure and temperature conditions involved, rocks should indeed deform in a ductile fashion. One, or more, mechanism is therefore responsible for mechanical instabilities. Dehydration embrittlement, due to serpentine breakdown, was long considered a good candidate. However, in recent years, experimental studies have challenged this theory, by showing that deformation and faulting of serpentinites, related to dehydration, occurs in a stable and aseismic way (Chernak and Hirth, 2011; Gasc et al., 2011). In order to assess the seismic potential of serpentinites, high pressure deformation experiments were carried out on natural samples, during which micro-seismicity was monitored by recording Acoustic Emissions (AE's). Deformation was performed at pressures of 3-5 GPa, using a Deformation-DIA device, and over a wide range of temperatures, both within and outside antigorite's stability field. The results show that, below 400 C, serpentinite deformation involves aseismic semi-brittle mechanisms, even in cases where strain localization is observed. At high temperature (i.e., above 600 C), despite conditions propitious to dehydration embrittlement (i.e., with fast strain rates and reaction kinetics), joint deformation and dehydration leads to ductile shear, without generation of AE's. On the other hand, a brittle temperature window, centered at ca. 500 C, is evidenced. In this latter case, AE's are consistently collected upon deformation and faulting with extremely sharp strain localization is observed. This brittle field may therefore be a source of seismicity in subducting slabs at mantle pressures. However, analysis of the acoustic signal shows that it is relatively orders of magnitude weaker than its real-earth counterparts, which suggests that other mechanisms are responsible for larger intermediate-depth earthquakes. In fact, recent results on samples composed of antigorite and olivine mixtures (Ferrand et al., under review), show that mechanical instabilities develop upon antigorite dehydration, thus suggesting that the largest intermediate-depth earthquakes arise in partly hydrated peridotites.

Elevated temperature tensile properties of P9 steel towards ferritic steel wrapper development for sodium cooled fast reactors

NASA Astrophysics Data System (ADS)

Choudhary, B. K.; Mathew, M. D.; Isaac Samuel, E.; Christopher, J.; Jayakumar, T.

2013-11-01

Tensile deformation and fracture behaviour of the three developmental heats of P9 steel for wrapper applications containing varying silicon in the range 0.24-0.60% have been examined in the temperature range 300-873 K. Yield and ultimate tensile strengths in all the three heats exhibited gradual decrease with increase in temperature from room to intermediate temperatures followed by rapid decrease at high temperatures. A gradual decrease in ductility to a minimum at intermediate temperatures followed by an increase at high temperatures has been observed. The fracture mode remained transgranular ductile. The steel displayed signatures of dynamic strain ageing at intermediate temperatures and dominance of recovery at high temperatures. No significant difference in the strength and ductility values was observed for varying silicon in the range 0.24-0.60% in P9 steel. P9 steel for wrapper application displayed strength and ductility values comparable to those reported in the literature.

Possible quadrupolar nematic phase in the frustrated spin chain LiCuSbO4: An NMR investigation

NASA Astrophysics Data System (ADS)

Bosiočić, M.; Bert, F.; Dutton, S. E.; Cava, R. J.; Baker, P. J.; Požek, M.; Mendels, P.

2017-12-01

The frustrated one-dimensional quantum magnet LiCuSbO4 is a rare realization of the J1-J2 spin chain model with an easily accessible saturation field, formerly estimated at 12 T. Exotic multipolar nematic phases were theoretically predicted in such compounds just below the saturation field, but without unambiguous experimental observation so far. In this paper we present extensive experimental research on the compound in a wide temperature (30 mK to 300 K) and field (0-13.3 T) range by muon spin rotation (μ SR ), 7Li nuclear magnetic resonance (NMR), and magnetic susceptibility (SQUID). μ SR experiments in zero magnetic field demonstrate the absence of long-range 3D ordering down to 30 mK. Together with former heat capacity data [Dutton et al., Phys. Rev. Lett. 108, 187206 (2012), 10.1103/PhysRevLett.108.187206], magnetic susceptibility measurements suggest a short-range-correlated vector chiral phase in the field range 0-4 T. At the intermediate-field values (5-12 T), the system enters a 3D-ordered spin density wave phase with 0.75 μB per copper site at lowest temperatures (125 mK), estimated by NMR. At still higher field, the magnetization is found to be saturated above 13 T where the spin lattice T1-1 relaxation reveals a spin gap estimated at 3.2(2) K. We narrow down the possibility of observing a multipolar nematic phase to the range 12.5-13 T.

Intermediality and the Child Performer

ERIC Educational Resources Information Center

Budd, Natasha

2016-01-01

This report details examples of praxis in the creation and presentation of "Joy Fear and Poetry": an intermedial theatre performance in which children aged 7-12 years generated aesthetic gestures using a range of new media forms. The impetus for the work's development was a desire to make an intervention into habituated patterns of…

Classical ferroelectriclike behavior of highly ordered Pb (S c1 /2N b1 /2)O3 studied by dielectric and Brillouin scattering spectroscopy

NASA Astrophysics Data System (ADS)

Sivasubramanian, V.; Subramanian, V.; Kojima, S.

2016-02-01

The ferroelectric phase transition behavior in the highly ordered Pb (S c1 /2N b1 /2) O3 has been investigated by the dielectric and Brillouin spectroscopy. The dielectric permittivity ɛr exhibits a sharp maximum without any frequency dispersion at its Curie temperature Tc. In the temperature range far above Tc, it was noted that the dielectric permittivity exhibits a noticeable deviation from the Curie-Weiss law below the characteristic intermediate temperature T*=500 K , which is common to most of the Pb-based oxide perovskite relaxors. Upon cooling, the frequency of the longitudinal acoustic phonon mode exhibits a remarkable softening towards Tc. The relaxation time of the order parameter calculated using the Landau-Khalatnikov approach was determined to be more than one order of magnitude lower than that of the disordered Pb (S c1 /2N b1 /2)O3 and is very close to that observed in the paraelectric phase of the classical ferroelectric, BaTi O3 . The observed dielectric and relaxation features are qualitatively discussed in terms of the difference in the strength of the random electric fields.

Solving ODE Initial Value Problems With Implicit Taylor Series Methods

NASA Technical Reports Server (NTRS)

Scott, James R.

2000-01-01

In this paper we introduce a new class of numerical methods for integrating ODE initial value problems. Specifically, we propose an extension of the Taylor series method which significantly improves its accuracy and stability while also increasing its range of applicability. To advance the solution from t (sub n) to t (sub n+1), we expand a series about the intermediate point t (sub n+mu):=t (sub n) + mu h, where h is the stepsize and mu is an arbitrary parameter called an expansion coefficient. We show that, in general, a Taylor series of degree k has exactly k expansion coefficients which raise its order of accuracy. The accuracy is raised by one order if k is odd, and by two orders if k is even. In addition, if k is three or greater, local extrapolation can be used to raise the accuracy two additional orders. We also examine stability for the problem y'= lambda y, Re (lambda) less than 0, and identify several A-stable schemes. Numerical results are presented for both fixed and variable stepsizes. It is shown that implicit Taylor series methods provide an effective integration tool for most problems, including stiff systems and ODE's with a singular point.

Dynamic Brazilian Test of Rock Under Intermediate Strain Rate: Pendulum Hammer-Driven SHPB Test and Numerical Simulation

NASA Astrophysics Data System (ADS)

Zhu, W. C.; Niu, L. L.; Li, S. H.; Xu, Z. H.

2015-09-01

The tensile strength of rock subjected to dynamic loading constitutes many engineering applications such as rock drilling and blasting. The dynamic Brazilian test of rock specimens was conducted with the split Hopkinson pressure bar (SHPB) driven by pendulum hammer, in order to determine the indirect tensile strength of rock under an intermediate strain rate ranging from 5.2 to 12.9 s-1, which is achieved when the incident bar is impacted by pendulum hammer with different velocities. The incident wave excited by pendulum hammer is triangular in shape, featuring a long rising time, and it is considered to be helpful for achieving a constant strain rate in the rock specimen. The dynamic indirect tensile strength of rock increases with strain rate. Then, the numerical simulator RFPA-Dynamics, a well-recognized software for simulating the rock failure under dynamic loading, is validated by reproducing the Brazilian test of rock when the incident stress wave retrieved at the incident bar is input as the boundary condition, and then it is employed to study the Brazilian test of rock under the higher strain rate. Based on the numerical simulation, the strain-rate dependency of tensile strength and failure pattern of the Brazilian disc specimen under the intermediate strain rate are numerically simulated, and the associated failure mechanism is clarified. It is deemed that the material heterogeneity should be a reason for the strain-rate dependency of rock.

Mixed fuel strategy for carbon deposition mitigation in solid oxide fuel cells at intermediate temperatures.

PubMed

Su, Chao; Chen, Yubo; Wang, Wei; Ran, Ran; Shao, Zongping; Diniz da Costa, João C; Liu, Shaomin

2014-06-17

In this study, we propose and experimentally verified that methane and formic acid mixed fuel can be employed to sustain solid oxide fuel cells (SOFCs) to deliver high power outputs at intermediate temperatures and simultaneously reduce the coke formation over the anode catalyst. In this SOFC system, methane itself was one part of the fuel, but it also played as the carrier gas to deliver the formic acid to reach the anode chamber. On the other hand, the products from the thermal decomposition of formic acid helped to reduce the carbon deposition from methane cracking. In order to clarify the reaction pathways for carbon formation and elimination occurring in the anode chamber during the SOFC operation, O2-TPO and SEM analysis were carried out together with the theoretical calculation. Electrochemical tests demonstrated that stable and high power output at an intermediate temperature range was well-maintained with a peak power density of 1061 mW cm(-2) at 750 °C. With the synergic functions provided by the mixed fuel, the SOFC was running for 3 days without any sign of cell performance decay. In sharp contrast, fuelled by pure methane and tested at similar conditions, the SOFC immediately failed after running for only 30 min due to significant carbon deposition. This work opens a new way for SOFC to conquer the annoying problem of carbon deposition just by properly selecting the fuel components to realize their synergic effects.

Measuring Intermediate-Mass Black-Hole Binaries with Advanced Gravitational Wave Detectors.

PubMed

Veitch, John; Pürrer, Michael; Mandel, Ilya

2015-10-02

We perform a systematic study to explore the accuracy with which the parameters of intermediate-mass black-hole binary systems can be measured from their gravitational wave (GW) signatures using second-generation GW detectors. We make use of the most recent reduced-order models containing inspiral, merger, and ringdown signals of aligned-spin effective-one-body waveforms to significantly speed up the calculations. We explore the phenomenology of the measurement accuracies for binaries with total masses between 50M(⊙) and 500M(⊙) and mass ratios between 0.1 and 1. We find that (i) at total masses below ∼200M(⊙), where the signal-to-noise ratio is dominated by the inspiral portion of the signal, the chirp mass parameter can be accurately measured; (ii) at higher masses, the information content is dominated by the ringdown, and total mass is measured more accurately; (iii) the mass of the lower-mass companion is poorly estimated, especially at high total mass and more extreme mass ratios; and (iv) spin cannot be accurately measured for our injection set with nonspinning components. Most importantly, we find that for binaries with nonspinning components at all values of the mass ratio in the considered range and at a network signal-to-noise ratio of 15, analyzed with spin-aligned templates, the presence of an intermediate-mass black hole with mass >100M(⊙) can be confirmed with 95% confidence in any binary that includes a component with a mass of 130M(⊙) or greater.

X-ray absorption spectroscopy with time-tagged photon counting: Application to study the structure of Co(I) intermediate of H2 evolving photo-catalyst

PubMed Central

Smolentsev, Grigory; Guda, Alexander; Janousch, Markus; Frieh, Cristophe; Jud, Gaudenz; Zamponi, Flavio; Chavarot-Kerlidou, Murielle; Artero, Vincent; van Bokhoven, Jeroen A.; Nachtegaal, Maarten

2015-01-01

In order to probe the structure of reaction intermediates of photochemical reactions a new setup for laser-initiated time-resolved X-ray absorption (XAS) measurements has been developed. With this approach the arrival time of each photon in respect to the laser pulse is measured and therefore full kinetic information is obtained. All X-rays that reach the detector are used to measure this kinetic information and therefore the detection efficiency of this method is high. The newly developed setup is optimized for time-resolved experiments in the microsecond range for samples with relatively low metal concentration (~1mM). This setup has been applied to study a multicomponent photocatalytic system with a Co(dmgBF2)2 catalyst (dmg2− = dimethylglyoximato dianion), [Ru(bpy)3]2+ chromophore (bpy=2,2′-bipyridine) and methyl viologen as the electron relay. On the basis of analysis of hundreds of Co K-edge XAS spectra corresponding to different delay times after the laser excitation of the chromophore, the presence of a Co(I) intermediate is confirmed. The calculated X-ray transient signal for a model of Co(I) state with a 0.14 Å displacement of Co out of the dmg ligand plane and with the closest solvent molecule at a distance of 2.06 Å gives reasonable agreement with the experimental data. PMID:25415460

Intermediate load-center photovoltaic application experiments

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

Burgess, E. L.

1980-01-01

A total of nine intermediate load-center photovoltaic systems were carried into the construction phase this year. These nine systems range in size from 20 to 225 kW/sub p/ electrical output and total almost 1 MW/sub p/. They are being installed in a diverse set of applications and locations and represent the bulk of the photovoltaic initial system evaluation experiments (ISEE) for the intermediate load-center sector. Each of these experiments are briefly described and the status of the construction phase is given for each project.

Evidence for different accretion regimes in GRO J1008-57

NASA Astrophysics Data System (ADS)

Kühnel, Matthias; Fürst, Felix; Pottschmidt, Katja; Kreykenbohm, Ingo; Ballhausen, Ralf; Falkner, Sebastian; Rothschild, Richard E.; Klochkov, Dmitry; Wilms, Jörn

2017-11-01

We present a comprehensive spectral analysis of the BeXRB GRO J1008-57 over a luminosity range of three orders of magnitude using NuSTAR, Suzaku, and RXTE data. We find significant evolution of the spectral parameters with luminosity. In particular, the photon index hardens with increasing luminosity at intermediate luminosities in the range 1036-1037 erg s-1. This evolution is stable and repeatedly observed over different outbursts. However, at the extreme ends of the observed luminosity range, we find that the correlation breaks down, with a significance level of at least 3.7σ. We conclude that these changes indicate transitions to different accretion regimes, which are characterized by different deceleration processes, such as Coulomb or radiation breaking. We compare our observed luminosity levels of these transitions to theoretical predications and discuss the variation of those theoretical luminosity values with fundamental neutron star parameters. Finally, we present detailed spectroscopy of the unique "triple peaked" outburst in 2014/15 which does not fit in the general parameter evolution with luminosity. The pulse profile on the other hand is consistent with what is expected at this luminosity level, arguing against a change in accretion geometry. In summary, GRO J1008-57 is an ideal target to study different accretion regimes due to the well-constrained evolution of its broad-band spectral continuum over several orders of magnitude in luminosity.

Kinetics of silicide formation over a wide range of heating rates spanning six orders of magnitude

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

Molina-Ruiz, Manel; Lopeandía, Aitor F.; Gonzalez-Silveira, Marta

Kinetic processes involving intermediate phase formation are often assumed to follow an Arrhenius temperature dependence. This behavior is usually inferred from limited data over narrow temperature intervals, where the exponential dependence is generally fully satisfied. However, direct evidence over wide temperature intervals is experimentally challenging and data are scarce. Here, we report a study of silicide formation between a 12 nm film of palladium and 15 nm of amorphous silicon in a wide range of heating rates, spanning six orders of magnitude, from 0.1 to 10{sup 5 }K/s, or equivalently more than 300 K of variation in reaction temperature. The calorimetric traces exhibit severalmore » distinct exothermic events related to interdiffusion, nucleation of Pd{sub 2}Si, crystallization of amorphous silicon, and vertical growth of Pd{sub 2}Si. Interestingly, the thickness of the initial nucleation layer depends on the heating rate revealing enhanced mass diffusion at the fastest heating rates during the initial stages of the reaction. In spite of this, the formation of the silicide strictly follows an Arrhenius temperature dependence over the whole temperature interval explored. A kinetic model is used to fit the calorimetric data over the complete heating rate range. Calorimetry is complemented by structural analysis through transmission electron microscopy and both standard and in-situ synchrotron X-ray diffraction.« less

Investigations into the Structure and Dynamics of Chalcogenide Glasses using High-Resolution Nuclear Magnetic Resonance Spectroscopy

NASA Astrophysics Data System (ADS)

Kaseman, Derrick Charles

Chalcogenide glasses constitute an important class of materials that are sulfides, selenides or tellurides of group IV and/or V elements, namely Ge, As, P and Si with minor concentrations of other elements such as Ga, Sb, In. Because of their infrared transparency that can be tuned by changing chemistry and can be actively altered by exposure to band gap irradiation, chalcogenide glasses find use in passive and active optical devices for applications in the areas of photonics, remote sensing and memory technology. Therefore, it is important to establish predictive models of structure-property relationships for these materials for optimization of their physical properties for various applications. Structural elucidation of chalcogenide glasses is experimentally challenging and in order to make predictive structural models, structural units at both short and intermediate -range length scales must be identified and quantified. Nuclear Magnetic Resonance (NMR) spectroscopy is an element-specific structural probe that is uniquely suited for this task, but resolution and sensitivity issues have severely limited the applications of such techniques in the past. The recent development of multi-dimensional solid-state NMR techniques, such as Phase Adjusted Spinning Sidebands (PASS) and Magic Angle Turning (MAT) can potentially alleviate such issues. In this study novel two-dimensional, high-resolution 77Se and 125Te MATPASS NMR spectroscopic techniques are utilized to elucidate quantitatively the compositional evolution of the short- and intermediate- range atomic structure in three binary chalcogenide glass-forming systems, namely: GexSe100-x, AsxSe100-x , and AsxTe100-x. The spectroscopic results provide unambiguous site speciation and quantification for short- and intermediate-range structural motifs present in these glasses. In turn, for all systems, robust structural models and the corresponding structure-property relationships are successfully established as a function of composition. The results indicate that the physical properties are intimately tied to the topology and chemical order present in each system. Finally, a dynamic version of the two-dimensional 31P PASS NMR spectroscopy is used to study the molecular motion in a supercooled chalcogenide liquid of composition P5Se3. The results clearly display the presence of isotropic rotational reorientation of the constituent molecules at timescales significantly decoupled from that of the structural relaxation near and above Tg. This behavior is atypical of conventional molecular glasses in organic systems in which rotational and translational dynamics remain coupled near Tg. When taken together with previous reports on the dynamics of other globular inorganic molecules, the results support the existence of a "plastic glass" phase where the molecules perform rapid rotation without significant translation.

Psychoactive medication use in intermediate-care facility residents.

PubMed

Beers, M; Avorn, J; Soumerai, S B; Everitt, D E; Sherman, D S; Salem, S

1988-11-25

Despite the large number of elderly patients in nursing homes and the intensity of medication use there, few current data are available on patterns of medication use in this setting. We studied all medication use among 850 residents of 12 representative intermediate-care facilities in Massachusetts. Data on all prescriptions and patterns of actual use were recorded for all patients during one month. On average, residents were prescribed 8.1 medications during the month (interquartile range, 7.4 to 8.8) and actually received 4.7 (range, 4.2 to 5.4) medications during this period. More than half of all residents were receiving a psychoactive medication, with 26% receiving antipsychotic medication. Twenty-eight percent of patients were receiving sedative/hypnotics during the study month, primarily on a scheduled rather than an as-needed basis. Of patients receiving a sedative/hypnotic, 26% (range, 14% to 41%) were taking diphenhydramine hydrochloride, a strongly anticholinergic hypnotic. Of those receiving one of the benzodiazepines, 30% were receiving long-acting drugs, generally not recommended for elderly patients. The typical benzodiazepine dose was equivalent to 7.3 mg per patient per day of diazepam. The most commonly used antidepressant was amitriptyline hydrochloride, the most sedating and anticholinergic antidepressant in common use. These data indicate that despite growing evidence of the risks of psychoactive drug use in elderly patients, the nursing home population studied was exposed to high levels of sedative/hypnotic and antipsychotic drug use. Suboptimal choice of medication within a given class was common, and use of standing vs as-needed orders was often not in keeping with current concepts in geriatric psychopharmacology. Additional research is needed to assess the impact of such drug therapy on cognitive and physical functioning, as well as to determine how best to improve patterns of medication use in this vulnerable population.

Influence of Magnesium Content on the Local Structure of Amorphous Calcium Carbonate (ACC): Real Time Determination by In Situ PDF Analysis

NASA Astrophysics Data System (ADS)

Mergelsberg, S. T.; Ulrich, R. N.; Michel, F. M.; Dove, P. M.

2016-12-01

Calcium carbonate minerals are an essential component in the exoskeletons of crustaceans and mollusks. The onset of exoskeleton mineralization includes the precipitation of amorphous calcium carbonate (ACC) as a reactive intermediate that later transforms to produce diverse structures. Despite the importance of ACC as a critical phase during skeleton formation, the chemical and physical properties are not well characterized at conditions that approximate biological environments. Of particular interest are the solubility of ACC, the short-range structure at the time of formation, and the evolution of ACC structure to final products. Recent advances showing the widespread occurrence of multistep pathways to mineralization in biological and geological settings (De Yoreo et al., 2015) underline the importance of understanding amorphous intermediates. Using quantitative laboratory techniques developed by our research group (Blue et al., 2013; Blue and Dove, 2015; Blue et al., in press), this experimental study quantifies the solubility of ACC in parallel with the physical characterization of the corresponding structure. We measured ACC solubility at specific time points during the precipitation and during its subsequent evolution under the mild pH conditions that approximate biological and environmental conditions. In parallel experiments, structural data were collected from in situ pair distribution function (PDF) analyses were conducted to follow the evolution of individual samples from initial precipitation to final product. The measurements are leading to a quantitative solubility function for ACC with variable Mg contents and an x-ray based understanding of ACC structure in the same particles. We are also finding temporal changes in the short-range order of ACC after precipitation and this order is dependent upon Mg content. Moreover, the data show Mg distribution through the ACC particles is dependent upon total alkalinity. Insights from this study hold promise for better understanding the nature of the initial ACC that forms and factors that influence its structural evolution to final products.

An informational transition in conditioned Markov chains: Applied to genetics and evolution.

PubMed

Zhao, Lei; Lascoux, Martin; Waxman, David

2016-08-07

In this work we assume that we have some knowledge about the state of a population at two known times, when the dynamics is governed by a Markov chain such as a Wright-Fisher model. Such knowledge could be obtained, for example, from observations made on ancient and contemporary DNA, or during laboratory experiments involving long term evolution. A natural assumption is that the behaviour of the population, between observations, is related to (or constrained by) what was actually observed. The present work shows that this assumption has limited validity. When the time interval between observations is larger than a characteristic value, which is a property of the population under consideration, there is a range of intermediate times where the behaviour of the population has reduced or no dependence on what was observed and an equilibrium-like distribution applies. Thus, for example, if the frequency of an allele is observed at two different times, then for a large enough time interval between observations, the population has reduced or no dependence on the two observed frequencies for a range of intermediate times. Given observations of a population at two times, we provide a general theoretical analysis of the behaviour of the population at all intermediate times, and determine an expression for the characteristic time interval, beyond which the observations do not constrain the population's behaviour over a range of intermediate times. The findings of this work relate to what can be meaningfully inferred about a population at intermediate times, given knowledge of terminal states. Copyright © 2016 Elsevier Ltd. All rights reserved.

The Effect of Error Correction vs. Error Detection on Iranian Pre-Intermediate EFL Learners' Writing Achievement

ERIC Educational Resources Information Center

Abedi, Razie; Latifi, Mehdi; Moinzadeh, Ahmad

2010-01-01

This study tries to answer some ever-existent questions in writing fields regarding approaching the most effective ways to give feedback to students' errors in writing by comparing the effect of error correction and error detection on the improvement of students' writing ability. In order to achieve this goal, 60 pre-intermediate English learners…

Rearrest and Probation Violation Outcomes among Probationers Participating in a Jail-Based Substance-Abuse Treatment Used as an Intermediate Sanction

ERIC Educational Resources Information Center

Linhorst, Donald M.; Dirks-Linhorst, P. Ann; Groom, Ralph

2012-01-01

This study compares the characteristics of two groups of probationers ordered to jail-based substance-abuse treatment as an intermediate sanction. It further reviews rearrest and probation failure outcomes of the two groups, along with the demographic, clinical, and criminal factors associated with those outcomes. Probationers jailed for probation…

A quasispecies approach to the evolution of sexual replication in unicellular organisms.

PubMed

Tannenbaum, Emmanuel; Fontanari, José F

2008-03-01

This study develops a simplified model describing the evolutionary dynamics of a population composed of obligate sexually and asexually reproducing, unicellular organisms. The model assumes that the organisms have diploid genomes consisting of two chromosomes, and that the sexual organisms replicate by first dividing into haploid intermediates, which then combine with other haploids, followed by the normal mitotic division of the resulting diploid into two new daughter cells. We assume that the fitness landscape of the diploids is analogous to the single-fitness-peak approach often used in single-chromosome studies. That is, we assume a master chromosome that becomes defective with just one point mutation. The diploid fitness then depends on whether the genome has zero, one, or two copies of the master chromosome. We also assume that only pairs of haploids with a master chromosome are capable of combining so as to produce sexual diploid cells, and that this process is described by second-order kinetics. We find that, in a range of intermediate values of the replication fidelity, sexually reproducing cells can outcompete asexual ones, provided the initial abundance of sexual cells is above some threshold value. The range of values where sexual reproduction outcompetes asexual reproduction increases with decreasing replication rate and increasing population density. We critically evaluate a common approach, based on a group selection perspective, used to study the competition between populations and show its flaws in addressing the evolution of sex problem.

Equilibrium and ultrafast kinetic studies manipulating electron transfer: A short-lived flavin semiquinone is not sufficient for electron bifurcation

DOE PAGES

Hoben, John P.; Lubner, Carolyn E.; Ratzloff, Michael W.; ...

2017-06-14

Flavin-based electron transfer bifurcation is emerging as a fundamental and powerful mechanism for conservation and deployment of electrochemical energy in enzymatic systems. In this process, a pair of electrons is acquired at intermediate reduction potential (i.e. intermediate reducing power) and each electron is passed to a different acceptor, one with lower and the other with higher reducing power, leading to 'bifurcation'. It is believed that a strongly reducing semiquinone species is essential for this process, and it is expected that this species should be kinetically short-lived. We now demonstrate that presence of a short-lived anionic flavin semiquinone (ASQ) is notmore » sufficient to infer existence of bifurcating activity, although such a species may be necessary for the process. We have used transient absorption spectroscopy to compare the rates and mechanisms of decay of ASQ generated photochemically in bifurcating NADH-dependent ferredoxin-NADP + oxidoreductase and the non-bifurcating flavoproteins nitroreductase, NADH oxidase and flavodoxin. We found that different mechanisms dominate ASQ decay in the different protein environments, producing lifetimes ranging over two orders of magnitude. Capacity for electron transfer among redox cofactors vs. charge recombination with nearby donors can explain the range of ASQ lifetimes we observe. In conclusion, our results support a model wherein efficient electron propagation can explain the short lifetime of the ASQ of bifurcating NADH-dependent ferredoxin-NADP + oxidoreductase I, and can be an indication of capacity for electron bifurcation.« less

Equilibrium and ultrafast kinetic studies manipulating electron transfer: A short-lived flavin semiquinone is not sufficient for electron bifurcation

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

Hoben, John P.; Lubner, Carolyn E.; Ratzloff, Michael W.

Flavin-based electron transfer bifurcation is emerging as a fundamental and powerful mechanism for conservation and deployment of electrochemical energy in enzymatic systems. In this process, a pair of electrons is acquired at intermediate reduction potential (i.e. intermediate reducing power) and each electron is passed to a different acceptor, one with lower and the other with higher reducing power, leading to 'bifurcation'. It is believed that a strongly reducing semiquinone species is essential for this process, and it is expected that this species should be kinetically short-lived. We now demonstrate that presence of a short-lived anionic flavin semiquinone (ASQ) is notmore » sufficient to infer existence of bifurcating activity, although such a species may be necessary for the process. We have used transient absorption spectroscopy to compare the rates and mechanisms of decay of ASQ generated photochemically in bifurcating NADH-dependent ferredoxin-NADP + oxidoreductase and the non-bifurcating flavoproteins nitroreductase, NADH oxidase and flavodoxin. We found that different mechanisms dominate ASQ decay in the different protein environments, producing lifetimes ranging over two orders of magnitude. Capacity for electron transfer among redox cofactors vs. charge recombination with nearby donors can explain the range of ASQ lifetimes we observe. In conclusion, our results support a model wherein efficient electron propagation can explain the short lifetime of the ASQ of bifurcating NADH-dependent ferredoxin-NADP + oxidoreductase I, and can be an indication of capacity for electron bifurcation.« less

Phage display selection of fully human antibody fragments to inhibit growth-promoting effects of glycine-extended gastrin 17 on human colorectal cancer cells.

PubMed

Khajeh, Shirin; Tohidkia, Mohammad Reza; Aghanejad, Ayuob; Mehdipour, Tayebeh; Fathi, Farzaneh; Omidi, Yadollah

2018-06-09

Glycine-extended gastrin 17 (G17-Gly), a dominant processing intermediate of gastrin gene, has been implicated in the development or maintenance of colorectal cancers (CRCs). Hence, neutralizing G17-Gly activity by antibody entities can provide a potential therapeutic strategy in the patients with CRCs. To this end, we isolated fully human antibody fragments from a phage antibody library through biopanning against different epitopes of G17-Gly in order to obtain the highest possible antibody diversity. ELISA screening and sequence analysis identified 2 scFvs and 4 V L antibody fragments. Kinetic analysis of the antibody fragments by SPR revealed K D values to be in the nanomolar range (87.9-334 nM). The selected anti-G17-Gly antibody fragments were analyzed for growth inhibition and apoptotic assays in a CRC cell line, HCT-116, which is well-characterized for expressing gastrin intermediate species but not amidated gastrin. The antibody fragments exhibited significant inhibition of HCT-116 cells proliferation ranging from 36.5 to 73% of controls. Further, Annexin V/PI staining indicated that apoptosis rates of scFv H8 and V L G8 treated cells were 45.8 and 63%, respectively. Based on these results, we for the first time, demonstrated the isolation of anti-G17-Gly human scFv and V L antibodies with potential therapeutic applications in G17-Gly-responsive tumors.

Equilibrium and ultrafast kinetic studies manipulating electron transfer: A short-lived flavin semiquinone is not sufficient for electron bifurcation.

PubMed

Hoben, John P; Lubner, Carolyn E; Ratzloff, Michael W; Schut, Gerrit J; Nguyen, Diep M N; Hempel, Karl W; Adams, Michael W W; King, Paul W; Miller, Anne-Frances

2017-08-25

Flavin-based electron transfer bifurcation is emerging as a fundamental and powerful mechanism for conservation and deployment of electrochemical energy in enzymatic systems. In this process, a pair of electrons is acquired at intermediate reduction potential ( i.e. intermediate reducing power), and each electron is passed to a different acceptor, one with lower and the other with higher reducing power, leading to "bifurcation." It is believed that a strongly reducing semiquinone species is essential for this process, and it is expected that this species should be kinetically short-lived. We now demonstrate that the presence of a short-lived anionic flavin semiquinone (ASQ) is not sufficient to infer the existence of bifurcating activity, although such a species may be necessary for the process. We have used transient absorption spectroscopy to compare the rates and mechanisms of decay of ASQ generated photochemically in bifurcating NADH-dependent ferredoxin-NADP + oxidoreductase and the non-bifurcating flavoproteins nitroreductase, NADH oxidase, and flavodoxin. We found that different mechanisms dominate ASQ decay in the different protein environments, producing lifetimes ranging over 2 orders of magnitude. Capacity for electron transfer among redox cofactors versus charge recombination with nearby donors can explain the range of ASQ lifetimes that we observe. Our results support a model wherein efficient electron propagation can explain the short lifetime of the ASQ of bifurcating NADH-dependent ferredoxin-NADP + oxidoreductase I and can be an indication of capacity for electron bifurcation.

Sensitivity of gravitational wave searches to the full signal of intermediate-mass black hole binaries during the first observing run of Advanced LIGO

NASA Astrophysics Data System (ADS)

Calderón Bustillo, Juan; Salemi, Francesco; Dal Canton, Tito; Jani, Karan P.

2018-01-01

The sensitivity of gravitational wave searches for binary black holes is estimated via the injection and posterior recovery of simulated gravitational wave signals in the detector data streams. When a search reports no detections, the estimated sensitivity is then used to place upper limits on the coalescence rate of the target source. In order to obtain correct sensitivity and rate estimates, the injected waveforms must be faithful representations of the real signals. Up to date, however, injected waveforms have neglected radiation modes of order higher than the quadrupole, potentially biasing sensitivity and coalescence rate estimates. In particular, higher-order modes are known to have a large impact in the gravitational waves emitted by intermediate-mass black holes binaries. In this work, we evaluate the impact of this approximation in the context of two search algorithms run by the LIGO Scientific Collaboration in their search for intermediate-mass black hole binaries in the O1 LIGO Science Run data: a matched filter-based pipeline and a coherent unmodeled one. To this end, we estimate the sensitivity of both searches to simulated signals for nonspinning binaries including and omitting higher-order modes. We find that omission of higher-order modes leads to biases in the sensitivity estimates which depend on the masses of the binary, the search algorithm, and the required level of significance for detection. In addition, we compare the sensitivity of the two search algorithms across the studied parameter space. We conclude that the most recent LIGO-Virgo upper limits on the rate of coalescence of intermediate-mass black hole binaries are conservative for the case of highly asymmetric binaries. However, the tightest upper limits, placed for nearly equal-mass sources, remain unchanged due to the small contribution of higher modes to the corresponding sources.

Structure of a low-population intermediate state in the release of an enzyme product.

PubMed

De Simone, Alfonso; Aprile, Francesco A; Dhulesia, Anne; Dobson, Christopher M; Vendruscolo, Michele

2015-01-09

Enzymes can increase the rate of biomolecular reactions by several orders of magnitude. Although the steps of substrate capture and product release are essential in the enzymatic process, complete atomic-level descriptions of these steps are difficult to obtain because of the transient nature of the intermediate conformations, which makes them largely inaccessible to standard structure determination methods. We describe here the determination of the structure of a low-population intermediate in the product release process by human lysozyme through a combination of NMR spectroscopy and molecular dynamics simulations. We validate this structure by rationally designing two mutations, the first engineered to destabilise the intermediate and the second to stabilise it, thus slowing down or speeding up, respectively, product release. These results illustrate how product release by an enzyme can be facilitated by the presence of a metastable intermediate with transient weak interactions between the enzyme and product.

Measuring the masses of intermediate polars with NuSTAR: V709 Cas, NY Lup, and V1223 Sgr

NASA Astrophysics Data System (ADS)

Shaw, A. W.; Heinke, C. O.; Mukai, K.; Sivakoff, G. R.; Tomsick, J. A.; Rana, V.

2018-05-01

The X-ray spectra of intermediate polars can be modelled to give a direct measurement of white dwarf mass. Here, we fit accretion column models to NuSTAR spectra of three intermediate polars; V709 Cas, NY Lup, and V1223 Sgr in order to determine their masses. From fits to 3-78 keV spectra, we find masses of M_WD=0.88^{+0.05}_{-0.04} M_{⊙}, 1.16^{+0.04}_{-0.02} M_{⊙}, and 0.75 ± 0.02 M⊙ for V709 Cas, NY Lup, and V1223 Sgr, respectively. Our measurements are generally in agreement with those determined by previous surveys of intermediate polars, but with typically a factor ˜2 smaller uncertainties. This work paves the way for an approved NuSTAR Legacy Survey of white dwarf masses in intermediate polars.

Propagule Limitation, Disparate Habitat Quality, and Variation in Phenotypic Selection at a Local Species Range Boundary

PubMed Central

Moore, Kara A.; Stanton, Maureen L.

2014-01-01

Adaptation to novel conditions beyond current range boundaries requires the presence of suitable sites within dispersal range, but may be impeded when emigrants encounter poor habitat and sharply different selection pressures. We investigated fine-scale spatial heterogeneity in ecological dynamics and selection at a local population boundary of the annual plant Gilia tricolor. In two years, we planted G. tricolor seeds in core habitat, margin habitat at the edge of the local range, and exterior habitat in order to measure spatial and temporal variation in habitat quality, opportunity for selection, and selection on phenotypic traits. We found a striking decline in average habitat quality with distance from the population core, yet some migrant seeds were successful in suitable, unoccupied microsites at and beyond the range boundary. Total and direct selection on four out of five measured phenotypic traits varied across habitat zones, as well as between years. Moreover, the margin habitat often exerted unique selection pressures that were not intermediate between core and exterior habitats. This study reveals that a combination of ecological and evolutionary forces, including propagule limitation, variation in habitat quality and spatial heterogeneity in phenotypic selection may reduce opportunities for adaptive range expansion, even across a very local population boundary. PMID:24717472

Order-memory and association-memory.

PubMed

Caplan, Jeremy B

2015-09-01

Two highly studied memory functions are memory for associations (items presented in pairs, such as SALT-PEPPER) and memory for order (a list of items whose order matters, such as a telephone number). Order- and association-memory are at the root of many forms of behaviour, from wayfinding, to language, to remembering people's names. Most researchers have investigated memory for order separately from memory for associations. Exceptions to this, associative-chaining models build an ordered list from associations between pairs of items, quite literally understanding association- and order-memory together. Alternatively, positional-coding models have been used to explain order-memory as a completely distinct function from association-memory. Both classes of model have found empirical support and both have faced serious challenges. I argue that models that combine both associative chaining and positional coding are needed. One such hybrid model, which relies on brain-activity rhythms, is promising, but remains to be tested rigourously. I consider two relatively understudied memory behaviours that demand a combination of order- and association-information: memory for the order of items within associations (is it William James or James William?) and judgments of relative order (who left the party earlier, Hermann or William?). Findings from these underexplored procedures are already difficult to reconcile with existing association-memory and order-memory models. Further work with such intermediate experimental paradigms has the potential to provide powerful findings to constrain and guide models into the future, with the aim of explaining a large range of memory functions, encompassing both association- and order-memory. (c) 2015 APA, all rights reserved).

Solar tracking system

NASA Technical Reports Server (NTRS)

White, P. R.; Scott, D. R. (Inventor)

1981-01-01

A solar tracker for a solar collector is described in detail. The collector is angularly oriented by a motor wherein the outputs of two side-by-side photodetectors are discriminated as to three ranges: a first corresponding to a low light or darkness condition; a second corresponding to light intensity lying in an intermediate range; and a third corresponding to light above an intermediate range, direct sunlight. The first output drives the motor to a selected maximum easterly angular position; the second enables the motor to be driven westerly at the Earth rotational rate; and the third output, the separate outputs of the two photodetectors, differentially controls the direction of rotation of the motor to effect actual tracking of the Sun.

Cross sections for electron scattering by carbon disulfide in the low- and intermediate-energy range

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

Brescansin, L. M.; Iga, I.; Lee, M.-T.

2010-01-15

In this work, we report a theoretical study on e{sup -}-CS{sub 2} collisions in the low- and intermediate-energy ranges. Elastic differential, integral, and momentum-transfer cross sections, as well as grand total (elastic + inelastic) and absorption cross sections, are reported in the 1-1000 eV range. A recently proposed complex optical potential composed of static, exchange, and correlation-polarization plus absorption contributions is used to describe the electron-molecule interaction. The Schwinger variational iterative method combined with the distorted-wave approximation is applied to calculate the scattering amplitudes. The comparison between our calculated results and the existing experimental and/or theoretical results is encouraging.

Intermediate boundary conditions for LOD, ADI and approximate factorization methods

NASA Technical Reports Server (NTRS)

Leveque, R. J.

1985-01-01

A general approach to determining the correct intermediate boundary conditions for dimensional splitting methods is presented. The intermediate solution U is viewed as a second order accurate approximation to a modified equation. Deriving the modified equation and using the relationship between this equation and the original equation allows us to determine the correct boundary conditions for U*. This technique is illustrated by applying it to locally one dimensional (LOD) and alternating direction implicit (ADI) methods for the heat equation in two and three space dimensions. The approximate factorization method is considered in slightly more generality.

40 CFR 142.65 - Variances and exemptions from the maximum contaminant levels for radionuclides.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Raw water quality range &considerations 1 1. Ion exchange (IE) (a) Intermediate All ground waters. 2...-filtration. 5. Lime softening (d) Advanced All waters. 6. Green sand filtration (e) Basic. 7. Co-precipitation with barium sulfate (f) Intermediate to Advanced Ground waters with suitable water quality. 8...

Tunable in-line fiber optic comb filter using a side-polished single-mode fiber coupler with LiNbO 3 overlay and intermediate coupling layer

NASA Astrophysics Data System (ADS)

Sohn, Kyung-Rak; Song, Jae-Won

2002-03-01

Using a side-polished single-mode fiber covered with a polished LiNbO 3 overlay and an intermediate coupling layer, tunable fiber-optic comb filters are demonstrated. The device behaviors based on the modal properties of the fiber and the planar LiNbO 3 waveguide are analyzed by two dimensional beam propagation methods (2-D BPM) and discussed the role of an intermediate coupling layer in terms of coupling efficiency. We also show that the thermo-optic effects of this layer can be utilized to tune the comb filter. When the polished x-cut LiNbO 3 with 200 μm thickness is used as a multimode overlay waveguide, the comb output spectra with free spectral range of 4 nm are measured in 1550 nm wavelength range. The tuning rate as a function of the refractive index of an intermediate coupling layer, Δλ/ Δnb, is about -0.129 nm/-0.001. The experimental results are in good agreement with the calculated results.

Do-not-resuscitate orders in an extended-care study group.

PubMed

Meyers, R M; Lurie, N; Breitenbucher, R B; Waring, C J

1990-09-01

We examined the charts of 911 nursing home patients in Hennepin County, Minnesota, to determine the prevalence of written do-not-resuscitate (DNR) orders. Information regarding demographic characteristics, and whether a surrogate decisionmaker was available and participated in the decision, was also collected. Twenty-seven percent of patients had DNR orders. Ninety percent of all patients had potentially available surrogate decisionmakers. However, for 31% of patients with DNR orders, there was no documentation of patient or surrogate participation in the DNR decision. Univariate analysis identified female sex; increased age, level of care (skilled versus intermediate), presence of a potential surrogate decisionmaker, and increasing length of time since nursing home admission as factors associated with presence of DNR orders. When a logistic regression model was used, increased age, increased length of time since nursing home admission, skilled versus intermediate level of care, and presence of a surrogate decisionmaker were independently associated with presence of DNR status. Several variables are independently associated with written DNR orders; their relationship to the factors physicians use in decision making requires further study.

Micro-structure and motion of two-dimensional dense short spherocylinder liquids

NASA Astrophysics Data System (ADS)

Wang, Wen; Lin, Jyun-Ting; Su, Yen-Shuo; I, Lin

2018-03-01

We numerically investigate the micro-structure and motion of 2D liquids composed of dense short spherocylinders, by reducing the shape aspect ratio from 3. It is found that reducing shape aspect ratio from 3 causes a smooth transition from heterogeneous structures composed of crystalline ordered domains with good tetratic alignment order to those with good hexagonal bond-orientational order at an aspect ratio equaling 1.35. In the intermediate regime, both structural orders are strongly deteriorated, and the translational hopping rate reaches a maximum due to the poor particle interlocking of the disordered structure. Shortening rod length allows easier rotation, induces monotonic increase of rotational hopping rates, and resumes the separation of rotational and translational hopping time scales at the small aspect ratio end, after the crossover of their rates in the intermediate regime. At the large shape aspect ratio end, the poor local tetratic order has the same positive effects on facilitating local rotational and translational hopping. In contrast, at the small shape aspect ratio end, the poor local bond orientational order has the opposite effects on facilitating local rotational and translational hopping.

Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II.

PubMed

Isobe, Hiroshi; Shoji, Mitsuo; Shen, Jian-Ren; Yamaguchi, Kizashi

2016-01-19

We have performed hybrid density functional theory (DFT) calculations to investigate how chemical equilibria can be described in the S3 state of the oxygen-evolving complex in photosystem II. For a chosen 340-atom model, 1 stable and 11 metastable intermediates have been identified within the range of 13 kcal mol(-1) that differ in protonation, charge, spin, and conformational states. The results imply that reversible interconversion of these intermediates gives rise to dynamic equilibria that involve processes with relocations of protons and electrons residing in the Mn4CaO5 cluster, as well as bound water ligands, with concomitant large changes in the cluster geometry. Such proton tautomerism and redox isomerism are responsible for reversible activation/deactivation processes of substrate oxygen species, through which Mn-O and O-O bonds are transiently ruptured and formed. These results may allow for a tentative interpretation of kinetic data on substrate water exchange on the order of seconds at room temperature, as measured by time-resolved mass spectrometry. The reliability of the hybrid DFT method for the multielectron redox reaction in such an intricate system is also addressed.

Carbon and Nitrogen Enrichment Patterns in Planetary Nebulae

NASA Astrophysics Data System (ADS)

Dufour, Reginald

2011-10-01

The goal of this project is to assess the role played in carbon production by low and intermediate mass stars {LIMS}, i.e. the progenitors of planetary nebulae {PNe}. One of the most pressing problems in galactic chemical evolution today is understanding the relative roles of LIMS {1-8 M_sun} versus massive stars {8-120 M_sun} in affecting the cosmic level of the element C. We are launching a fresh, ambitious project whose purpose is to employ STIS to obtain UV spectra of unprecedented-quality of 10 carefully chosen, bright solar metallicity PNe spanning a broad range in progenitor mass. Line strength measurements of important emission lines of C, N, and O such as OIII] 1660-6, NIII] 1747-54, CIII] 1907-9, and {when He++ is strong} CIV] 1550 and OIV] 1400 in each object will be used along with our own in-house abundance software to determine ion and element abundances for these three species. In turn, these results will be used to assess stellar yields {productivity rates} available in the literature. Favored yield sets will be used to calculate our own chemical evolution models in order to assess directly the importance of intermediate-mass stars in the cosmic evolution of C.

Mobility of heavy metals through granitic soils using mini column infiltration test

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

Zarime, Nur 'Aishah; Yaacob, W. Z.W.

This study is about the mobility of cadmium through compacted granitic soils. Two granitic soils namely the Broga (BGR) and Kajang (KGR) granitic soils were collected in Selangor, Malaysia. Physical and chemical tests were applied for both granitic soils to determine the physical and chemical properties of soil materials. Physical test results shows granitic soils (BGR and KGR) have high percentage of sand ranging between 54%–63% and 46%–54% respectively, an intermediate and intermediate to high plasticity index as well as high specific gravity ie; 2.50–2.59 and 2.45–2.66 respectively. For chemical test, granitic soils shows acidic pH values ranged from 5.35–5.85more » for BGR and pH 5.32–5.54 for KGR. For organic matter, SSA and CEC test, it shows low values ranged from 0.22%–0.34% and 0.39%– 0.50% respectively for organic matter test, 17.96 m{sup 2}/g–21.93 m{sup 2}/g and 25.76 m{sup 2}/g–26.83 m{sup 2}/g respectively for SSA test and 0.79 meq/100g–1.35 meq/100g and 1.31 meq/100g–1.35 meq/100g respectively for CEC test. Mini column infiltration test was conducted to determine the retention of cadmium while flowing through granite soils. This test conducted based on the falling head permeability concepts. Different G-force ranging from 231G to 1442G was used in this test. The breakthrough curves show the concentration of Cd becomes higher with the increasing of G-force for both granitic samples (BGR and KGR). The selectivity sorption for both granites ranked in the following decreasing order of; 231G>519G>923G>1442G. Results demonstrated that granitic soils also have low buffering capacity due to low resist of pH changes.« less

Mobility of heavy metals through granitic soils using mini column infiltration test

NASA Astrophysics Data System (ADS)

Zarime, Nur'Aishah; Yaacob, W. Z. W.

2014-09-01

This study is about the mobility of cadmium through compacted granitic soils. Two granitic soils namely the Broga (BGR) and Kajang (KGR) granitic soils were collected in Selangor, Malaysia. Physical and chemical tests were applied for both granitic soils to determine the physical and chemical properties of soil materials. Physical test results shows granitic soils (BGR and KGR) have high percentage of sand ranging between 54%-63% and 46%-54% respectively, an intermediate and intermediate to high plasticity index as well as high specific gravity ie; 2.50-2.59 and 2.45-2.66 respectively. For chemical test, granitic soils shows acidic pH values ranged from 5.35-5.85 for BGR and pH 5.32-5.54 for KGR. For organic matter, SSA and CEC test, it shows low values ranged from 0.22%-0.34% and 0.39%- 0.50% respectively for organic matter test, 17.96 m2/g-21.93 m2/g and 25.76 m2/g-26.83 m2/g respectively for SSA test and 0.79 meq/100g-1.35 meq/100g and 1.31 meq/100g-1.35 meq/100g respectively for CEC test. Mini column infiltration test was conducted to determine the retention of cadmium while flowing through granite soils. This test conducted based on the falling head permeability concepts. Different G-force ranging from 231G to 1442G was used in this test. The breakthrough curves show the concentration of Cd becomes higher with the increasing of G-force for both granitic samples (BGR and KGR). The selectivity sorption for both granites ranked in the following decreasing order of; 231G>519G>923G>1442G. Results demonstrated that granitic soils also have low buffering capacity due to low resist of pH changes.

Femoral curvature variability in modern humans using three-dimensional quadric surface fitting.

PubMed

Chapman, Tara; Sholukha, Victor; Semal, Patrick; Louryan, Stéphane; Rooze, Marcel; Van Sint Jan, Serge

2015-12-01

This study analysed femoral curvature in a population from Belgium in conjunction with other morphological characteristics by the use of three-dimensional (3D) quadric surfaces (QS) modelled from the bone surface. 3D models were created from computed tomography data of 75 femoral modern human bones. Anatomical landmarks (ALs) were palpated in specific bony areas of the femur (shaft, condyles, neck and head). QS were then created from the surface vertices which enclose these ALs. The diaphyseal shaft was divided into five QS shapes to analyse curvature in different parts of the shaft. Femoral bending differs in different parts of the diaphyseal shaft. The greatest degree of curvature was found in the distal shaft (mean 4.5° range 0.2°-10°) followed by the proximal (mean 4.4° range 1.5°-10.2°), proximal intermediate (mean 3.7° range 0.9°-7.9°) and distal intermediate (mean 1.8° range 0.2°-5.6°) shaft sections. The proximal and distal angles were significantly more bowed than the intermediate proximal and the intermediate distal angle. There was no significant difference between the proximal and distal angle. No significant correlations were found between morphological characteristics and femoral curvature. An extremely large variability of femoral curvature with several bones displaying very high or low degrees of femoral curvature was also found. 3D QS fitting enables the creation of accurate models which can discriminate between different patterns in similar curvatures and demonstrates there is a clear difference between curvature in different parts of the shaft.

Simultaneous chromatic dispersion, polarization-mode-dispersion and OSNR monitoring at 40Gbit/s.

PubMed

Baker-Meflah, Lamia; Thomsen, Benn; Mitchell, John; Bayvel, Polina

2008-09-29

A novel method for independent and simultaneous monitoring of chromatic dispersion (CD), first-order PMD and OSNR in 40Gbit/s systems is proposed and demonstrated. This is performed using in-band tone monitoring of 5GHz, optically down-converted to a low intermediate-frequency (IF) of 10kHz. The measurement provides a large monitoring range with good accuracies for CD (4742+/-100ps/nm), differential group delay (DGD) (200+/-4ps) and OSNR (23+/-1dB), independently of the bit-rate. In addition, the use of electro-absorption modulators (EAM) for the simultaneous down-conversion of all channels and the use of low-speed detectors makes it cost effective for multi-channel operation.

Creep Behavior of Near-Stoichiometric Polycrystalline Binary NiAl

NASA Technical Reports Server (NTRS)

Raj, S. V.

2002-01-01

New and published constant load creep and constant engineering strain rate data on near-stoichiometric binary NiAl in the intermediate temperature range 700 to 1300 K are reviewed. Both normal and inverse primary creep curves are observed depending on stress and temperature. Other characteristics relating to creep of NiAl involving grain size, stress and temperature dependence are critically examined and discussed. At stresses below 25 MPa and temperatures above 1000 K, a new grain boundary sliding mechanism was observed with n approx. 2, Qc approx. 100 kJ/ mol and a grain size exponent of about 2. It is demonstrated that Coble creep and accommodated grain boundary sliding models fail to predict the experimental creep rates by several orders of magnitude.

CaFe2O4 as a self-sufficient solar energy converter

NASA Astrophysics Data System (ADS)

Tablero, C.

2017-10-01

An ideal solar energy to electricity or fuel converter should work without the use of any external bias potential. An analysis of self-sufficiency when CaFe2O4 is used to absorb the sunlight is carried out based on the CaFe2O4 absorption coefficient. We started to obtain this coefficient theoretically within the experimental bandgap range in order to fix the interval of possible values of photocurrents, maximum absorption efficiencies, and photovoltages and thus that of self-sufficiency considering only the radiative processes. Also for single-gap CaFe2O4, we evaluate an alternative for increasing the photocurrent and maximum absorption efficiency based on inserting an intermediate band using high doping or alloying.

Measurements of Reaction Cross Sections for 9-11C

NASA Astrophysics Data System (ADS)

Nishizuka, Kenji; Takechi, Maya; Ohtsubo, Takashi; Nishimura, Daiki; Fukuda, Mitsunori; Aoki, Kazuya; Abe, Keijiro; Ikeda, Ayaka; Izumikawa, Takuji; Oikawa, Hiroyuki; Ohnishi, Kosuke; Ohno, Junichi; Ohmika, Shunichiro; Kato, Ikuma; Kanke, Yuki; Kanbe, Shunsuke; Kanda, Naoto; Kikuchi, Haruka; Kitagawa, Atsushi; Sato, Shinji; Sayama, Umito; Shimaya, Jiro; Sugihara, Takanobu; Suzuki, Shinji; Suzuki, Takeshi; Takahashi, Hiroki; Taguchi, Yoshisada; Takei, Yuki; Takeuchi, Yuki; Takenouchi, Arashi; Takemoto, Takanori; Tadano, Natsuki; Tanaka, Masaomi; Tanaka, Yutaro; Chikaato, Kazuya; Du, Hang; Nagai, Takumi; Nagumo, Junya; Fukuda, Shigekazu; Hori, Kensyu; Honma, Akira; Machida, Masahiro; Matsunaga, Satoshi; Mizukami, Atsushi; Mihara, Mototsugu; Miyata, Eri; Murooka, Daiki; Yagi, Shoichi; Yamaoka, Shintaro; Yamaguchi, Takayuki; Yokoyama, Kouhei

In order to probe the differences of matter and charge radii of atomic nucleus in the proton-rich C isotopes, measurements of reaction cross sections (σR) for 9-11C on proton targets in the energy range from 50 to 120A MeV were performed at HIMAC facility, NIRS. Owing to the large differences between proton-proton and proton-neutron scattering cross sections at this intermediate energy region, σR data for atomic nuclei on proton targets are expected to have the sensitivity to the differences between proton and neutron distributions in the nucleus. Present preliminary data are compared with the Glauber calculation, which suggest the larger enhancements of proton distributions in 9C and 10C compared to 11C.

Partially Disordered Phase in Frustrated Triangular Lattice Antiferromagnet CuFeO 2

NASA Astrophysics Data System (ADS)

Mitsuda, Setsuo; Kasahara, Noriaki; Uno, Takahiro; Mase, Motoshi

1998-12-01

We reinvestigated successive magnetic phase transitions (T N1˜14.0 K, T N2˜10.5 K) in a frustrated triangular lattice antiferromagnet (TLA) CuFeO2 by neutron diffraction measurements using single crystals. The magnetic structure of the intermediate-temperature phase between T N1 and T N2 is found to be a quasi-long range ordered sinusoidally amplitude-modulated structure with a temperature dependent propagation wave vector (q q 0). These features of successive phase transitions are well explained by reinvestigated Monte-Carlo simulation of a 2D Ising TLA with competing exchange interactions up to 3rd neighbors, in spite of the Heisenberg spin character of orbital singlet Fe3+ magnetic ions.

Asynchronous broadcast for ordered delivery between compute nodes in a parallel computing system where packet header space is limited

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

Kumar, Sameer

Disclosed is a mechanism on receiving processors in a parallel computing system for providing order to data packets received from a broadcast call and to distinguish data packets received at nodes from several incoming asynchronous broadcast messages where header space is limited. In the present invention, processors at lower leafs of a tree do not need to obtain a broadcast message by directly accessing the data in a root processor's buffer. Instead, each subsequent intermediate node's rank id information is squeezed into the software header of packet headers. In turn, the entire broadcast message is not transferred from the rootmore » processor to each processor in a communicator but instead is replicated on several intermediate nodes which then replicated the message to nodes in lower leafs. Hence, the intermediate compute nodes become "virtual root compute nodes" for the purpose of replicating the broadcast message to lower levels of a tree.« less

Spreading of Levantine Intermediate Waters by submesoscale coherent vortices in the northwestern Mediterranean Sea as observed with gliders

NASA Astrophysics Data System (ADS)

Bosse, Anthony; Testor, Pierre; Mortier, Laurent; Prieur, Louis; Taillandier, Vincent; d'Ortenzio, Fabrizio; Coppola, Laurent

2015-03-01

Since 2007, gliders have been regularly deployed in the northwestern Mediterranean Sea, a crucial region regarding the thermohaline circulation of the Mediterranean Sea. It revealed for the first time very warm (+0.4∘C) and saline (+0.1) submesoscale anticyclones at intermediate depth characterized by a small radius (˜5 km), high Rossby (˜0.3), and Burger (˜0.7) numbers. They are likely order of 10 to be formed each year, have a life time order a year and certainly contribute significantly to the spreading of the Levantine Intermediate Waters (LIW) toward the whole subbasin, thus potentially impacting wintertime vertical mixing through hydrographical and dynamical preconditioning. They could be mainly formed by the combined action of turbulent mixing and flow detachment of the northward flow of LIW at the northwestern headland of Sardinia. Upwelling conditions along the western coast of Sardinia associated with a southward geostrophic flow within the upper layers seem to play a key role in their formation process.

Important role of projectile excitation in 16O+60Ni and 16O+27Al scattering at intermediate energies

NASA Astrophysics Data System (ADS)

Zagatto, V. A. B.; Cappuzzello, F.; Lubian, J.; Cavallaro, M.; Linares, R.; Carbone, D.; Agodi, C.; Foti, A.; Tudisco, S.; Wang, J. S.; Oliveira, J. R. B.; Hussein, M. S.

2018-05-01

The elastic scattering angular distribution of the 16O+60Ni system at 260 MeV was measured in the range of the Rutherford cross section down to seven orders of magnitude. The cross sections of the lowest 2+ and 3- inelastic states of the target were also measured over several orders of magnitude. Coupled-channel (CC) calculations were performed and are shown to be compatible with the whole set of data only when including the excitation of the projectile and when the deformations of the imaginary part of the nuclear optical potential are taken into account. Similar results were obtained when the procedure is applied to the existing data on 16O+27Al elastic and inelastic scattering at 100 and 280 MeV. An analysis in terms of dynamical polarization potentials (DPP) indicates the major role of coupled-channel effects in the overlapping surface region of the colliding nuclei.

Tunable Quantum Spin Liquidity in the 1 /6 th-Filled Breathing Kagome Lattice

NASA Astrophysics Data System (ADS)

Akbari-Sharbaf, A.; Sinclair, R.; Verrier, A.; Ziat, D.; Zhou, H. D.; Sun, X. F.; Quilliam, J. A.

2018-06-01

We present measurements on a series of materials, Li2 In1 -xScx Mo3 O8 , that can be described as a 1 /6 th-filled breathing kagome lattice. Substituting Sc for In generates chemical pressure which alters the breathing parameter nonmonotonically. Muon spin rotation experiments show that this chemical pressure tunes the system from antiferromagnetic long range order to a quantum spin liquid phase. A strong correlation with the breathing parameter implies that it is the dominant parameter controlling the level of magnetic frustration, with increased kagome symmetry generating the quantum spin liquid phase. Magnetic susceptibility measurements suggest that this is related to distinct types of charge order induced by changes in lattice symmetry, in line with the theory of Chen et al. [Phys. Rev. B 93, 245134 (2016), 10.1103/PhysRevB.93.245134]. The specific heat for samples at intermediate Sc concentration, which have the minimum breathing parameter, show consistency with the predicted U (1 ) quantum spin liquid.

Localization and Symmetry Breaking in the Quantum Quasiperiodic Ising Glass

NASA Astrophysics Data System (ADS)

Chandran, A.; Laumann, C. R.

2017-07-01

Quasiperiodic modulation can prevent isolated quantum systems from equilibrating by localizing their degrees of freedom. In this article, we show that such systems can exhibit dynamically stable long-range orders forbidden in equilibrium. Specifically, we show that the interplay of symmetry breaking and localization in the quasiperiodic quantum Ising chain produces a quasiperiodic Ising glass stable at all energy densities. The glass order parameter vanishes with an essential singularity at the melting transition with no signatures in the equilibrium properties. The zero-temperature phase diagram is also surprisingly rich, consisting of paramagnetic, ferromagnetic, and quasiperiodically alternating ground-state phases with extended, localized, and critically delocalized low-energy excitations. The system exhibits an unusual quantum Ising transition whose properties are intermediate between those of the clean and infinite randomness Ising transitions. Many of these results follow from a geometric generalization of the Aubry-André duality that we develop. The quasiperiodic Ising glass may be realized in near-term quantum optical experiments.

Layered double hydroxide stability. 2. Formation of Cr(III)-containing layered double hydroxides directly from solution

NASA Technical Reports Server (NTRS)

Boclair, J. W.; Braterman, P. S.; Jiang, J.; Lou, S.; Yarberry, F.

1999-01-01

Solutions containing divalent metal [M(II) = Mg2+, Zn2+, Co2+, Ni2+, Mn2+] chlorides and CrCl3 6H2O were titrated with NaOH to yield, for M(II) = Zn, Co, and Ni, hydrotalcite-like layered double hydroxides (LDHs), [[M(II)]1-z[Cr(III)]z(OH)2][Cl]z yH2O, in a single step, without intermediate formation of chromium hydroxide. Analysis of the resultant titration curves yields solubility constants for these compounds. These are in the order Zn < Ni approximately Co, with a clear preference for formation of the phase with z = 1/3. With Mg2+ as chloride, titration gives a mixture of Cr(OH)3 and Mg(OH)2, but the metal sulfates give Mg2Cr(OH)6 1/2(SO4) by a two-step process. Titrimetric and spectroscopic evidence suggests short-range cation order in the one-step LDH systems.

Pedagogical Values of Mobile-Assisted Task-Based Activities to Enhance Speaking Skill

ERIC Educational Resources Information Center

Mohammadi, Mojtaba; Safdari, Nastaran

2015-01-01

The purpose of the present study was to examine the impact of online mobile-assisted task-based activities on improving Iranian intermediate English as a Foreign Language (EFL) learners' speaking skills. To achieve the purpose of the study, 90 intermediate language learners were selected ranging between 13 to 16 years old and divided into three…

Aldehydes and ketones form intermediate π complexes with the Gilman reagent, Me2CuLi, at low temperatures in tetrahydrofuran.

PubMed

Bertz, Steven H; Hardin, Richard A; Ogle, Craig A

2013-07-03

Typical aldehydes and ketones form π complexes with Me2CuLi at low temperatures in tetrahydrofuran. They range in stability from fleeting intermediates at -100 °C to entities that persist up to -20 °C. Three subsequent reaction pathways have been identified.

Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal

DOE PAGES

Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; ...

2016-01-05

Crystal-to-crystal transformations have been crucial in the understanding of solid-state processes, since these may be studied in detail by means of single crystal X-ray diffraction (SCXRD) techniques. The description of the mechanisms and potential intermediates of those processes remains very challenging. In fact, solid-state transient states have rarely been observed, at least to a sufficient level of detail. We have investigated the process of guest extrusion from the non-porous molecular material [Fe(bpp)(H 2L)](ClO 4) 2·1.5C 3H 6O (bpp = 2,6-bis(pyrazol-3-yl)pyridine; H 2L = 2,6-bis(5-(2-methoxyphenyl)-pyrazol-3-yl)pyridine; C 3H 6O = acetone), which occurs through ordered diffusion of acetone in a crystal-to-crystal manner,more » leading to dramatic structural changes. The slow kinetics of the transition allows thermal trapping of the system at various intermediate stages. The transiting single crystal can be then examined at these points through synchrotron SCXRD, offering a window upon the mechanism of the transformation at the molecular scale. These experiments have unveiled the development of an ordered intermediate phase, distinct from the initial and the final states, coexisting as the process advances with either of these two phases or, at a certain moment with both of them. The new intermediate phase has been structurally characterized in full detail by SCXRD, providing insights into the mechanism of this diffusion triggered solid-state phenomenon. Lastly, the process has been also followed by calorimetry, optical microscopy, local Raman spectroscopy and powder X-ray diffraction. The discovery and description of an intermediate ordered state in a molecular solid-state transformation is of great interest and will help to understand the mechanistic details and reaction pathways underlying these transformations.« less

Sequential design of discrete linear quadratic regulators via optimal root-locus techniques

NASA Technical Reports Server (NTRS)

Shieh, Leang S.; Yates, Robert E.; Ganesan, Sekar

1989-01-01

A sequential method employing classical root-locus techniques has been developed in order to determine the quadratic weighting matrices and discrete linear quadratic regulators of multivariable control systems. At each recursive step, an intermediate unity rank state-weighting matrix that contains some invariant eigenvectors of that open-loop matrix is assigned, and an intermediate characteristic equation of the closed-loop system containing the invariant eigenvalues is created.

Engineered disorder and light propagation in a planar photonic glass

PubMed Central

Romanov, Sergei G.; Orlov, Sergej; Ploss, Daniel; Weiss, Clemens K.; Vogel, Nicolas; Peschel, Ulf

2016-01-01

The interaction of light with matter strongly depends on the structure of the latter at wavelength scale. Ordered systems interact with light via collective modes, giving rise to diffraction. In contrast, completely disordered systems are dominated by Mie resonances of individual particles and random scattering. However, less clear is the transition regime in between these two extremes, where diffraction, Mie resonances and near-field interaction between individual scatterers interplay. Here, we probe this transitional regime by creating colloidal crystals with controlled disorder from two-dimensional self-assembly of bidisperse spheres. Choosing the particle size in a way that the small particles are transparent in the spectral region of interest enables us to probe in detail the effect of increasing positional disorder on the optical properties of the large spheres. With increasing disorder a transition from a collective optical response characterized by diffractive resonances to single particles scattering represented by Mie resonances occurs. In between these extremes, we identify an intermediate, hopping-like light transport regime mediated by resonant interactions between individual spheres. These results suggest that different levels of disorder, characterized not only by absence of long range order but also by differences in short-range correlation and interparticle distance, exist in colloidal glasses. PMID:27277521

The Coherent Interlayer Resistance of a Single, Misoriented Interface between Two Graphite Stacks

NASA Astrophysics Data System (ADS)

Lake, Roger K.; Habib, K. M. Masum; Sylvia, Somaia; Ge, Supeng; Neupane, Mahesh

2014-03-01

The coherent, interlayer resistance of a misoriented, rotated interface between two stacks of AB graphite is determined for a variety of misorientation angles ranging from 0° to 27 .29° . The quantum-resistance of the ideal AB stack is on the order of 1 to 10 m Ωμm2 depending on the Fermi energy. For small rotation angles <= 7 .34° , the coherent interlayer resistance exponentially approaches the ideal quantum resistance at energies away from the charge neutrality point. Over a range of intermediate angles, the resistance increases exponentially with primitive cell size for minimum size cells. A change of misorientation angle by one degree can increase the primitive cell size by three orders of magnitude. These large cell sizes may not follow the exponential trend of the minimal cells especially at energies a few hundred meV away from the charge neutrality point. At such energies, their coherent interlayer resistance is likely to coincide with that of a nearby rotation angle with a much smaller primitive cell. The energy dependence of the interlayer transmission is described and analyzed. This work was supported in part by FAME, one of six centers of STARnet, a Semiconductor Research Corporation program sponsored by MARCO and DARPA.

P-T phase diagram and structural transformations of molten P2O5 under pressure

NASA Astrophysics Data System (ADS)

Brazhkin, V. V.; Katayama, Y.; Lyapin, A. G.; Saitoh, H.

2014-03-01

The P2O5 compound is an archetypical glass-forming oxide with a record high hygroscopicity, which makes its study extremely difficult. We present the in situ x-ray diffraction study of the pressure-temperature phase diagram of P2O5 and, particularly, of the liquid P2O5 structure under high pressure up to 10 GPa. Additionally, quenching from the melt has been used to extend the melting curve up to 15 GPa. We found that structural transformation in the liquid P2O5 under pressure is unique and includes three stages: first, the disappearance of the intermediate range order of the melt together with a slow increase in the average first-coordination number (P-O and O-P neighbors) up to 4 GPa; second, the "normal" compression almost without structural modification at higher pressures up to 8-9 GPa; and, finally, the abrupt change of the short-range order structure of the liquid with the jumplike increase at 9-10 GPa. The last stage correlates with the melting curve maximum (≈1250 °C) at ≈10 GPa and can be interpreted as a transformation to the liquid phase with entirely fivefold-coordinated phosphorus and twofold-coordinated oxygen atoms.

Tailoring the Edge Structure of Molybdenum Disulfide toward Electrocatalytic Reduction of Carbon Dioxide

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

Abbasi, Pedram; Asadi, Mohammad; Liu, Cong

2017-01-24

Electrocatalytic conversion of carbon dioxide (CO2) into energy-rich fuels is considered to be the most efficient approach to achieve a carbon neutral cycle. Transition-metal dichalcogenides (TMDCs) have recently shown a very promising catalytic performance for CO2 reduction reaction in an ionic liquid electrolyte. Here, we report that the catalytic performance of molybdenum disulfide (MoS2), a member of TMDCs, can be significantly improved by using an appropriate dopant. Our electrochemical results indicate that 5% niobium (Nb)-doped vertically aligned MoS2 in ionic liquid exhibits 1 order of magnitude higher CO formation turnover frequency (TOF) than pristine MoS2 at an overpotential range ofmore » 50-150 mV. The TOF of this catalyst is also 2 orders of magnitude higher than that of Ag nanoparticles over the entire range of studied overpotentials (100-650 mV). Moreover, the in situ differential electrochemical mass spectrometry experiment shows the onset overpotential of 31 mV for this catalyst, which is the lowest onset potential for CO2 reduction reaction reported so far. Our density functional theory calculations reveal that low concentrations of Nb near the Mo edge atoms can enhance the TOF of CO formation by modifying the binding energies of intermediates to MoS2 edge atoms.« less

All-optical and broadband microwave fundamental/sub-harmonic I/Q down-converters.

PubMed

Gao, Yongsheng; Wen, Aijun; Jiang, Wei; Fan, Yangyu; He, You

2018-03-19

Microwave I/Q down-converters are frequently used in image-reject super heterodyne receivers, zero intermediate frequency (zero-IF) receivers, and phase/frequency discriminators. However, due to the electronic bottleneck, conventional microwave I/Q mixers face a serious bandwidth limitation, I/Q imbalance, and even-order distortion. In this paper, photonic microwave fundamental and sub-harmonic I/Q down-converters are presented using a polarization division multiplexing dual-parallel Mach-Zehnder modulator (PDM-DPMZM). Thanks to all-optical manipulation, the proposed system features an ultra-wide operating band (7-40 GHz in the fundamental I/Q down-converter, and 10-40 GHz in the sub-harmonic I/Q down-converter) and an excellent I/Q balance (maximum 0.7 dB power imbalance and 1 degree phase imbalance). The conversion gain, noise figure (NF), even-order distortion, and spurious free dynamic range (SFDR) are also improved by LO power optimization and balanced detection. Using the proposed system, a high image rejection ratio is demonstrated for a super heterodyne receiver, and good EVMs over a wide RF power range is demonstrated for a zero-IF receiver. The proposed broadband photonic microwave fundamental and sub-harmonic I/Q down-converters may find potential applications in multi-band satellite, ultra-wideband radar and frequency-agile electronic warfare systems.

Transformation of BCC and B2 High Temperature Phases to HCP and Orthorhombic Structures in the Ti-Al-Nb System. Part II: Experimental TEM Study of Microstructures

PubMed Central

Bendersky, L. A.; Boettinger, W. J.

1993-01-01

Possible transformation paths that involve no long range diffusion and their corresponding microstructural details were predicted by Bendersky, Roytburd, and Boettinger [J. Res. Natl. Inst. Stand. Technol. 98, 561 (1993)] for Ti-Al-Nb alloys cooled from the high temperature BCC/B2 phase field into close-packed orthorhombic or hexagonal phase fields. These predictions were based on structural and symmetry relations between the known phases. In the present paper experimental TEM results show that two of the predicted transformation paths are indeed followed for different alloy compositions. For Ti-25Al-12.5Nb (at%), the path includes the formation of intermediate hexagonal phases, A3 and DO19, and subsequent formation of a metastable domain structure of the low-temperature O phase. For alloys close to Ti-25Al-25Nb (at%), the path involves an intermediate B19 structure and subsequent formation of a translational domain structure of the O phase. The path selection depends on whether B2 order forms in the high temperature cubic phase prior to transformation to the close-packed structure. The paper also analyzes the formation of a two-phase modulated microstructure during long term annealing at 700 °C. The structure forms by congruent ordering of the DO19 phase to the O phase, and then reprecipitation of the DO19 phase, possibly by a spinodal mechanism. The thermodynamics underlying the path selection and the two-phase formation are also discussed. PMID:28053488

Tensor contraction engine: Abstraction and automated parallel implementation of configuration-interaction, coupled-cluster, and many-body perturbation theories

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

Hirata, So

2003-11-20

We develop a symbolic manipulation program and program generator (Tensor Contraction Engine or TCE) that automatically derives the working equations of a well-defined model of second-quantized many-electron theories and synthesizes efficient parallel computer programs on the basis of these equations. Provided an ansatz of a many-electron theory model, TCE performs valid contractions of creation and annihilation operators according to Wick's theorem, consolidates identical terms, and reduces the expressions into the form of multiple tensor contractions acted by permutation operators. Subsequently, it determines the binary contraction order for each multiple tensor contraction with the minimal operation and memory cost, factorizes commonmore » binary contractions (defines intermediate tensors), and identifies reusable intermediates. The resulting ordered list of binary tensor contractions, additions, and index permutations is translated into an optimized program that is combined with the NWChem and UTChem computational chemistry software packages. The programs synthesized by TCE take advantage of spin symmetry, Abelian point-group symmetry, and index permutation symmetry at every stage of calculations to minimize the number of arithmetic operations and storage requirement, adjust the peak local memory usage by index range tiling, and support parallel I/O interfaces and dynamic load balancing for parallel executions. We demonstrate the utility of TCE through automatic derivation and implementation of parallel programs for various models of configuration-interaction theory (CISD, CISDT, CISDTQ), many-body perturbation theory [MBPT(2), MBPT(3), MBPT(4)], and coupled-cluster theory (LCCD, CCD, LCCSD, CCSD, QCISD, CCSDT, and CCSDTQ).« less

Effect of EMIC Wave Normal Angle Distribution on Relativistic Electron Scattering in Outer RB

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gamayunov, K. V.

2007-01-01

We present the equatorial and bounce average pitch angle diffusion coefficients for scattering of relativistic electrons by the H+ mode of EMIC waves. Both the model (prescribed) and self consistent distributions over the wave normal angle are considered. The main results of our calculation can be summarized as follows: First, in comparison with field aligned waves, the intermediate and highly oblique waves reduce the pitch angle range subject to diffusion, and strongly suppress the scattering rate for low energy electrons (E less than 2 MeV). Second, for electron energies greater than 5 MeV, the |n| = 1 resonances operate only in a narrow region at large pitch-angles, and despite their greatest contribution in case of field aligned waves, cannot cause electron diffusion into the loss cone. For those energies, oblique waves at |n| greater than 1 resonances are more effective, extending the range of pitch angle diffusion down to the loss cone boundary, and increasing diffusion at small pitch angles by orders of magnitude.

An intermediate-mass black hole in the darf galaxy Pox 52

NASA Astrophysics Data System (ADS)

Barth, Aaron

2005-01-01

Do dwarf elliptical and dwarf spiral galaxies contain central black holes with masses below 106 solar masses? Beyond the Local Group dynamical searches for black holes in this mass range are very difficult but the detection of accretion-powered nuclear activity could be used to infer the presence of a black hole. The nearby dwarf spiral galaxy NGC 4395 hosts a faint Seyfert 1 nucleus with a likely black hole mass in the range 104-105 solar masses and for more than a decade it has been the only known example of a Seyfert 1 nucleus in a dwarf galaxy. I will present new Keck spectra of the dwarf galaxy POX 52 which demonstrate that it has a Seyfert 1 spectrum nearly identical to that of NGC 4395. Its velocity dispersion is 37 km/s suggesting a possible black hole mass of order 105 solar masses. I will discuss the prospects for systematic searches for nuclear activity in dwarf galaxies and the implications for black hole demographics.

An Intermediate-Mass Black Hole in the Dwarf Galaxy Pox 52

NASA Astrophysics Data System (ADS)

Barth, Aaron

Do dwarf elliptical and dwarf spiral galaxies contain central black holes with masses below 106 solar masses? Beyond the Local Group dynamical searches for black holes in this mass range are very difficult but the detection of accretion-powered nuclear activity could be used to infer the presence of a black hole. The nearby dwarf spiral galaxy NGC 4395 hosts a faint Seyfert 1 nucleus with a likely black hole mass in the range 104-105 solar masses and for more than a decade it has been the only known example of a Seyfert 1 nucleus in a dwarf galaxy. I will present new Keck spectra of the dwarf galaxy POX 52 which demonstrate that it has a Seyfert 1 spectrum nearly identical to that of NGC 4395. Its velocity dispersion is 37 km/s suggesting a possible black hole mass of order 105 solar masses. I will discuss the prospects for systematic searches for nuclear activity in dwarf galaxies and the implications for black hole demographics.

Unshocked Equilibrated H Chondrites: A Common Low-Temperature Record from Fe-Mg Ordering in Orthopyroxene

NASA Astrophysics Data System (ADS)

Folco, L.; Mellini, M.; Pillinger, C. T.

1995-09-01

The study of the thermal metamorphism of ordinary chondrites through geothermometers can provide significant constraints on the parent body thermal models which remain controversial. We report here results from Fe-Mg ordering closure temperatures (Tc) of orthopyroxenes from eight unshocked equilibrated H-chondrites obtained by means of single crystal X-ray diffraction. The method is based on the fact that cation partitioning in orthopyroxene is sensitive to temperature [1], and makes use of the experimental calibration by Molin et al. [2]. The goal of the investigation is to check how petrographic types relate to cation ordering thermal records. Results: The orthopyroxenes show a very similar degree of Fe-Mg ordering (see Table 1.). The Tc's cluster within the 384+/-48 to 480+/-28 degrees C interval, and show no correlation with petrographic type. The lack of a correlation does not mean that the distribution is random, rather, it appears to be controlled in individual samples by the degree of equilibration. In fact, the higher the petrographic type, the more coherent the results of the grains from individual chondrites. The spread of Tc's in the least equilibrated chondrites could be either a memory of heterogeneous pre-metamorphic records related to individual chondrule histories, or an artefact due to crystal defects. Therefore (1) the thermal records, inferred from the Fe-Mg ordering, are nearly the same for all the equilibrated H-chondrites; (2) the most equilibrated chondrites record distinct Tc values within the larger common Tc range; (3) the spread of Tc in H4's maybe indicative of disequilibrium and merits further study. The closure temperature conveys information on the cooling rate close to its value, regardless of the temperature regimes when the ordering process started. Extrapolation to high temperatures can be made only if the cooling path is constrained. Since we have no data to establish the temperature when ordering began and to decide whether the cooling was linear, we have not attempted quantitative estimates of cooling rates. However we can say that as equilibrated H-chondrites carry similar Tc records, they cooled at similar rates through 380-480 degrees C. However, the k(sub)D's (i.e., the intracrystalline Fe-Mg distribution coefficient) range 0.029 to 0.054, suggesting that H-chondrites cooled in petrogenetic environments intermediate between those of volcanic [3] and granulitic rocks [3,4]. Conclusion: Our results provide the following constraints: (1) Equilibrated H-chondrites, regardless the petrographic type, were located in petrogenetic environments characterized by similar temperature-time conditions when cooling through 380-480 degrees C, and, in terms of terrestrial environments, intermediate between those of volcanic and granulitic facies. (2) Different petrographic types reflect distinct metamorphic thermal regimes. Thus, to account for constraint (1), petrographic type was determined at temperatures above the 380-480 degrees C interval. This implies that equilibrated H-chondrites were placed in different geological environments characterized by distinct temperature-time regimes when still above this temperature range. In the case of the least equilibrated chondrites, for which the two events could coincide. Acknowledgments: We thank EUROMET for providing us with the Frontier Mt. samples, and PNRA for supporting this study. References: [1] Saxena S. K. and Dal Negro A. (1983) Bull. Min ral., 106, 443-449. [2] Molin G. M. et al. (1991) EPSL, 105, 260-265. [3] Bertolo S. and Nimis P. (1993) EJM, 5, 707-719. [4] Tribaudino M. and Talarico F. (1992) EJM, 4, 453-463.

The costs and service implications of substituting intermediate care for acute hospital care.

PubMed

Mayhew, Leslie; Lawrence, David

2006-05-01

Intermediate care is part of a package of initiatives introduced by the UK Government mainly to relieve pressure on acute hospital beds and reduce delayed discharge (bed blocking). Intermediate care involves caring for patients in a range of settings, such as in the home or community or in nursing and residential homes. This paper considers the scope of intermediate care and its role in relation to acute hospital services. In particular, it develops a framework that can be used to inform decisions about the most cost-effective care pathways for given clinical situations, and also for wider planning purposes. It does this by providing a model for evaluating the costs of intermediate care services provided by different agencies and techniques for calibrating the model locally. It finds that consistent application of the techniques over a period of time, coupled with sound planning and accounting, should result in savings to the health economy.

Characterization of a transient +2 sulfur oxidation state intermediate from the oxidation of aqueous sulfide

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

Vairavmurthy, M.A.; Zhou, Weiqing

1995-04-01

The oxidation H{sub 2}S to sulfate involves a net transfer of eight electrons and occurs through the formation of several partially oxidized intermediates with oxidation states ranging from {minus}1 to +5. Known intermediates include elemental sulfur (oxidation state 0), polysulfides (outer sulfur: {minus}1, inner sulfur: 0), sulfite (+4) and thiosulfate (outer sulfur: {minus}1, inner sulfur: +5). A noticeable gap in this series of intermediates is that of a +2 sulfur oxidation state oxoacid/oxoanion species, which was never detected experimentally. Here, we present evidence of the transient existence of +2 oxidation state intermediate in the Ni(II)-catalyzed oxidation of aqueous sulfide. X-raymore » absorption near-edge structure (XANES) spectroscopy and Fourier-transform-infrared (FT-IR) spectroscopy were used to characterize this species; they suggest that it has a sulfoxylate ion (SO{sub 2}{sup 2{minus}}) structure.« less

Electromagnetic-field effects on structure and dynamics of amyloidogenic peptides

NASA Astrophysics Data System (ADS)

Todorova, Nevena; Bentvelzen, Alan; English, Niall J.; Yarovsky, Irene

2016-02-01

Electromagnetic fields (EMFs) are ever-present, and so is the need to better understand their influence on human health and biological matter in general. The interaction between a molecular system and external EMF can alter the structure, and dynamical behaviour, and, hence, biological function of proteins with uncertain health consequences. This urges a detailed investigation of EMF-induced effects on basic protein biophysics. Here, we used all-atom non-equilibrium molecular dynamics simulations to understand and quantify the response mechanisms of the amyloidogenic apoC-II(60-70) peptides to non-ionising radiation by modelling their behaviour under external electromagnetic and electric fields of different strengths. Our simulations show high strength fields (>0.04 V/nm) cause structural changes in apoC-II(60-70) due to the peptide dipole alignment along the applied field direction, which disrupts the inherent β-hairpin conformation known to be the intermediate state for fibril formation. The intermediate field-strength range (0.04-0.004 V/nm) causes a significant acceleration in peptide dynamics, which leads to the increased population of structures with fibril-inhibiting characteristics, such as the separated N- and C-termini and colocation of the aromatic residues at the same peptide face. In contrast, lower field strengths (<0.004 V/nm) promote the formation of the amyloid-prone hairpin structures relative to the ambient conditions. These findings suggest that intermediate-strength electromagnetic fields could be considered for designing alternative treatments of amyloid diseases, while the very high and low field strengths could be employed for engineering well-ordered fibrillar aggregates for non-medicinal applications.

Expression of the C3-C 4 intermediate character in somatic hybrids between Brassica napus and the C3-C 4 species Moricandia arvensis.

PubMed

O'Neill, C M; Murata, T; Morgan, C L; Mathias, R J

1996-12-01

The wild crucifer Moricandia arvensis is a potential source of alien genes for the genetic improvement of related Brassica crops. In particular M. arvensis has a C3-C4 intermediate photosynthetic mechanism which results in enhanced recapture of photorespired CO2 and may increase plant water-use efficiency. In order to transfer this trait into Brassica napus, somatic hybridisations were made between leaf mesophyll protoplasts from cultured M. arvensis shoot tips and hypocotyl protoplasts from three Brassica napus cultivars, 'Ariana', 'Cobra' and 'Westar'. A total of 23 plants were recovered from fusion experiments and established in the greenhouse. A wide range of chromosome numbers were observed among the regenerated plants, including some apparent mixoploids. Thirteen of the regenerated plants were identified as nuclear hybrids between B. napus and M. arvensis on the basis of isozyme analysis. The phenotypes of these hybrids were typically rather B. napus-like, but much variability was observed, including variation in flower colour, leaf shape and colour, leaf waxiness, fertility and plant vigour. CO2 compensation point measurements on the regenerated plants demonstrated that 3 of the hybrids express the M. arvensis C3-C4 intermediate character at the physiological level. Semi-thin sections through leaf tissues of these 3 plants revealed the presence of a Kranz-like leaf anatomy characteristic of M. arvensis but not found in B. napus. This is the first report of the expression of this potentially important agronomic trait, transferred from Moricandia, in M. arvensis x B. napus hybrids.

Faulting of natural serpentinite: Implications for intermediate-depth seismicity

NASA Astrophysics Data System (ADS)

Gasc, Julien; Hilairet, Nadège; Yu, Tony; Ferrand, Thomas; Schubnel, Alexandre; Wang, Yanbin

2017-09-01

The seismic potential of serpentinites at high pressure was investigated via deformation experiments on cored natural serpentinite samples, during which micro-seismicity was monitored by recording Acoustic Emissions (AEs). Deformation was performed at pressures of 3-5 GPa, using a Deformation-DIA device, and over a wide range of temperatures, both within and outside antigorite's stability field. Below 400 °C, serpentinite deformation involves ;silent; semi-brittle mechanisms, even in cases where strain localization is observed. At high temperature (i.e., above 600 °C), despite conditions propitious to dehydration embrittlement (i.e., fast strain rates and reaction kinetics), joint deformation and dehydration lead to ductile shear, without generation of AEs. Brittle behavior was observed in a narrow temperature window ca. 500 °C. In this latter case, AEs are consistently observed upon faulting and extremely sharp strain localization is observed in recovered samples. The resulting microstructures are consistent with the inverse ductile-to-brittle transition proposed by Proctor and Hirth (2016) in antigorite. This may therefore be a source of seismicity in subducting slabs at mantle pressures and temperatures from 500 to 600 °C. However, the acoustic signal observed here is orders of magnitude weaker than what is obtained at low PT conditions with brittle failure, consistently with low radiation efficiency of serpentinite faulting (Prieto et al., 2013) and suggests that other mechanisms are responsible for large intermediate-depth earthquakes. In fact, the present results are in line with a recent study (Ferrand et al., 2017), that suggests that intermediate earthquakes are likely induced by mechanical instabilities due to dehydration in partly hydrated peridotites.

The optimum intermediate pressure of two-stages vapor compression refrigeration cycle for Air-Conditioning unit

NASA Astrophysics Data System (ADS)

Ambarita, H.; Sihombing, H. V.

2018-03-01

Vapor compression cycle is mainly employed as a refrigeration cycle in the Air-Conditioning (AC) unit. In order to save energy, the Coefficient of Performance (COP) of the need to be improved. One of the potential solutions is to modify the system into multi-stages vapor compression cycle. The suitable intermediate pressure between the high and low pressures is one of the design issues. The present work deals with the investigation of an optimum intermediate pressure of two-stages vapor compression refrigeration cycle. Typical vapor compression cycle that is used in AC unit is taken into consideration. The used refrigerants are R134a. The governing equations have been developed for the systems. An inhouse program has been developed to solve the problem. COP, mass flow rate of the refrigerant and compressor power as a function of intermediate pressure are plotted. It was shown that there exists an optimum intermediate pressure for maximum COP. For refrigerant R134a, the proposed correlations need to be revised.

Surface nematic order in iron pnictides

NASA Astrophysics Data System (ADS)

Song, Kok Wee; Koshelev, Alexei E.

2016-09-01

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. We found that the interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. The intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe2As2 -xPx .

Lead exposure in children living in a smelter community in region Lagunera, Mexico.

PubMed

García Vargas, G G; Rubio Andrade, M; Del Razo, L M; Borja Aburto, V; Vera Aguilar, E; Cebrián, M E

2001-03-23

Industrial growth has created the potential for environmental problems in Mexico, since attention to environmental controls and urban planning has lagged behind the pace of industrialization. The aim of this cross-sectional study was to assess lead exposure in children aged 6-9 yr attending 3 primary schools and living in the vicinity of the largest smelter complex in Mexico. One of the schools is located 650 m distant from a smelter complex that includes a lead smelter (close school); the second is located 1750 m away from the complex and at the side of a heavy traffic road (intermediate school) in Torreon, Coahuila. The third school is located in Comez Palacio, Durango, 8100 m away from the smelter complex and distant from heavy vehicular traffic or industrial areas (remote school). Lead was measured in air, soil, dust, and well water. Lead in blood (PbB) was determined in 394 children attending the above mentioned schools. Determinations were performed by atomic absorption spectrometry. Diet, socioeconomic status, hygienic habits, and other variables were assessed by questionnaire. Median (range) PbB values were 7.8 microg/dl (3.54-29.61) in the remote school, 21.8 microg/dl (8.37-52.08) in the intermediate school and 27.6 microg/dl (7.37-58.53) in children attending the close school. The percentage of children with PbB > 15 microg/dl was 6.80%, 84.9%, and 92.1% respectively. In this order, the geometric means (range) of Pb concentrations in air were 2.5 microg/m3 (1.1-7.5), 5.8 microg/m3 (4.3-8.5), and 6.1 microg/m3 (1.6-14.9). The Pb concentrations in dust from playgrounds areas in the intermediate and close school settings ranged from 1,457 to 4,162.5 mg/kg. Pb concentrations in drinking water were less than 5 microg/L. Soil and dust ingestion and inhalation appear to be the main routes of exposure. Our results indicate that environmental contamination has resulted in an increased body burden of Pb, suggesting that children living in the vicinity of the smelter complex are at high risk for adverse effects of lead.

Inverted micellar intermediates and the transitions between lamellar, cubic, and inverted hexagonal lipid phases. II. Implications for membrane-membrane interactions and membrane fusion.

PubMed Central

Siegel, D P

1986-01-01

Results of a kinetic model of thermotropic L alpha----HII phase transitions are used to predict the types and order-of-magnitude rates of interactions between unilamellar vesicles that can occur by intermediates in the L alpha----HII phase transition. These interactions are: outer monolayer lipid exchange between vesicles; vesicle leakage subsequent to aggregation; and (only in systems with ratios of L alpha and HII phase structural dimensions in a certain range or with unusually large bilayer lateral compressibilities) vesicle fusion with retention of contents. It was previously proposed that inverted micellar structures mediate membrane fusion. These inverted micellar structures are thought to form in all systems with such transitions. However, I show that membrane fusion probably occurs via structures that form from these inverted micellar intermediates, and that fusion should occur in only a sub-set of lipid systems that can adopt the HII phase. For single-component phosphatidylethanolamine (PE) systems with thermotropic L alpha----HII transitions, lipid exchange should be observed starting at temperatures several degrees below TH and at all higher temperatures, where TH is the L alpha----HII transition temperature. At temperatures above TH, the HII phase forms between apposed vesicles, and eventually ruptures them (leakage). In most single-component PE systems, fusion via L alpha----HII transition intermediates should not occur. This is the behavior observed by Bentz, Ellens, Lai, Szoka, et al. in PE vesicle systems. Fusion is likely to occur under circumstances in which multilamellar samples of lipid form the so-called "inverted cubic" or "isotropic" phase. This is as observed in the mono-methyl DOPE system (Ellens, H., J. Bentz, and F. C. Szoka. 1986. Fusion of phosphatidylethanolamine containing liposomes and the mechanism of the L alpha-HII phase transition. Biochemistry. In press.) In lipid systems with L alpha----HII transitions driven by cation binding (e.g., Ca2+-cardiolipin), fusion should be more frequent than in thermotropic systems. PMID:3719075

Preparation of ordered mesoporous and macroporous thermoplastic polyurethane surfaces for potential medical applications.

PubMed

Chennell, Philip; Feschet-Chassot, Emmanuelle; Sautou, Valérie; Mailhot-Jensen, Bénédicte

2018-05-01

Thermoplastic polyurethanes are widely used in medical devices. In order to limit some of their shortfalls, like microbial attachment, surfaces modifications can be required. In this work, a two-step replication method was used to create ordered macroporous and mesoporous thermoplastic polyurethane surfaces using anodic aluminum oxide as master template. The intermediate mould materials that were tested were polystyrene and a polyacrylate resin with inorganic filler. All obtained surfaces were characterized by scanning electron microscopy. The initial anodic aluminum oxide surfaces possessed macro or mesopores, function of anodization conditions. The intermediate mould structure correctly replicated the pattern, but the polystyrene surface structures (pillars) were less resistant than the polyacrylate resin ones. The thermoplastic polyurethane pattern possessed macropores or mesopores of about 130 nm or 46 nm diameter and of about 300 nm or 99 nm interpore distances, respectively, in accordance with the initial pattern. Thermoplastic polyurethanes pore depth was however less than initial anodic aluminum oxide pore depth, linked to an incomplete replication during intermediate mould preparation (60 to 90% depth replication). The correct replication of the original pattern confirms that this novel fabrication method is a promising route for surface patterning of thermoplastic polyurethanes that could be used for medical applications.

Triple-α reaction rate constrained by stellar evolution models

NASA Astrophysics Data System (ADS)

Suda, Takuma; Hirschi, Raphael; Fujimoto, Masayuki Y.

2012-11-01

We investigate the quantitative constraint on the triple-α reaction rate based on stellar evolution theory, motivated by the recent significant revision of the rate proposed by nuclear physics calculations. Targeted stellar models were computed in order to investigate the impact of that rate in the mass range of 0.8<=M/Msolar<=25 and in the metallicity range between Z = 0 and Z = 0.02. The revised rate has a significant impact on the evolution of low-and intermediate-mass stars, while its influence on the evolution of massive stars (M > 10Msolar) is minimal. We find that employing the revised rate suppresses helium shell flashes on AGB phase for stars in the initial mass range 0.8<=M/Msolar<=6, which is contradictory to what is observed. The absence of helium shell flashes is due to the weak temperature dependence of the revised triple-α reaction cross section at the temperature involved. In our models, it is suggested that the temperature dependence of the cross section should have at least ν > 10 at T = 1-1.2×108K where the cross section is proportional to Tν. We also derive the helium ignition curve to estimate the maximum cross section to retain the low-mass first red giants. The semi-analytically derived ignition curves suggest that the reaction rate should be less than ~ 10-29 cm6 s-1 mole-2 at ~ 107.8 K, which corresponds to about three orders of magnitude larger than that of the NACRE compilation.

Calculated Third Order Rate Constants for Interpreting the Mechanisms of Hydrolyses of Chloroformates, Carboxylic Acid Halides, Sulfonyl Chlorides and Phosphorochloridates

PubMed Central

Bentley, T. William

2015-01-01

Hydrolyses of acid derivatives (e.g., carboxylic acid chlorides and fluorides, fluoro- and chloroformates, sulfonyl chlorides, phosphorochloridates, anhydrides) exhibit pseudo-first order kinetics. Reaction mechanisms vary from those involving a cationic intermediate (SN1) to concerted SN2 processes, and further to third order reactions, in which one solvent molecule acts as the attacking nucleophile and a second molecule acts as a general base catalyst. A unified framework is discussed, in which there are two reaction channels—an SN1-SN2 spectrum and an SN2-SN3 spectrum. Third order rate constants (k3) are calculated for solvolytic reactions in a wide range of compositions of acetone-water mixtures, and are shown to be either approximately constant or correlated with the Grunwald-Winstein Y parameter. These data and kinetic solvent isotope effects, provide the experimental evidence for the SN2-SN3 spectrum (e.g., for chloro- and fluoroformates, chloroacetyl chloride, p-nitrobenzoyl p-toluenesulfonate, sulfonyl chlorides). Deviations from linearity lead to U- or V-shaped plots, which assist in the identification of the point at which the reaction channel changes from SN2-SN3 to SN1-SN2 (e.g., for benzoyl chloride). PMID:26006228

Calculated third order rate constants for interpreting the mechanisms of hydrolyses of chloroformates, carboxylic Acid halides, sulfonyl chlorides and phosphorochloridates.

PubMed

Bentley, T William

2015-05-08

Hydrolyses of acid derivatives (e.g., carboxylic acid chlorides and fluorides, fluoro- and chloroformates, sulfonyl chlorides, phosphorochloridates, anhydrides) exhibit pseudo-first order kinetics. Reaction mechanisms vary from those involving a cationic intermediate (SN1) to concerted SN2 processes, and further to third order reactions, in which one solvent molecule acts as the attacking nucleophile and a second molecule acts as a general base catalyst. A unified framework is discussed, in which there are two reaction channels-an SN1-SN2 spectrum and an SN2-SN3 spectrum. Third order rate constants (k3) are calculated for solvolytic reactions in a wide range of compositions of acetone-water mixtures, and are shown to be either approximately constant or correlated with the Grunwald-Winstein Y parameter. These data and kinetic solvent isotope effects, provide the experimental evidence for the SN2-SN3 spectrum (e.g., for chloro- and fluoroformates, chloroacetyl chloride, p-nitrobenzoyl p-toluenesulfonate, sulfonyl chlorides). Deviations from linearity lead to U- or V-shaped plots, which assist in the identification of the point at which the reaction channel changes from SN2-SN3 to SN1-SN2 (e.g., for benzoyl chloride).

Intermediate honeycomb ordering to trigger oxygen redox chemistry in layered battery electrode

NASA Astrophysics Data System (ADS)

Mortemard de Boisse, Benoit; Liu, Guandong; Ma, Jiangtao; Nishimura, Shin-Ichi; Chung, Sai-Cheong; Kiuchi, Hisao; Harada, Yoshihisa; Kikkawa, Jun; Kobayashi, Yoshio; Okubo, Masashi; Yamada, Atsuo

2016-04-01

Sodium-ion batteries are attractive energy storage media owing to the abundance of sodium, but the low capacities of available cathode materials make them impractical. Sodium-excess metal oxides Na2MO3 (M: transition metal) are appealing cathode materials that may realize large capacities through additional oxygen redox reaction. However, the general strategies for enhancing the capacity of Na2MO3 are poorly established. Here using two polymorphs of Na2RuO3, we demonstrate the critical role of honeycomb-type cation ordering in Na2MO3. Ordered Na2RuO3 with honeycomb-ordered [Na1/3Ru2/3]O2 slabs delivers a capacity of 180 mAh g-1 (1.3-electron reaction), whereas disordered Na2RuO3 only delivers 135 mAh g-1 (1.0-electron reaction). We clarify that the large extra capacity of ordered Na2RuO3 is enabled by a spontaneously ordered intermediate Na1RuO3 phase with ilmenite O1 structure, which induces frontier orbital reorganization to trigger the oxygen redox reaction, unveiling a general requisite for the stable oxygen redox reaction in high-capacity Na2MO3 cathodes.

Intermediate honeycomb ordering to trigger oxygen redox chemistry in layered battery electrode.

PubMed

Mortemard de Boisse, Benoit; Liu, Guandong; Ma, Jiangtao; Nishimura, Shin-ichi; Chung, Sai-Cheong; Kiuchi, Hisao; Harada, Yoshihisa; Kikkawa, Jun; Kobayashi, Yoshio; Okubo, Masashi; Yamada, Atsuo

2016-04-18

Sodium-ion batteries are attractive energy storage media owing to the abundance of sodium, but the low capacities of available cathode materials make them impractical. Sodium-excess metal oxides Na2MO3 (M: transition metal) are appealing cathode materials that may realize large capacities through additional oxygen redox reaction. However, the general strategies for enhancing the capacity of Na2MO3 are poorly established. Here using two polymorphs of Na2RuO3, we demonstrate the critical role of honeycomb-type cation ordering in Na2MO3. Ordered Na2RuO3 with honeycomb-ordered [Na(1/3)Ru(2/3)]O2 slabs delivers a capacity of 180 mAh g(-1) (1.3-electron reaction), whereas disordered Na2RuO3 only delivers 135 mAh g(-1) (1.0-electron reaction). We clarify that the large extra capacity of ordered Na2RuO3 is enabled by a spontaneously ordered intermediate Na1RuO3 phase with ilmenite O1 structure, which induces frontier orbital reorganization to trigger the oxygen redox reaction, unveiling a general requisite for the stable oxygen redox reaction in high-capacity Na2MO3 cathodes.

Electronic behavior of highly correlated metals

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

Reich, A.

1988-10-01

This thesis addresses the question of the strongly interacting many-body problem: that is, systems where the interparticle correlations are so strong as to defy perturbative approaches. These subtle correlations occur in narrow band materials, such as the lanthanides and actinides, wherein the f-electrons are so localized that a variety of new phenomena, including intermediate-valence and heavy-fermionic behavior, may occur. As well, one has the alloying problem, where local interactions are paramount in determining the overall behavior. The technique employed in dealing with these systems is the Small Cluster method, wherein the full many-body Hamiltonian for a small grouping of atoms,more » coupled with periodic boundary conditions, is solved exactly. This is tantamount to solving a bulk crystal at the high points of symmetry in the Brillouin Zone. The mathematical overhead is further reduced by employing the full space group and spin symmetries. By its very nature, the Small Cluster method is well able to handle short-range interactions, as well as the combinatorial complexity of the many-body problem, on an equal footing. The nature of long-range order and phase transition behavior cannot be incorporated, but sometimes clues as to their origin can be discerned. The calculations presented include: a two-band Anderson model for an intermediate-valence system, wherein photoemission and fluctuation behavior is examined; a single-band Hubbard model for a ternary alloy system, such as copper-silver-gold; and a Hubbard model for a heavy- fermion system, wherein Fermi surface, transport, magnetic and superconducting properties are discussed. 148 refs., 31 figs., 24 tabs.« less

LBT/MODS spectroscopy of globular clusters in the irregular galaxy NGC 4449

NASA Astrophysics Data System (ADS)

Annibali, F.; Morandi, E.; Watkins, L. L.; Tosi, M.; Aloisi, A.; Buzzoni, A.; Cusano, F.; Fumana, M.; Marchetti, A.; Mignoli, M.; Mucciarelli, A.; Romano, D.; van der Marel, R. P.

2018-05-01

We present intermediate-resolution (R ˜ 1000) spectra in the ˜3500-10 000 Å range of 14 globular clusters in the Magellanic irregular galaxy NGC 4449 acquired with the Multi-Object Double Spectrograph on the Large Binocular Telescope. We derived Lick indices in the optical and the Ca II triplet index in the near-infrared in order to infer the clusters' stellar population properties. The inferred cluster ages are typically older than ˜9 Gyr, although ages are derived with large uncertainties. The clusters exhibit intermediate metallicities, in the range -1.2 ≲ [Fe/H] ≲ -0.7, and typically sub-solar [α/Fe] ratios, with a peak at ˜-0.4. These properties suggest that (i) during the first few Gyr NGC 4449 formed stars slowly and inefficiently, with galactic winds having possibly contributed to the expulsion of the α-elements, and (ii) globular clusters in NGC 4449 formed relatively `late', from a medium already enriched in the products of Type Ia supernovae. The majority of clusters appear also underabundant in CN compared to Milky Way halo globular clusters, perhaps because of the lack of a conspicuous N-enriched, second generation of stars like that observed in Galactic globular clusters. Using the cluster velocities, we infer the dynamical mass of NGC 4449 inside 2.88 kpc to be M(<2.88 kpc) = 3.15^{+3.16}_{-0.75} × 10^9 M_{\\odot }. We also report the serendipitous discovery of a planetary nebula within one of the targeted clusters, a rather rare event.

Photon Intermediate Direct Energy Conversion Using a Strontium-90 Beta Source

NASA Astrophysics Data System (ADS)

Schott, Robert J.

This thesis covers an examination of a need for a compact, long lived power source and a proof of concept for one such design. To begin, tests were done dealing with photovoltaics and their lifetime while undergoing radiation damage from the source of interest, Strontium-90 (Sr-90). After completing these tests a system was designed, built, and ultimately tested over a range of pressures in order to test if a Photon Intermediate Direct Energy Conversion (PIDEC) system would be potentially viable. In brief, the PIDEC system tested for this thesis used two excimer gasses, Argon and Xenon, to produce photons. These gasses were excited into excimer production using a 10 mCi Sr-90 source and held in place at pressures ranging from 10-6 to 2400 psi by a pressure vessel. Photons produced were guided towards a photovoltaic by a mirror chamber lined with high efficiency aluminum mirrors. Outside of the pressure vessel a picoammeter read the current off of the photovoltaic and sent the current to a computer for data processing. Of primary interest was how the current changed based on the amount of energy captured by the gas plenum which was related to the pressure of the system. The overall efficiency of this system was low due to a non-optimized waveguide, much of the beta energy being lost beyond the gas plenum, and other factors. However, the results were sufficient to show that the process was successfully completed and making a new system to optimize for these features is warranted.

Memory in a fractional-order cardiomyocyte model alters properties of alternans and spontaneous activity

NASA Astrophysics Data System (ADS)

Comlekoglu, T.; Weinberg, S. H.

2017-09-01

Cardiac memory is the dependence of electrical activity on the prior history of one or more system state variables, including transmembrane potential (Vm), ionic current gating, and ion concentrations. While prior work has represented memory either phenomenologically or with biophysical detail, in this study, we consider an intermediate approach of a minimal three-variable cardiomyocyte model, modified with fractional-order dynamics, i.e., a differential equation of order between 0 and 1, to account for history-dependence. Memory is represented via both capacitive memory, due to fractional-order Vm dynamics, that arises due to non-ideal behavior of membrane capacitance; and ionic current gating memory, due to fractional-order gating variable dynamics, that arises due to gating history-dependence. We perform simulations for varying Vm and gating variable fractional-orders and pacing cycle length and measure action potential duration (APD) and incidence of alternans, loss of capture, and spontaneous activity. In the absence of ionic current gating memory, we find that capacitive memory, i.e., decreased Vm fractional-order, typically shortens APD, suppresses alternans, and decreases the minimum cycle length (MCL) for loss of capture. However, in the presence of ionic current gating memory, capacitive memory can prolong APD, promote alternans, and increase MCL. Further, we find that reduced Vm fractional order (typically less than 0.75) can drive phase 4 depolarizations that promote spontaneous activity. Collectively, our results demonstrate that memory reproduced by a fractional-order model can play a role in alternans formation and pacemaking, and in general, can greatly increase the range of electrophysiological characteristics exhibited by a minimal model.

Individual and age-related variation in chromatic contrast adaptation

PubMed Central

Elliott, Sarah L.; Werner, John S.; Webster, Michael A.

2012-01-01

Precortical color channels are tuned primarily to the LvsM (stimulation of L and M cones varied, but S cone stimulation held constant) or SvsLM (stimulation of S cones varied, but L and M cone stimulation held constant) cone-opponent (cardinal) axes, but appear elaborated in the cortex to form higher-order mechanisms tuned to both cardinal and intermediate directions. One source of evidence for these higher-order mechanisms has been the selectivity of color contrast adaptation for noncardinal directions, yet the degree of this selectivity has varied widely across the small sample of observers tested in previous studies. This study explored the possible bases for this variation, and in particular tested whether it reflected age-related changes in the distribution or tuning of color mechanisms. Observers included 15 younger (18–22 years of age) and 15 older individuals (66–82), who adapted to temporal modulations along one of four chromatic axes (two cardinal and two intermediate axes) and then matched the hue and contrast of test stimuli lying along eight different directions in the equiluminant plane. All observers exhibited aftereffects that were selective for both the cardinal and intermediate directions, although selectivity was weaker for the intermediate axes. The degree of selectivity increased with the magnitude of adaptation for all axes, and thus adaptation strength alone may account for much of the variance in selectivity among observers. Older observers showed a stronger magnitude of adaptation thus, surprisingly, more conspicuous evidence for higher-order mechanisms. For both age groups the aftereffects were well predicted by response changes in chromatic channels with linear spectral sensitivities, and there was no evidence for weakened channel tuning with aging. The results suggest that higher-order mechanisms may become more exposed in observers or conditions in which the strength of adaptation is greater, and that both chromatic contrast adaptation and the cortical color coding it reflects remain largely intact in the aging visual system. PMID:22904356

Experimental study on the performance of the vapor injection refrigeration system with an economizer for intermediate pressures

NASA Astrophysics Data System (ADS)

Moon, Chang-Uk; Choi, Kwang-Hwan; Yoon, Jung-In; Kim, Young-Bok; Son, Chang-Hyo; Ha, Soo-Jung; Jeon, Min-Ju; An, Sang-Young; Lee, Joon-Hyuk

2018-04-01

In this study, to investigate the performance characteristics of vapor injection refrigeration system with an economizer at an intermediate pressure, the vapor injection refrigeration system was analyzed under various experiment conditions. As a result, the optimum design data of the vapor injection refrigeration system with an economizer were obtained. The findings from this study can be summarized as follows. The mass flow rate through the compressor increases with intermediate pressure. The compression power input showed an increasing trend under all the test conditions. The evaporation capacity increased and then decreased at the intermediate pressure, and as such, it became maximum at the given intermediate pressure. The increased mass flow rate of the by-passed refrigerant enhanced the evaporation capacity at the low medium pressure range, but the increased saturation temperature limited the subcooling degree of the liquid refrigerant after the application of the economizer when the intermediate pressure kept rising, and degenerated the evaporation capacity. The coefficient of performance (COP) increased and then decreased with respect to the intermediate pressures under all the experiment conditions. Nevertheless, there was an optimum intermediate pressure for the maximum COP under each experiment condition. Therefore, the optimum intermediate pressure in this study was found at -99.08 kPa, which is the theoretical standard medium pressure under all the test conditions.

Design and Performance Analysis of an Intrinsically Safe Ultrasonic Ranging Sensor

PubMed Central

Zhang, Hongjuan; Wang, Yu; Zhang, Xu; Wang, Dong; Jin, Baoquan

2016-01-01

In flammable or explosive environments, an ultrasonic sensor for distance measurement poses an important engineering safety challenge, because the driving circuit uses an intermediate frequency transformer as an impedance transformation element, in which the produced heat or spark is available for ignition. In this paper, an intrinsically safe ultrasonic ranging sensor is designed and implemented. The waterproof piezoelectric transducer with integrated transceiver is chosen as an energy transducing element. Then a novel transducer driving circuit is designed based on an impedance matching method considering safety spark parameters to replace an intermediate frequency transformer. Then, an energy limiting circuit is developed to achieve dual levels of over-voltage and over-current protection. The detail calculation and evaluation are executed and the electrical characteristics are analyzed to verify the intrinsic safety of the driving circuit. Finally, an experimental platform of the ultrasonic ranging sensor system is constructed, which involves short-circuit protection. Experimental results show that the proposed ultrasonic ranging sensor is excellent in both ranging performance and intrinsic safety. PMID:27304958

Design and Performance Analysis of an Intrinsically Safe Ultrasonic Ranging Sensor.

PubMed

Zhang, Hongjuan; Wang, Yu; Zhang, Xu; Wang, Dong; Jin, Baoquan

2016-06-13

In flammable or explosive environments, an ultrasonic sensor for distance measurement poses an important engineering safety challenge, because the driving circuit uses an intermediate frequency transformer as an impedance transformation element, in which the produced heat or spark is available for ignition. In this paper, an intrinsically safe ultrasonic ranging sensor is designed and implemented. The waterproof piezoelectric transducer with integrated transceiver is chosen as an energy transducing element. Then a novel transducer driving circuit is designed based on an impedance matching method considering safety spark parameters to replace an intermediate frequency transformer. Then, an energy limiting circuit is developed to achieve dual levels of over-voltage and over-current protection. The detail calculation and evaluation are executed and the electrical characteristics are analyzed to verify the intrinsic safety of the driving circuit. Finally, an experimental platform of the ultrasonic ranging sensor system is constructed, which involves short-circuit protection. Experimental results show that the proposed ultrasonic ranging sensor is excellent in both ranging performance and intrinsic safety.

Optimization of Wireless Power Transfer Systems Enhanced by Passive Elements and Metasurfaces

NASA Astrophysics Data System (ADS)

Lang, Hans-Dieter; Sarris, Costas D.

2017-10-01

This paper presents a rigorous optimization technique for wireless power transfer (WPT) systems enhanced by passive elements, ranging from simple reflectors and intermedi- ate relays all the way to general electromagnetic guiding and focusing structures, such as metasurfaces and metamaterials. At its core is a convex semidefinite relaxation formulation of the otherwise nonconvex optimization problem, of which tightness and optimality can be confirmed by a simple test of its solutions. The resulting method is rigorous, versatile, and general -- it does not rely on any assumptions. As shown in various examples, it is able to efficiently and reliably optimize such WPT systems in order to find their physical limitations on performance, optimal operating parameters and inspect their working principles, even for a large number of active transmitters and passive elements.

Dramatic change of photoexcited quasiparticle relaxation dynamics across Yb valence state transition in YbInCu4

NASA Astrophysics Data System (ADS)

Zhang, M. Y.; Chen, R. Y.; Dong, T.; Wang, N. L.

2017-04-01

YbInCu4 undergoes a first-order structural phase transition near Tv=40 K associated with an abrupt change of Yb valence state. We perform an ultrafast pump-probe measurement on YbInCu4 and find that the expected heavy-fermion properties arising from the c -f hybridization exist only in a limited temperature range above Tv. Below Tv, the compound behaves as a normal metal though a prominent hybridization energy gap is still present in the infrared measurement. We elaborate that those seemingly controversial phenomena could be well explained by assuming that the Fermi level suddenly shifts up and moves away from the flat f -electron band as well as the indirect hybridization energy gap in the intermediate valence state below Tv.

Optimal symmetric flight studies

NASA Technical Reports Server (NTRS)

Weston, A. R.; Menon, P. K. A.; Bilimoria, K. D.; Cliff, E. M.; Kelley, H. J.

1985-01-01

Several topics in optimal symmetric flight of airbreathing vehicles are examined. In one study, an approximation scheme designed for onboard real-time energy management of climb-dash is developed and calculations for a high-performance aircraft presented. In another, a vehicle model intermediate in complexity between energy and point-mass models is explored and some quirks in optimal flight characteristics peculiar to the model uncovered. In yet another study, energy-modelling procedures are re-examined with a view to stretching the range of validity of zeroth-order approximation by special choice of state variables. In a final study, time-fuel tradeoffs in cruise-dash are examined for the consequences of nonconvexities appearing in the classical steady cruise-dash model. Two appendices provide retrospective looks at two early publications on energy modelling and related optimal control theory.

Psychometric Functions of Dual-Task Paradigms for Measuring Listening Effort.

PubMed

Wu, Yu-Hsiang; Stangl, Elizabeth; Zhang, Xuyang; Perkins, Joanna; Eilers, Emily

The purpose of the study was to characterize the psychometric functions that describe task performance in dual-task listening effort measures as a function of signal to noise ratio (SNR). Younger adults with normal hearing (YNH, n = 24; experiment 1) and older adults with hearing impairment (n = 24; experiment 2) were recruited. Dual-task paradigms wherein the participants performed a primary speech recognition task simultaneously with a secondary task were conducted at a wide range of SNRs. Two different secondary tasks were used: an easy task (i.e., a simple visual reaction-time task) and a hard task (i.e., the incongruent Stroop test). The reaction time (RT) quantified the performance of the secondary task. For both participant groups and for both easy and hard secondary tasks, the curves that described the RT as a function of SNR were peak shaped. The RT increased as SNR changed from favorable to intermediate SNRs, and then decreased as SNRs moved from intermediate to unfavorable SNRs. The RT reached its peak (longest time) at the SNRs at which the participants could understand 30 to 50% of the speech. In experiments 1 and 2, the dual-task trials that had the same SNR were conducted in one block. To determine if the peak shape of the RT curves was specific to the blocked SNR presentation order used in these experiments, YNH participants were recruited (n = 25; experiment 3) and dual-task measures, wherein the SNR was varied from trial to trial (i.e., nonblocked), were conducted. The results indicated that, similar to the first two experiments, the RT curves had a peak shape. Secondary task performance was poorer at the intermediate SNRs than at the favorable and unfavorable SNRs. This pattern was observed for both YNH and older adults with hearing impairment participants and was not affected by either task type (easy or hard secondary task) or SNR presentation order (blocked or nonblocked). The shorter RT at the unfavorable SNRs (speech intelligibility < 30%) possibly reflects that the participants experienced cognitive overload and/or disengaged themselves from the listening task. The implication of using the dual-task paradigm as a listening effort measure is discussed.

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

Song, Kok Wee; Koshelev, Alexei E.

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. In addition, we found that themore » interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. Lastly, the intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe 2As 2-xP x .« less

Correlation and nuclear distortion effects of Cr-substituted ZnSe.

PubMed

Tablero, C

2007-04-28

There is a great deal of interest in the effect of the correlation and effect of the atomic distortion in materials with a metallic intermediate band. This band, situated within the semiconductor band gaps, would be split, thus creating two bands, a full one below the Fermi energy and an empty one above it, i.e., a metal-insulator transition. This basic electronic band structure corresponds to intermediate band materials and is characteristic of transparent-conducting oxides, up and down converters, and intermediate band solar cells. A sufficiently high density of Cr in ZnSe substituting the Zn atoms leads to a microscopic intermediate band, in which these effects will be analyzed. A Hubbard term has been included to improve the description of the many-body effect. This term modifies the bandwidth of the intermediate band, the Fermi energy, and breaks the orbital-occupation degeneracy. From the results, the intermediate band is not split within the range of Hubbard term values analyzed and for Cr substituting Zn from 0.463% to 3.125% of Cr atomic concentration.

Gapped paramagnetic state in a frustrated spin-1/2 Heisenberg antiferromagnet on the cross-striped square lattice

NASA Astrophysics Data System (ADS)

Li, P. H. Y.; Bishop, R. F.

2018-03-01

We implement the coupled cluster method to very high orders of approximation to study the spin-1/2 J1 -J2 Heisenberg model on a cross-striped square lattice. Every nearest-neighbour pair of sites on the square lattice has an isotropic antiferromagnetic exchange bond of strength J1 > 0 , while the basic square plaquettes in alternate columns have either both or neither next-nearest-neighbour (diagonal) pairs of sites connected by an equivalent frustrating bond of strength J2 ≡ αJ1 > 0 . By studying the magnetic order parameter (i.e., the average local on-site magnetization) in the range 0 ≤ α ≤ 1 of the frustration parameter we find that the quasiclassical antiferromagnetic Néel and (so-called) double Néel states form the stable ground-state phases in the respective regions α < α1ac = 0 . 46(1) and α > α1bc = 0.615(5) . The double Néel state has Néel (⋯ ↑↓↑↓ ⋯) ordering along the (column) direction parallel to the stripes of squares with both or no J2 bonds, and spins alternating in a pairwise (⋯ ↑↑↓↓↑↑↓↓ ⋯) fashion along the perpendicular (row) direction, so that the parallel pairs occur on squares with both J2 bonds present. Further explicit calculations of both the triplet spin gap and the zero-field uniform transverse magnetic susceptibility provide compelling evidence that the ground-state phase over all or most of the intermediate regime α1ac < α < α1bc is a gapped state with no discernible long-range magnetic order.

An Effective Method to Detect Volatile Intermediates Generated in the Bioconversion of Coal to Methane by Gas Chromatography-Mass Spectrometry after In-Situ Extraction Using Headspace Solid-Phase Micro-Extraction under Strict Anaerobic Conditions.

PubMed

Liu, Jianmin; Wang, Baoyu; Tai, Chao; Wu, Li; Zhao, Han; Guan, Jiadong; Chen, Linyong

2016-01-01

Bioconversion of coal to methane has gained increased attention in recent decades because of its economic and environmental advantages. However, the mechanism of this process is difficult to study in depth, partly because of difficulties associated with the analysis of intermediates generated in coal bioconversion. In this investigation, we report on an effective method to analyze volatile intermediates generated in the bioconversion of coal under strict anaerobic conditions. We conduct in-situ extraction of intermediates using headspace solid-phase micro-extraction followed by detection by gas chromatography-mass spectrometry. Bioconversion simulation equipment was modified and combined with a solid-phase micro-extraction device. In-situ extraction could be achieved by using the combined units, to avoid a breakdown in anaerobic conditions and to maintain the experiment continuity. More than 30 intermediates were identified qualitatively in the conversion process, and the variation in trends of some typical intermediates has been discussed. Volatile organic acids (C2-C7) were chosen for a quantitative study of the intermediates because of their importance during coal bioconversion to methane. Fiber coating, extraction time, and solution acidity were optimized in the solid-phase micro-extraction procedure. The pressure was enhanced during the bioconversion process to investigate the influence of headspace pressure on analyte extraction. The detection limits of the method ranged from 0.0006 to 0.02 mmol/L for the volatile organic acids and the relative standard deviations were between 4.6% and 11.5%. The volatile organic acids (C2-C7) generated in the bioconversion process were 0.01-1.15 mmol/L with a recovery range from 80% to 105%. The developed method is useful for further in-depth research on the bioconversion of coal to methane.

An Effective Method to Detect Volatile Intermediates Generated in the Bioconversion of Coal to Methane by Gas Chromatography-Mass Spectrometry after In-Situ Extraction Using Headspace Solid-Phase Micro-Extraction under Strict Anaerobic Conditions

PubMed Central

Liu, Jianmin; Wang, Baoyu; Tai, Chao; Wu, Li; Zhao, Han; Guan, Jiadong; Chen, Linyong

2016-01-01

Bioconversion of coal to methane has gained increased attention in recent decades because of its economic and environmental advantages. However, the mechanism of this process is difficult to study in depth, partly because of difficulties associated with the analysis of intermediates generated in coal bioconversion. In this investigation, we report on an effective method to analyze volatile intermediates generated in the bioconversion of coal under strict anaerobic conditions. We conduct in-situ extraction of intermediates using headspace solid-phase micro-extraction followed by detection by gas chromatography-mass spectrometry. Bioconversion simulation equipment was modified and combined with a solid-phase micro-extraction device. In-situ extraction could be achieved by using the combined units, to avoid a breakdown in anaerobic conditions and to maintain the experiment continuity. More than 30 intermediates were identified qualitatively in the conversion process, and the variation in trends of some typical intermediates has been discussed. Volatile organic acids (C2–C7) were chosen for a quantitative study of the intermediates because of their importance during coal bioconversion to methane. Fiber coating, extraction time, and solution acidity were optimized in the solid-phase micro-extraction procedure. The pressure was enhanced during the bioconversion process to investigate the influence of headspace pressure on analyte extraction. The detection limits of the method ranged from 0.0006 to 0.02 mmol/L for the volatile organic acids and the relative standard deviations were between 4.6% and 11.5%. The volatile organic acids (C2–C7) generated in the bioconversion process were 0.01–1.15 mmol/L with a recovery range from 80% to 105%. The developed method is useful for further in-depth research on the bioconversion of coal to methane. PMID:27695055

Differentiating snail intermediate hosts of Schistosoma spp. using molecular approaches: fundamental to successful integrated control mechanism in Africa.

PubMed

Abe, Eniola Michael; Guan, Wei; Guo, Yun-Hai; Kassegne, Kokouvi; Qin, Zhi-Qiang; Xu, Jing; Chen, Jun-Hu; Ekpo, Uwem Friday; Li, Shi-Zhu; Zhou, Xiao-Nong

2018-03-26

Snail intermediate hosts play active roles in the transmission of snail-borne trematode infections in Africa. A good knowledge of snail-borne diseases epidemiology particularly snail intermediate host populations would provide the necessary impetus to complementing existing control strategy. This review highlights the importance of molecular approaches in differentiating snail hosts population structure and the need to provide adequate information on snail host populations by updating snail hosts genome database for Africa, in order to equip different stakeholders with adequate information on the ecology of snail intermediate hosts and their roles in the transmission of different diseases. Also, we identify the gaps and areas where there is need for urgent intervention to facilitate effective integrated control of schistosomiasis and other snail-borne trematode infections. Prioritizing snail studies, especially snail differentiation using molecular tools will boost disease surveillance and also enhance efficient schistosomaisis control programme in Africa.

A density functional theory study on peptide bond cleavage at aspartic residues: direct vs cyclic intermediate hydrolysis.

PubMed

Sang-aroon, Wichien; Amornkitbamrung, Vittaya; Ruangpornvisuti, Vithaya

2013-12-01

In this work, peptide bond cleavages at carboxy- and amino-sides of the aspartic residue in a peptide model via direct (concerted and step-wise) and cyclic intermediate hydrolysis reaction pathways were explored computationally. The energetics, thermodynamic properties, rate constants, and equilibrium constants of all hydrolysis reactions, as well as their energy profiles were computed at the B3LYP/6-311++G(d,p) level of theory. The result indicated that peptide bond cleavage of the Asp residue occurred most preferentially via the cyclic intermediate hydrolysis pathway. In all reaction pathways, cleavage of the peptide bond at the amino-side occurred less preferentially than at the carboxy-side. The overall reaction rate constants of peptide bond cleavage of the Asp residue at the carboxy-side for the assisted system were, in increasing order: concerted < step-wise < cyclic intermediate.

Using eye-tracking to study the on-line processing of case-marking information among intermediate L2 learners of German

PubMed Central

Jackson, Carrie N.; Dussias, Paola E.; Hristova, Adelina

2012-01-01

This study uses eye-tracking to examine the processing of case-marking information in ambiguous subject- and object-first wh-questions in German. The position of the lexical verb was also manipulated via verb tense to investigate whether verb location influences how intermediate L2 learners process L2 sentences. Results show that intermediate L2 German learners were sensitive to case-marking information, exhibiting longer processing times on subject-first than object-first sentences, regardless of verb location. German native speakers exhibited the opposite word order preference, with longer processing times on object-first than subject-first sentences, replicating previous findings. These results are discussed in light of current L2 processing research, highlighting how methodological constraints influence researchers’ abilities to measure the on-line processing of morphosyntactic information among intermediate L2 learners. PMID:23493761

Primordial monopoles, proton decay, gravity waves and GUT inflation

DOE PAGES

Şenoğuz, Vedat Nefer; Shafi, Qaisar

2015-11-18

Here, we consider non-supersymmetric GUT inflation models in which intermediate mass monopoles may survive inflation because of the restricted number of e-foldings experienced by the accompanying symmetry breaking. Thus, an observable flux of primordial magnetic monopoles, comparable to or a few orders below the Parker limitmay be present in the galaxy. The mass scale associated with the intermediate symmetry breaking is 10 13 GeVfor an observable flux level, with the corresponding monopoles an order of magnitude or so heavier. Examples based on SO(10)and E 6 yield such intermediate mass monopoles carrying respectively two and three units of Dirac magnetic charge.more » For GUT inflation driven by a gauge singlet scalar field with a Coleman–Weinberg or Higgs potential, compatibility with the Planck measurement of the scalar spectral index yields a Hubble constant (during horizon exit of cosmological scales) H~7–9 ×10 13 GeV, with the tensor to scalar ratio rpredicted to be ≳0.02. Proton lifetime estimates for decays mediated by the superheavy gauge bosons are also provided.« less

Intense Mixing and Recirculations of Intermediate and Deep Water in the Northwest Argentine Basin

NASA Astrophysics Data System (ADS)

Valla, D.; Piola, A. R.

2016-02-01

The sources of the South Atlantic upper and intermediate waters that form the upper layer flow needed to maintain mass balance due the export of North Atlantic Deep Water from the North Atlantic are still under debate. The "cold path" scheme postulates that intermediate waters are injected into the South Atlantic from the Pacific through the Drake Passage, advected north by the Malvinas Current up to the Brazil/Malvinas Confluence (BMC) and circulated around the basin following the path of the subtropical gyre. We report high-quality hydrographic observations collected in the South Atlantic western boundary at 34.5 °S during 7 hydrographic cruises as part of the SAMOC project. We focus on the flow and characteristics of Antarctic Intermediate Water (AAIW) and Upper Circumpolar Deep Water (UCDW). The water mass analysis indicates the presence of "young" (fresh and highly oxygenated) varieties of AAIW (S<34.2, O2>6 ml·l-1) which must be derived from south of the SAMOC array. This suggests an alternative pathway for intermediate waters that involves a short circuit beneath the BMC. Simultaneous full-depth velocity measurements using lowered acoustic Doppler current profilers confirm this hypothesis. The flow direction across the SAMOC array in the UCDW range inferred from dissolved oxygen measurements also indicate the presence of UCDW (O2<4.2 ml·l-1) derived from farther south. However, the wider range of oxygen concentrations suggests strong recirculations of both water masses within the northwestern Argentine Basin.

What makes a feather shine? A nanostructural basis for glossy black colours in feathers.

PubMed

Maia, Rafael; D'Alba, Liliana; Shawkey, Matthew D

2011-07-07

Colours in feathers are produced by pigments or by nanostructurally organized tissues that interact with light. One of the simplest nanostructures is a single layer of keratin overlying a linearly organized layer of melanosomes that create iridescent colours of feather barbules through thin-film interference. Recently, it has been hypothesized that glossy (i.e. high specular reflectance) black feathers may be evolutionarily intermediate between matte black and iridescent feathers, and thus have a smooth keratin layer that produces gloss, but not the layered organization of melanosomes needed for iridescence. However, the morphological bases of glossiness remain unknown. Here, we use a theoretical approach to generate predictions about morphological differences between matte and glossy feathers that we then empirically test. Thin-film models predicted that glossy spectra would result from a keratin layer 110-180 nm thick and a melanin layer greater than 115 nm thick. Transmission electron microscopy data show that nanostructure of glossy barbules falls well within that range, but that of matte barbules does not. Further, glossy barbules had a thinner and more regular keratin cortex, as well as a more continuous underlying melanin layer, than matte barbules. Thus, their quasi-ordered nanostructures are morphologically intermediate between matte black and iridescent feathers, and perceived gloss may be a form of weakly chromatic iridescence.

A new chromosome race of Calycadenia pauciflora (Asteraceae: Heliantheae-Madiinae) from Butte County, California.

PubMed

Carr, G D; Carr, R L

2000-10-01

We initiated a biosystematic study of a recently discovered population of Calycadenia pauciflora in order to evaluate its cytogenetic relationship to previously characterized chromosome races of that species. Cytogenetic analyses of six or more artificially produced individuals of each of the five possible interracial hybrid combinations indicated that the new race (designated Wurlitzer) is differentiated from the other races (Elegans, Healdsburg, Pauciflora, Ramulosa, and Tehama) by the equivalent of 2-4 reciprocal chromosome translocations and in one instance apparently a pericentric inversion. Mean pollen stainability in the hybrids ranged from 13 to 26%. The floral and vegetative features of the new race are very similar to those of races Pauciflora, Ramulosa, and Tehama of C. pauciflora. We ascribe the apparent lack of single-step cytogenetic events in the evolution of the races of C. pauciflora to one or more of the following: (1) (in some cases) the occurrence of saltational chromosome reorganization; (2) extinction of or failure to detect intermediate populations in C. pauciflora; and (3) an insufficient consideration of the possibility of the existence of intermediate races in the closely related species, C. fremontii. We conclude that the C. fremontii-C. pauciflora alliance is one of the most complex and potentially instructive examples of diploid chromosome evolution in plants.

Evolution of microstructure of Haynes 230 and Inconel 617 under mechanical testing at high temperatures

NASA Astrophysics Data System (ADS)

Hrutkay, Kyle

Haynes 230 and Inconel 617 are austenitic nickel based superalloys, which are candidate structural materials for next generation high temperature nuclear reactors. High temperature deformation behavior of Haynes 230 and Inconel 617 have been investigated at the microstructural level in order to gain a better understanding of mechanical properties. Tensile tests were performed at strain rates ranging from 10-3-10-5 s -1 at room temperature, 600 °C, 800 °C and 950 °C. Subsequent microstructural analysis, including Scanning Electron Microscopy, Transmission Electron Microscopy, Energy-Dispersive X-ray Spectroscopy, and X-Ray Diffraction were used to relate the microstructural evolution at high temperatures to that of room temperature samples. Grain sizes and precipitate morphologies were used to determine high temperature behavior and fracture mechanics. Serrated flow was observed at intermediate and high temperatures as a result of discontinuous slip and dynamic recrystallization. The amplitude of serration increased with a decrease in the strain rate and increase in the temperature. Dynamic strain ageing was responsible for serrations at intermediate temperatures by means of a locking and unlocking phenomenon between dislocations and solute atoms. Dynamic recrystallization nucleated by grain and twin bulging resulting in a refinement of grain size. Existing models found in the literature were discussed to explain both of these phenomena.

Global assessment of molecularly identified Anisakis Dujardin, 1845 (Nematoda: Anisakidae) in their teleost intermediate hosts.

PubMed

Kuhn, Thomas; Hailer, Frank; Palm, Harry W; Klimpel, Sven

2013-05-01

Here, we present the ITS ribosomal DNA (rDNA) sequence data on 330 larvae of nematodes of the genus Anisakis Dujardin, 1845 collected from 26 different bony fish species from 21 sampling locations and different climatic zones. New host records are provided for Anisakis simplex (Rudolphi, 1809) sensu stricto (s.s.) and A. pegreffli Campana-Rouget et Biocca, 1955 from Anoplopoma fimbria (Pallas) (Santa Barbara, East Pacific), A. typica (Diesing, 1860) from Caesio cuning (Bloch), Lepturacanthus savala (Cuvier) and Katsuwonus pelamis (Linnaeus) (Indonesia, West Pacific), A. simplex s.s. from Cololabis saira (Brevoort) (Hawaii, Central Pacific), A. simplex C of Nascetti et al. (1986) from Sebastolobus alascanus Bean (Santa Barbara, East Pacific) and A. physeteris Baylis, 1923 from Synaphobranchus kaupii Johnson (Namibia, East Atlantic). Comparison with host records from 60 previous molecular studies of Anisakis species reveals the teleost host range so far recorded for the genus. Perciform (57 species) and gadiform (21) fishes were the most frequently infected orders, followed by pleuronectiforms (15) and scorpaeniforms (15). Most commonly infected fish families were Scombridae (12), Gadidae (10), Carangidae (8) and Clupeidae (7), with Merluccius merluccius (Linnaeus) alone harbouring eight Anisakis species. Different intermediate host compositions implicate differing life cycles for the so far molecularly identified Anisakis sibling species.

High Order Modulation Protograph Codes

NASA Technical Reports Server (NTRS)

Nguyen, Thuy V. (Inventor); Nosratinia, Aria (Inventor); Divsalar, Dariush (Inventor)

2014-01-01

Digital communication coding methods for designing protograph-based bit-interleaved code modulation that is general and applies to any modulation. The general coding framework can support not only multiple rates but also adaptive modulation. The method is a two stage lifting approach. In the first stage, an original protograph is lifted to a slightly larger intermediate protograph. The intermediate protograph is then lifted via a circulant matrix to the expected codeword length to form a protograph-based low-density parity-check code.

Explaining intermediate filament accumulation in giant axonal neuropathy

PubMed Central

Opal, Puneet; Goldman, Robert D.

2013-01-01

Giant axonal neuropathy (GAN)1 is a rare autosomal recessive neurological disorder caused by mutations in the GAN gene that encodes gigaxonin, a member of the BTB/Kelch family of E3 ligase adaptor proteins.1 This disease is characterized by the aggregation of Intermediate Filaments (IF)—cytoskeletal elements that play important roles in cell physiology including the regulation of cell shape, motility, mechanics and intra-cellular signaling. Although a range of cell types are affected in GAN, neurons display the most severe pathology, with neuronal intermediate filament accumulation and aggregation; this in turn causes axonal swellings or “giant axons.” A mechanistic understanding of GAN IF pathology has eluded researchers for many years. In a recent study1 we demonstrate that the normal function of gigaxonin is to regulate the degradation of IF proteins via the proteasome. Our findings present the first direct link between GAN mutations and IF pathology; moreover, given the importance of IF aggregations in a wide range of disease conditions, our findings could have wider ramifications. PMID:25003002

Glutamatergic drive along the septo-temporal axis of hippocampus boosts prelimbic oscillations in the neonatal mouse

PubMed Central

Ahlbeck, Joachim; Song, Lingzhen; Chini, Mattia; Bitzenhofer, Sebastian H

2018-01-01

The long-range coupling within prefrontal-hippocampal networks that account for cognitive performance emerges early in life. The discontinuous hippocampal theta bursts have been proposed to drive the generation of neonatal prefrontal oscillations, yet the cellular substrate of these early interactions is still unresolved. Here, we selectively target optogenetic manipulation of glutamatergic projection neurons in the CA1 area of either dorsal or intermediate/ventral hippocampus at neonatal age to elucidate their contribution to the emergence of prefrontal oscillatory entrainment. We show that despite stronger theta and ripples power in dorsal hippocampus, the prefrontal cortex is mainly coupled with intermediate/ventral hippocampus by phase-locking of neuronal firing via dense direct axonal projections. Theta band-confined activation by light of pyramidal neurons in intermediate/ventral but not dorsal CA1 that were transfected by in utero electroporation with high-efficiency channelrhodopsin boosts prefrontal oscillations. Our data causally elucidate the cellular origin of the long-range coupling in the developing brain. PMID:29631696

Isothermal decay studies of intermediate energy levels in quartz.

PubMed

Veronese, I; Giussani, A; Göksu, H Y; Martini, M

2004-05-01

The recent interest in the thermoluminescence of quartz extracted from unfired building materials, such as mortar and concrete for dose reconstruction applications, led to the requirement of an accurate determination of the lifetime of the intermediate glow peaks in this mineral. The prediction of the lifetimes of these peaks is helpful in establishing the likely time range within which retrospective measurements can be carried out. These peaks, corresponding to intermediate energy levels, occur in the glow curve in the temperature range 150-250 degrees C (heating rate 2 degrees C/s). Lifetimes of 720+/-70 days and 580+/-70 years (at a temperature of 15 degrees C) were derived for the two main peaks placed in the glow curve at approximately 150 degrees C and 200 degrees C, respectively, using the isothermal decay technique. These results as well as the estimated values of the trap parameters (thermal activation energy and frequency factor) have been compared with the data already available in the literature.

Compound hydraulic shear-modulated vortex amplifiers

NASA Technical Reports Server (NTRS)

Goldschmied, F. R.

1977-01-01

A novel two-stage shear-modulated hydraulic vortex amplifier (U.S. patent 3,520,317) has been fabricated and put through preliminary steady-state testing at the 1000 psi supply pressure level with flows up to 15 gpm. The invention comprises a conventional fluidic vortex power stage and a shear-modulated pilot stage. In the absence of any mechanical moving parts, water may be used as the hydraulic medium thus opening the way to many underseas applications. At blocked load, a control input from 0 to 150 psi was required to achieve an output from 0 to 900 psi; at wide-open load, a control input of 0 to 120 psi was needed to achieve an output from 0 to 15 gpm. The power stage has been found unsuitable for the proportional control mode because of its nonlinear performance in the intermediate load range and because of strong pressure fluctuations (plus or minus 150 psi) in the intermediate control range. The addition of the shear-modulated pilot stage improves intermediate load linearity.

Distinguishing the rates of gene activation from phenotypic variations.

PubMed

Chen, Ye; Lv, Cheng; Li, Fangting; Li, Tiejun

2015-06-18

Stochastic genetic switching driven by intrinsic noise is an important process in gene expression. When the rates of gene activation/inactivation are relatively slow, fast, or medium compared with the synthesis/degradation rates of mRNAs and proteins, the variability of protein and mRNA levels may exhibit very different dynamical patterns. It is desirable to provide a systematic approach to identify their key dynamical features in different regimes, aiming at distinguishing which regime a considered gene regulatory network is in from their phenotypic variations. We studied a gene expression model with positive feedbacks when genetic switching rates vary over a wide range. With the goal of providing a method to distinguish the regime of the switching rates, we first focus on understanding the essential dynamics of gene expression system in different cases. In the regime of slow switching rates, we found that the effective dynamics can be reduced to independent evolutions on two separate layers corresponding to gene activation and inactivation states, and the transitions between two layers are rare events, after which the system goes mainly along deterministic ODE trajectories on a particular layer to reach new steady states. The energy landscape in this regime can be well approximated by using Gaussian mixture model. In the regime of intermediate switching rates, we analyzed the mean switching time to investigate the stability of the system in different parameter ranges. We also discussed the case of fast switching rates from the viewpoint of transition state theory. Based on the obtained results, we made a proposal to distinguish these three regimes in a simulation experiment. We identified the intermediate regime from the fact that the strength of cellular memory is lower than the other two cases, and the fast and slow regimes can be distinguished by their different perturbation-response behavior with respect to the switching rates perturbations. We proposed a simulation experiment to distinguish the slow, intermediate and fast regimes, which is the main point of our paper. In order to achieve this goal, we systematically studied the essential dynamics of gene expression system when the switching rates are in different regimes. Our theoretical understanding provides new insights on the gene expression experiments.

IRAS 23385 & 6053: A Prototype Massive Class O Object

NASA Technical Reports Server (NTRS)

Molinari, S.; Testi, L.; Brand, J.; Cesaroni, R.; Palla, F.

1998-01-01

The last few years have seen a rapid growth in observations aimed at identifying intermediate and high-mass star forming sites in a wide range of evolutionary stages ranging from Hot Cores to ultracompact regions, to proto-Ae/Be stars.

Bioaccumulation of metals in the soft tissue of Patella aspera: Application of metal/shell weight indices

NASA Astrophysics Data System (ADS)

Cravo, A.; Bebianno, M. J.

2005-11-01

Patella aspera limpets were taken from a marine clean site (MCS) and an estuarine contaminated site (ECS). The concentrations of Fe, Mn, Zn, Cu, Cd, Ni and Co were determined individually over the available size range. Since there were significant differences in the soft tissue weight between populations, but shell characteristics were similar (length and weight), metal/shell weight indices (MSI) were calculated in order to compare populations. For both populations iron, zinc and manganese/shell weight indices were consistently higher, in the order Fe ≫ Zn ≫ Mn than those of Cu, Ni, Co and Cd. The results exhibited a marked intra- and inter-population variability. The highest intra-variability was observed at ECS, particularly where a strong effect of shell weight upon the metal accumulation in the soft tissue was evident. Due to this effect, the comparison of populations was carried out between three selected shell weight ranges representative of light shells (0.45-1.95 g), intermediate shells (2.95-4.45 g) and heavy shells (5.45-7.33 g). The results indicate that, in general, MSI at ECS (a sewage contaminated site), except for Cd, was higher than at MCS possibly reflecting a higher environmental bioavailability of these metals. The resolution between populations was higher when the smallest range of limpets was considered and it decreased with the increase of shell weight. The highest discrimination amongst populations was found for zinc/shell weight index that showed much higher values than those of Mn, Cu, Cd, Ni and Co/shell weight indices, and spatial differentiation between populations persisted amongst the selected shell weight ranges.

Quantitative analysis of autophagic flux by confocal pH-imaging of autophagic intermediates

PubMed Central

Maulucci, Giuseppe; Chiarpotto, Michela; Papi, Massimiliano; Samengo, Daniela; Pani, Giovambattista; De Spirito, Marco

2015-01-01

Although numerous techniques have been developed to monitor autophagy and to probe its cellular functions, these methods cannot evaluate in sufficient detail the autophagy process, and suffer limitations from complex experimental setups and/or systematic errors. Here we developed a method to image, contextually, the number and pH of autophagic intermediates by using the probe mRFP-GFP-LC3B as a ratiometric pH sensor. This information is expressed functionally by AIPD, the pH distribution of the number of autophagic intermediates per cell. AIPD analysis reveals how intermediates are characterized by a continuous pH distribution, in the range 4.5–6.5, and therefore can be described by a more complex set of states rather than the usual biphasic one (autophagosomes and autolysosomes). AIPD shape and amplitude are sensitive to alterations in the autophagy pathway induced by drugs or environmental states, and allow a quantitative estimation of autophagic flux by retrieving the concentrations of autophagic intermediates. PMID:26506895

Generalized thickness and configuration of the top of the intermediate aquifer, west-central Florida

USGS Publications Warehouse

Corral, Miguel A.; Wolansky, Richard M.

1984-01-01

Generalized map show the thickness and top of the intermediate aquifer in west-central Florida within the boundaries of the Southwest Florida Water Management District. The intermediate aquifer consists of a series of water-bearing units and confining beds between the surficial aquifer (water table) and the Floridan aquifer. This aquifer contains from one to several water-bearing units in west-central Florida. The aquifer and confining beds consist of the Tamiami and Hawthorn Formations of late and middle Miocene age and parts of the Tampa Limestone of early Miocene age. The top of the intermediate aquifer is about 100 feet above sea level in the north and slopes to about 100 feet below sea level in the south. The thickness ranges from zero in the north to more than 600 feet in the south. Despite the high mineral content of the water in some areas, the intermediate aquifer offers the best source of ground water to the coastal and southern areas of west-central Florida. (USGS)

Surface nematic order in iron pnictides

DOE PAGES

Song, Kok Wee; Koshelev, Alexei E.

2016-09-09

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. In addition, we found that themore » interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. Lastly, the intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe 2As 2-xP x .« less

The oligocene Lund Tuff, Great Basin, USA: A very large volume monotonous intermediate

USGS Publications Warehouse

Maughan, L.L.; Christiansen, E.H.; Best, M.G.; Gromme, C.S.; Deino, A.L.; Tingey, D.G.

2002-01-01

Unusual monotonous intermediate ignimbrites consist of phenocryst-rich dacite that occurs as very large volume (> 1000 km3) deposits that lack systematic compositional zonation, comagmatic rhyolite precursors, and underlying plinian beds. They are distinct from countless, usually smaller volume, zoned rhyolite-dacite-andesite deposits that are conventionally believed to have erupted from magma chambers in which thermal and compositional gradients were established because of sidewall crystallization and associated convective fractionation. Despite their great volume, or because of it, monotonous intermediates have received little attention. Documentation of the stratigraphy, composition, and geologic setting of the Lund Tuff - one of four monotonous intermediate tuffs in the middle-Tertiary Great Basin ignimbrite province - provides insight into its unusual origin and, by implication, the origin of other similar monotonous intermediates. The Lund Tuff is a single cooling unit with normal magnetic polarity whose volume likely exceeded 3000 km3. It was emplaced 29.02 ?? 0.04 Ma in and around the coeval White Rock caldera which has an unextended north-south diameter of about 50 km. The tuff is monotonous in that its phenocryst assemblage is virtually uniform throughout the deposit: plagioclase > quartz ??? hornblende > biotite > Fe-Ti oxides ??? sanidine > titanite, zircon, and apatite. However, ratios of phenocrysts vary by as much as an order of magnitude in a manner consistent with progressive crystallization in the pre-eruption chamber. A significant range in whole-rock chemical composition (e.g., 63-71 wt% SiO2) is poorly correlated with phenocryst abundance. These compositional attributes cannot have been caused wholly by winnowing of glass from phenocrysts during eruption, as has been suggested for the monotonous intermediate Fish Canyon Tuff. Pumice fragments are also crystal-rich, and chemically and mineralogically indistinguishable from bulk tuff. We postulate that convective mixing in a sill-like magma chamber precluded development of a zoned chamber with a rhyolitic top or of a zoned pyroclastic deposit. Chemical variations in the Lund Tuff are consistent with equilibrium crystallization of a parental dacitic magma followed by eruptive mixing of compositionally diverse crystals and high-silica rhyolite vitroclasts during evacuation and emplacement. This model contrasts with the more systematic withdrawal from a bottle-shaped chamber in which sidewall crystallization creates a marked vertical compositional gradient and a substantial volume of capping-evolved rhyolite magma. Eruption at exceptionally high discharge rates precluded development of an underlying plinian deposit. The generation of the monotonous intermediate Lund magma and others like it in the middle Tertiary of the western USA reflects an unusually high flux of mantle-derived mafic magma into unusually thick and warm crust above a subducting slab of oceanic lithosphere. ?? 2002 Elsevier Science B.V. All rights reserved.

Diluted thrombin time reliably measures low to intermediate plasma dabigatran concentrations.

PubMed

Božič-Mijovski, Mojca; Malmström, Rickard E; Malovrh, Petra; Antovic, Jovan P; Vene, Nina; Šinigoj, Petra; Mavri, Alenka

2016-07-01

Direct oral anticoagulant dabigatran was first introduced as a fixed-dose drug without routine coagulation monitoring, but current recommendations suggest that diluted thrombin time can be used to estimate plasma drug level. The aim of this study was to assess a diluted thrombin time assay based on the same thrombin reagent already used for traditional thrombin time measurements that reliably measure low to intermediate plasma dabigatran levels. We included 44 patients with atrial fibrillation who started treatment with dabigatran 150 mg (23 patients) or 110 mg (21 patients) twice a day. Blood samples were collected at baseline (no dabigatran) and 2-4 weeks after the beginning of dabigatran therapy at trough and at peak. Plasma dabigatran levels were measured with diluted thrombin time and compared to liquid chromatography with tandem mass spectrometry as the reference method. The performance of the diluted thrombin time was compared to Hemoclot® Thrombin Inhibitor and Ecarin Chromogenic Assay. In ex vivo plasma samples, diluted thrombin time highly correlated with the liquid chromatography with tandem mass spectrometry (Pearson's R = 0.9799). In the low to intermediate range (dabigatran concentration ≤ 100 µg/L) diluted thrombin time correlated significantly more closely to the liquid chromatography with tandem mass spectrometry (R = 0.964) than Hemoclot® Thrombin Inhibitor (R = 0.935, p = 0.05) or Ecarin Chromogenic Assay (R = 0.915, p < 0.01). It was also the only functional assay without any significant bias in the low to intermediate range. Both trough and peak diluted thrombin time values were similar to liquid chromatography with tandem mass spectrometry. We conclude that the diluted thrombin time assay presented in this study reliably detects dabigatran and that it is superior to the Hemoclot® Thrombin Inhibitor assay in the low to intermediate range. © The Author(s) 2015.

Magnetic fields of intermediate mass T Tauri stars

NASA Astrophysics Data System (ADS)

Lavail, A.; Kochukhov, O.; Hussain, G. A. J.; Alecian, E.; Herczeg, G. J.; Johns-Krull, C.

2017-12-01

Aims: In this paper, we aim to measure the strength of the surface magnetic fields for a sample of five intermediate mass T Tauri stars and one low mass T Tauri star from late-F to mid-K spectral types. While magnetic fields of T Tauri stars at the low mass range have been extensively characterized, our work complements previous studies towards the intermediate mass range; this complementary study is key to evaluate how magnetic fields evolve during the transition from a convective to a radiative core. Methods: We studied the Zeeman broadening of magnetically sensitive spectral lines in the H-band spectra obtained with the CRIRES high-resolution near-infrared spectrometer. These data are modelled using magnetic spectral synthesis and model atmospheres. Additional constraints on non-magnetic line broadening mechanisms are obtained from modelling molecular lines in the K band or atomic lines in the optical wavelength region. Results: We detect and measure mean surface magnetic fields for five of the six stars in our sample: CHXR 28, COUP 107, V2062 Oph, V1149 Sco, and Par 2441. Magnetic field strengths inferred from the most magnetically sensitive diagnostic line range from 0.8 to 1.8 kG. We also estimate a magnetic field strength of 1.9 kG for COUP 107 from an alternative diagnostic. The magnetic field on YLW 19 is the weakest in our sample and is marginally detected, with a strength of 0.8 kG. Conclusions: We populate an uncharted area of the pre-main-sequence HR diagram with mean magnetic field measurements from high-resolution near-infrared spectra. Our sample of intermediate mass T Tauri stars in general exhibits weaker magnetic fields than their lower mass counterparts. Our measurements will be used in combination with other spectropolarimetric studies of intermediate mass and lower mass T Tauri stars to provide input into pre-main-sequence stellar evolutionary models.

Large-scale determinants of intestinal schistosomiasis and intermediate host snail distribution across Africa: does climate matter?

PubMed

Stensgaard, Anna-Sofie; Utzinger, Jürg; Vounatsou, Penelope; Hürlimann, Eveline; Schur, Nadine; Saarnak, Christopher F L; Simoonga, Christopher; Mubita, Patricia; Kabatereine, Narcis B; Tchuem Tchuenté, Louis-Albert; Rahbek, Carsten; Kristensen, Thomas K

2013-11-01

The geographical ranges of most species, including many infectious disease agents and their vectors and intermediate hosts, are assumed to be constrained by climatic tolerances, mainly temperature. It has been suggested that global warming will cause an expansion of the areas potentially suitable for infectious disease transmission. However, the transmission of infectious diseases is governed by a myriad of ecological, economic, evolutionary and social factors. Hence, a deeper understanding of the total disease system (pathogens, vectors and hosts) and its drivers is important for predicting responses to climate change. Here, we combine a growing degree day model for Schistosoma mansoni with species distribution models for the intermediate host snail (Biomphalaria spp.) to investigate large-scale environmental determinants of the distribution of the African S. mansoni-Biomphalaria system and potential impacts of climatic changes. Snail species distribution models included several combinations of climatic and habitat-related predictors; the latter divided into "natural" and "human-impacted" habitat variables to measure anthropogenic influence. The predictive performance of the combined snail-parasite model was evaluated against a comprehensive compilation of historical S. mansoni parasitological survey records, and then examined for two climate change scenarios of increasing severity for 2080. Future projections indicate that while the potential S. mansoni transmission area expands, the snail ranges are more likely to contract and/or move into cooler areas in the south and east. Importantly, we also note that even though climate per se matters, the impact of humans on habitat play a crucial role in determining the distribution of the intermediate host snails in Africa. Thus, a future contraction in the geographical range size of the intermediate host snails caused by climatic changes does not necessarily translate into a decrease or zero-sum change in human schistosomiasis prevalence. Copyright © 2011 Elsevier B.V. All rights reserved.

Reaction of tris(bipyridine)ruthenium(III) with hydroxide and its application in a solar energy storage system

PubMed Central

Creutz, Carol; Sutin, Norman

1975-01-01

Irradiation of Ru(bipy)32+ (bipy = 2,2′-bipyridine) with light below 560 nm results in the formation of a charge-transfer excited state potentially capable of reducing water to dihydrogen with concomitant production of Ru(bipy)33+. The latter may be reduced by hydroxide [Formula: see text] to form dioxygen and regenerate the starting complex. The use of these reactions in a cell designed to bring about the photochemical decomposition of water is proposed. The stoichiometry, kinetics, and mechanism of the Ru(bipy)33+-hydroxide reaction have been investigated by conventional and stopped-flow spectrophotometry. The dioxygen yield is a sharp function of pH, attaining its maximum value (about 80%) at pH 9. At low pH (3 and 4.8) the production of ruthenium(II) is first order with kobsd = (1.41 ± 0.04) × 10-4 sec-1 (25°, ionic strength μ = 1.00 M with sodium sulfate). In the intermediate pH range (7.9-10.0) complex kinetics are observed. In the hydroxide range 0.01-0.50 M, ruthenium(II) production is predominantly first order with kobsd = ka[OH-] + kb[OH-]2 sec-1; ka = 148 M-1 sec-1 and kb = 138 M-2 sec-1 (25°, μ = 1.00 M, sodium sulfate). For the ka term, the activation parameters are ΔH‡ = 15.3 ± 1.0 kcal mol-1 and ΔS‡ = 7 ± 3 cal deg-1 mol-1 (1 cal = 4.184 J). An intermediate species (λmax 800 nm) forms at the same rate as ruthenium(II) in this hydroxide range. It disappears with kobsd = 1.2 + 1.1 × 102 [OH-] sec-1 at 25°. Similarly absorbing (λmax 750 to 800 nm) species are generated by the addition of hydroxyl radical to M(bipy)32+/3+ [M = Fe(II), Os(II), Ru(II), Cr(III), Ru(III)] in pulse radiolysis experiments. The kinetics above pH 7 are described in terms of rate-determining nucleophilic attack by hydroxide on the bound bipyridine ring. The hydroxide adduct so generated is tentatively identified with that observed in the pulse radiolysis experiments with Ru(bipy)32+. For reduction of Ru(bipy)33+ by hydrogen peroxide ruthenium(II) production is first order with kobsd = kc[HO2-] + kd[H2O2] where kc = 5.4 × 107 M-1 sec-1 and kd = 8.3 M-1 sec-1 (25°, μ = 1.00 M, pH 3.5 to 9.7). This reaction produces dioxygen in 83 ± 15% yield at pH 6.8 and in 1.0 N sulfuric acid. PMID:16592265

Catalytic Cyclization of o-Alkynyl Phenethylamines via Osmacyclopropene Intermediates: Direct Access to Dopaminergic 3-Benzazepines.

PubMed

Álvarez-Pérez, Andrea; González-Rodríguez, Carlos; García-Yebra, Cristina; Varela, Jesús A; Oñate, Enrique; Esteruelas, Miguel A; Saá, Carlos

2015-11-02

A novel osmium-catalyzed cyclization of o-alkynyl phenethylamines to give 3-benzazepines is reported. The procedure allows the straightforward preparation of a broad range of dopaminergic 3-benzazepine derivatives. Mechanistic investigations revealed that the process takes place via osmacyclopropene intermediates, which were isolated and characterized by X-ray crystallography. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Using Massive Star Clusters in Merger Remnants To Provide Reference Colors of Intermediate-Age Stellar Populations

NASA Astrophysics Data System (ADS)

Goudfrooij, Paul

2009-07-01

Much current research in cosmology and galaxy formation relies on an accurate interpretation of colors of galaxies in terms of their evolutionary state, i.e., in terms of ages and metallicities. One particularly important topic is the ability to identify early-type galaxies at "intermediate" ages { 500 Myr - 5 Gyr}, i.e., the period between the end of star formation and half the age of the universe. Currently, integrated-light studies must rely on population synthesis models which rest upon spectral libraries of stars in the solar neighborhood. These models have a difficult time correctly incorporating short-lived evolutionary phases such as thermally pulsing AGB stars, which produce up to 80% of the flux in the near-IR in this age range. Furthermore, intermediate-age star clusters in the Local Group do not represent proper templates against which to calibrate population synthesis models in this age range, because their masses are too low to render the effect of stochastic fluctuations due to the number of bright RGB and AGB stars negligible. As a consequence, current population synthesis models have trouble reconciling the evolutionary state of high-redshift galaxies from optical versus near-IR colors. We propose a simple and effective solution to this issue, namely obtaining high-quality EMPIRICAL colors of massive globular clusters in galaxy merger remnants which span this important age range. These colors should serve as relevant references, both to identify intermediate-age objects in the local and distant universe and as calibrators for population synthesis modellers.

Photo-Darkening Kinetics and Structural Anisotropic Modifications in the Chalcogenide Glass Arsenic Trisulfide: a Study of Kinetic X-Ray Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Jay Min

1990-08-01

The purpose of the study is to investigate the mechanisms involved with photo-induced atomic structural modifications in the chalcogenide glass As_2 S_3. This glass exhibits the reversible effects of photo-darkening followed by thermal bleaching. We observed the time behavior of photo-induced properties under the influence of linearly polarized band -gap light. In a macroscopic optical investigation, we monitor optical changes in the photo-darkening process, and in a local structural probe we study kinetic (or time -resolved dispersive) x-ray absorption spectroscopy. Our observations center on kinetic phenomena and structural modifications induced by polarized excitation of lone-pair orbitals in the chalcogenide glass. Experimental results include the following observations: (i) The polarity of the optically induced anisotropy is critically dependent on the intensity and the polarization of the band-gap irradiation beam. (ii) The near edge peak height in x-ray absorption spectra shows subtle but sensitive change during the photo-darkening process. (iii) Photon intensity dependent dichroic kinetics reflect a connection between the optically probed macroscopic property and the x-ray probed local anisotropic structure. Analysis of the x-ray absorption results includes a computer simulation of the polarized absorption spectra. These results suggest that specific structural units tend to orient themselves with respect to the photon polarization. A substantial part of the analysis involves a major effort in dealing with the x-ray kinetic data manipulation and the experimental difficulties caused by a synchrotron instability problem. Based on our observations, we propose a possible mechanism for the observed photo-structural modifications. Through a model of computer relaxed photo-darkening kinetics, we support the notion that a twisting of a specific intermediate range order structure is responsible for local directional variations and global network distortions. In the course of this study, we refine knowledge of intermediate range order structural configurations and the bistabilities related to these configurations. The importance of the lone-pair orbital interactions in the chalcogenide glassy network is underscored.

Intermediate term follow-up of calcaneal osteotomy and flexor digitorum longus transfer for treatment of posterior tibial tendon dysfunction.

PubMed

Fayazi, Amir H; Nguyen, Hoan-Vu; Juliano, Paul J

2002-12-01

Twenty-three patients with stage II posterior tibial tendon dysfunction who had failed non-surgical therapy were treated with flexor digitorum longus transfer and calcaneal osteotomy. At latest follow-up averaging 35 +/- 7 months (range, 24 to 51 months), 22 patients (96%) were subjectively "better" or "much better." No patient had difficulty with shoe wear; however, four patients (17%) required routine orthotic use consisting of a molded shoe insert. AOFAS scores were available on 21 patients and improved from a preoperative mean of 50 +/- 14 (range, 27 to 85) to a postoperative mean of 89 +/- 10 (range, 70 to 100). Our experience, at an intermediate date follow-up is that calcaneal osteotomy and flexor digitorum longus transfer is a safe and effective form of treatment for stage II posterior tibial tendon dysfunction.

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

Galavis, P; Friedman, K; Chandarana, H

Purpose: Radiomics involves the extraction of texture features from different imaging modalities with the purpose of developing models to predict patient treatment outcomes. The purpose of this study is to investigate texture feature reproducibility across [18F]FDG PET/CT and [18F]FDG PET/MR imaging in patients with primary malignancies. Methods: Twenty five prospective patients with solid tumors underwent clinical [18F]FDG PET/CT scan followed by [18F]FDG PET/MR scans. In all patients the lesions were identified using nuclear medicine reports. The images were co-registered and segmented using an in-house auto-segmentation method. Fifty features, based on the intensity histogram, second and high order matrices, were extractedmore » from the segmented regions from both image data sets. One-way random-effects ANOVA model of the intra-class correlation coefficient (ICC) was used to establish texture feature correlations between both data sets. Results: Fifty features were classified based on their ICC values, which were found in the range from 0.1 to 0.86, in three categories: high, intermediate, and low. Ten features extracted from second and high-order matrices showed large ICC ≥ 0.70. Seventeen features presented intermediate 0.5 ≤ ICC ≤ 0.65 and the remaining twenty three presented low ICC ≤ 0.45. Conclusion: Features with large ICC values could be reliable candidates for quantification as they lead to similar results from both imaging modalities. Features with small ICC indicates a lack of correlation. Therefore, the use of these features as a quantitative measure will lead to different assessments of the same lesion depending on the imaging modality from where they are extracted. This study shows the importance of the need for further investigation and standardization of features across multiple imaging modalities.« less

Correlation of visual performance with quality of life and intraocular aberrometric profile in patients implanted with rotationally asymmetric multifocal IOLs.

PubMed

Ramón, María L; Piñero, David P; Pérez-Cambrodí, Rafael J

2012-02-01

To examine the visual performance of a rotationally asymmetric multifocal intraocular lens (IOL) by correlating the defocus curve of the IOL-implanted eye with the intraocular aberrometric profile and impact on the quality of life. A prospective, consecutive, case series study including 26 eyes from 13 patients aged between 50 and 83 years (mean: 65.54±7.59 years) was conducted. All patients underwent bilateral cataract surgery with implantation of a rotationally asymmetric multifocal IOL (Lentis Mplus LS-312 MF30, Oculentis GmbH). Distance and near visual acuity outcomes, intraocular aberrations, defocus curve, and quality of life (assessed using the National Eye Institute Visual Functioning Questionnaire-25) were evaluated postoperatively (mean follow-up: 6.42±2.24 months). A significant improvement in distance visual acuity was found postoperatively (P<.01). Mean postoperative logMAR distance-corrected near visual acuity was 0.19±0.12 (∼20/30). Corrected distance visual acuity and near visual acuity of 20/20 or better were achieved by 30.8% and 7.7% of eyes, respectively. Of all eyes, 96.2% had a postoperative addition between 0 and 1.00 diopter (D). The defocus curve showed two peaks of maximum visual acuity (0 and 3.00 D of defocus), with an acceptable range of intermediate vision. LogMAR visual acuity corresponding to near defocus was directly correlated with some higher order intraocular aberrations (r⩾0.44, P⩽.04). Some difficulties evaluated with the quality of life test correlated directly with near and intermediate visual acuity (r⩾0.50, P⩽.01). The Lentis Mplus multifocal IOL provides good distance, intermediate, and near visual outcomes; however, the induced intraocular aberrometric profile may limit the potential visual benefit. Copyright 2012, SLACK Incorporated.

Concise CIO based precession-nutation formulations

NASA Astrophysics Data System (ADS)

Capitaine, N.; Wallace, P. T.

2008-01-01

Context: The IAU 2000/2006 precession-nutation models have precision goals measured in microarcseconds. To reach this level of performance has required series containing terms at over 1300 frequencies and involving several thousand amplitude coefficients. There are many astronomical applications for which such precision is not required and the associated heavy computations are wasteful. This justifies developing smaller models that achieve adequate precision with greatly reduced computing costs. Aims: We discuss strategies for developing simplified IAU 2000/2006 precession-nutation procedures that offer a range of compromises between accuracy and computing costs. Methods: The chain of transformations linking celestial and terrestrial coordinates comprises frame bias, precession-nutation, Earth rotation and polar motion. We address the bias and precession-nutation (NPB) portion of the chain, linking the Geocentric Celestial Reference System (GCRS) with the Celestial Intermediate Reference System (CIRS), the latter based on the Celestial Intermediate Pole (CIP) and Celestial Intermediate Origin (CIO). Starting from direct series that deliver the CIP coordinates X,Y and (via the quantity s + XY/2) the CIO locator s, we look at the opportunities for simplification. Results: The biggest reductions come from truncating the series, but some additional gains can be made in the areas of the matrix formulation, the expressions for the nutation arguments and by subsuming long period effects into the bias quantities. Three example models are demonstrated that approximate the IAU 2000/2006 CIP to accuracies of 1 mas, 16 mas and 0.4 arcsec throughout 1995-2050 but with computation costs reduced by 1, 2 and 3 orders of magnitude compared with the full model. Appendices A to G are only available in electronic form at http://www.aanda.org

Faulting of natural serpentinite: Implications for intermediate-depth seismicity

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

Gasc, Julien; Hilairet, Nadège; Yu, Tony

The seismic potential of serpentinites at high pressure was investigated via deformation experiments on cored natural serpentinite samples, during which micro-seismicity was monitored by recording Acoustic Emissions (AEs). Deformation was performed at pressures of 3–5 GPa, using a Deformation-DIA device, and over a wide range of temperatures, both within and outside antigorite's stability field. Below 400 °C, serpentinite deformation involves “silent” semi-brittle mechanisms, even in cases where strain localization is observed. At high temperature (i.e., above 600 °C), despite conditions propitious to dehydration embrittlement (i.e., fast strain rates and reaction kinetics), joint deformation and dehydration lead to ductile shear, withoutmore » generation of AEs. Brittle behavior was observed in a narrow temperature window ca. 500 °C. In this latter case, AEs are consistently observed upon faulting and extremely sharp strain localization is observed in recovered samples. The resulting microstructures are consistent with the inverse ductile-to-brittle transition proposed by Proctor and Hirth (2016) in antigorite. This may therefore be a source of seismicity in subducting slabs at mantle pressures and temperatures from 500 to 600 °C. However, the acoustic signal observed here is orders of magnitude weaker than what is obtained at low PT conditions with brittle failure, consistently with low radiation efficiency of serpentinite faulting (Prieto et al., 2013) and suggests that other mechanisms are responsible for large intermediate-depth earthquakes. In fact, the present results are in line with a recent study (Ferrand et al., 2017), that suggests that intermediate earthquakes are likely induced by mechanical instabilities due to dehydration in partly hydrated peridotites.« less

Intermediate honeycomb ordering to trigger oxygen redox chemistry in layered battery electrode

PubMed Central

Mortemard de Boisse, Benoit; Liu, Guandong; Ma, Jiangtao; Nishimura, Shin-ichi; Chung, Sai-Cheong; Kiuchi, Hisao; Harada, Yoshihisa; Kikkawa, Jun; Kobayashi, Yoshio; Okubo, Masashi; Yamada, Atsuo

2016-01-01

Sodium-ion batteries are attractive energy storage media owing to the abundance of sodium, but the low capacities of available cathode materials make them impractical. Sodium-excess metal oxides Na2MO3 (M: transition metal) are appealing cathode materials that may realize large capacities through additional oxygen redox reaction. However, the general strategies for enhancing the capacity of Na2MO3 are poorly established. Here using two polymorphs of Na2RuO3, we demonstrate the critical role of honeycomb-type cation ordering in Na2MO3. Ordered Na2RuO3 with honeycomb-ordered [Na1/3Ru2/3]O2 slabs delivers a capacity of 180 mAh g−1 (1.3-electron reaction), whereas disordered Na2RuO3 only delivers 135 mAh g−1 (1.0-electron reaction). We clarify that the large extra capacity of ordered Na2RuO3 is enabled by a spontaneously ordered intermediate Na1RuO3 phase with ilmenite O1 structure, which induces frontier orbital reorganization to trigger the oxygen redox reaction, unveiling a general requisite for the stable oxygen redox reaction in high-capacity Na2MO3 cathodes. PMID:27088834

Amorphous calcium carbonate controls avian eggshell mineralization: A new paradigm for understanding rapid eggshell calcification.

PubMed

Rodríguez-Navarro, Alejandro B; Marie, Pauline; Nys, Yves; Hincke, Maxwell T; Gautron, Joel

2015-06-01

Avian eggshell mineralization is the fastest biogenic calcification process known in nature. How this is achieved while producing a highly crystalline material composed of large calcite columnar single crystals remains largely unknown. Here we report that eggshell mineral originates from the accumulation of flat disk-shaped amorphous calcium carbonate (ACC) particles on specific organic sites on the eggshell membrane, which are rich in proteins and sulfated proteoglycans. These structures known as mammillary cores promote the nucleation and stabilization of a amorphous calcium carbonate with calcitic short range order which predetermine the calcite composition of the mature eggshell. The amorphous nature of the precursor phase was confirmed by the diffuse scattering of X-rays and electrons. The nascent calcitic short-range order of this transient mineral phase was revealed by infrared spectroscopy and HRTEM. The ACC mineral deposited around the mammillary core sites progressively transforms directly into calcite crystals without the occurrence of any intermediate phase. Ionic speciation data suggest that the uterine fluid is equilibrated with amorphous calcium carbonate, throughout the duration of eggshell mineralization process, supporting that this mineral phase is constantly forming at the shell mineralization front. On the other hand, the transient amorphous calcium carbonate mineral deposits, as well as the calcite crystals into which they are converted, form by the ordered aggregation of nanoparticles that support the rapid mineralization of the eggshell. The results of this study alter our current understanding of avian eggshell calcification and provide new insights into the genesis and formation of calcium carbonate biominerals in vertebrates. Copyright © 2015 Elsevier Inc. All rights reserved.

Optimal symmetric flight with an intermediate vehicle model

NASA Technical Reports Server (NTRS)

Menon, P. K. A.; Kelley, H. J.; Cliff, E. M.

1983-01-01

Optimal flight in the vertical plane with a vehicle model intermediate in complexity between the point-mass and energy models is studied. Flight-path angle takes on the role of a control variable. Range-open problems feature subarcs of vertical flight and singular subarcs. The class of altitude-speed-range-time optimization problems with fuel expenditure unspecified is investigated and some interesting phenomena uncovered. The maximum-lift-to-drag glide appears as part of the family, final-time-open, with appropriate initial and terminal transient exceeding level-flight drag, some members exhibiting oscillations. Oscillatory paths generally fail the Jacobi test for durations exceeding a period and furnish a minimum only for short-duration problems.

Field-induced exciton condensation in LaCoO3

PubMed Central

Sotnikov, A.; Kuneš, J.

2016-01-01

Motivated by recent observation of magnetic field induced transition in LaCoO3 we study the effect of external field in systems close to instabilities towards spin-state ordering and exciton condensation. We show that, while in both cases the transition can be induced by an external field, temperature dependencies of the critical field have opposite slopes. Based on this result we argue that the experimental observations select the exciton condensation scenario. We show that such condensation is possible due to high mobility of the intermediate spin excitations. The estimated width of the corresponding dispersion is large enough to overrule the order of atomic multiplets and to make the intermediate spin excitation propagating with a specific wave vector the lowest excitation of the system. PMID:27461512

Summer 2015 measurements of total OH reactivity at a UK coastal site

NASA Astrophysics Data System (ADS)

Woodward-Massey, R.; Cryer, D. R.; Whalley, L. K.; Ingham, T.; Crilley, L.; Kramer, L. J.; Reeves, C.; Forster, G.; Oram, D.; Bandy, B.; Reed, C.; Lee, J. D.; Bloss, W.; Heard, D. E.

2015-12-01

The hydroxyl radical (OH) plays a central role in the day time oxidative removal of pollutants and greenhouse gases in the atmosphere. It is essential that all production and loss pathways of OH are understood and included in computer models in order to accurately predict OH concentrations for a range of environments, and in turn the rate of production of secondary products, for example ozone and organic aerosol. Direct measurement of total OH reactivity, the pseudo first order rate coefficient for OH loss by reaction with its sinks, is a very useful tool to test how complete our knowledge is of OH loss pathways. Comparison with values of total OH reactivity calculated by computer models using concentrations of simultaneously measured OH 'sinks' and unmeasured intermediates enables environments to be identified where there are unidentified 'missing' OH sinks. Total OH reactivity was measured using the laser flash photolysis combined with time-resolved laser-induced fluorescence technique during the ICOZA (Integrated Chemistry of OZone in the Atmosphere) campaign in July 2015 at the Weybourne Atmospheric Observatory (WAO), Norfolk, UK. Air masses sampled ranged from polluted air from the UK or Europe containing processed urban emissions to very clean air of marine origin. Data for measured and calculated OH reactivity will be presented in addition to a discussion of the magnitude of the 'missing' OH sink determined for each type of air mass.

Spectral multiplexing using stacked volume-phase holographic gratings - I

NASA Astrophysics Data System (ADS)

Zanutta, A.; Landoni, M.; Riva, M.; Bianco, A.

2017-08-01

Many focal-reducer spectrographs, currently available at state-of-the-art telescopes facilities, would benefit from a simple refurbishing that could increase both the resolution and spectral range in order to cope with the progressively challenging scientific requirements, but, in order to make this update appealing, it should minimize the changes in the existing structure of the instrument. In the past, many authors proposed solutions based on stacking subsequently layers of dispersive elements and recording multiple spectra in one shot (multiplexing). Although this idea is promising, it brings several drawbacks and complexities that prevent the straightforward integration of such a device in a spectrograph. Fortunately, nowadays, the situation has changed dramatically, thanks to the successful experience achieved through photopolymeric holographic films, used to fabricate common volume-phase holographic gratings (VPHGs). Thanks to the various advantages made available by these materials in this context, we propose an innovative solution to design a stacked multiplexed VPHG that is able to secure efficiently different spectra in a single shot. This allows us to increase resolution and spectral range enabling astronomers to greatly economize their awarded time at the telescope. In this paper, we demonstrate the applicability of our solution, both in terms of expected performance and feasibility, supposing the upgrade of the Gran Telescopio CANARIAS (GTC) Optical System for Imaging and low-Intermediate-Resolution Integrated Spectroscopy (OSIRIS).

Determination of fast ozone oxidation rate for textile dyes by using a continuous quench-flow system.

PubMed

Gomes, Arlindo C; Nunes, José C; Simões, Rogério M S

2010-06-15

To study the fast kinetic decolourisation of textile dyes by ozone a continuous quench-flow system was used. This system has not been used before for these purposes. Reaction times in the range of 7-3000 ms were explored. The reaction was quenched with potassium iodide, which proved to be very effective, and the indigo method was used to follow the ozone concentration. Dyes from the most representative chemical classes currently used in the textile industry, i.e. azo and anthraquinone, were selected. Using the initial slope method, the effect of dye and ozone concentrations was researched and the kinetic equations thus established. Using tert-butyl alcohol, as radical scavenger, and pH close to 2.5, the second-order rate constant of the reactant dyes at 280 K varies in the range of 1.20x10(4)-7.09x10(5)M(-1)s(-1); the Acid Orange 7 exhibiting thus its lowest value, the Acid Blue 45 its highest value and the Acid Green 25 and 27 and Direct Yellow 4 intermediate values (approximately 1.6x10(5)M(-1)s(-1)). Without radical scavenger and the pH close to 4, the reaction rate increases one order of magnitude, but, on the reverse, the efficiency of ozone to decolourisation decreases. Copyright 2010 Elsevier B.V. All rights reserved.

Structural analysis of zwitterionic liquids vs. homologous ionic liquids

NASA Astrophysics Data System (ADS)

Wu, Boning; Kuroda, Kosuke; Takahashi, Kenji; Castner, Edward W.

2018-05-01

Zwitterionic liquids (Zw-ILs) have been developed that are homologous to monovalent ionic liquids (ILs) and show great promise for controlled dissolution of cellulosic biomass. Using both high energy X-ray scattering and atomistic molecular simulations, this article compares the bulk liquid structural properties for novel Zw-ILs with their homologous ILs. It is shown that the significant localization of the charges on Zw-ILs leads to charge ordering similar to that observed for conventional ionic liquids with monovalent anions and cations. A low-intensity first sharp diffraction peak in the liquid structure factor S(q) is observed for both the Zw-IL and the IL. This is unexpected since both the Zw-IL and IL have a 2-(2-methoxyethoxy)ethyl (diether) functional group on the cationic imidazolium ring and ether functional groups are known to suppress this peak. Detailed analyses show that this intermediate range order in the liquid structure arises for slightly different reasons in the Zw-IL vs. the IL. For the Zw-IL, the ether tails in the liquid are shown to aggregate into nanoscale domains.

Experimental and Computational Interrogation of Fast SCR Mechanism and Active Sites on H-Form SSZ-13

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

Li, Sichi; Zheng, Yang; Gao, Feng

Experiment and density functional theory (DFT) models are combined to develop a unified, quantitative model of the mechanism and kinetics of fast selective catalytic reduction (SCR) of NO/NO2 mixtures over H-SSZ-13 zeolite. Rates, rate orders, and apparent activation energies collected under differential conditions reveal two distinct kinetic regimes. First-principles thermodynamics simulations are used to determine the relative coverages of free Brønsted sites, chemisorbed NH4+ and physisorbed NH3 as a function of reaction conditions. First-principles metadynamics calculations show that all three sites can contribute to the rate-limiting N-N bond forming step in fast SCR. The results are used to parameterize amore » kinetic model that encompasses the full range of reaction conditions and recovers observed rate orders and apparent activation energies. Observed kinetic regimes are related to changes in most-abundant surface intermediates. Financial support was provided by the National Science Foundation GAOLI program under award number 1258690-CBET. We thank the Center for Research Computing at Notre« less

Electronic disorder and magnetic-field-induced superconductivity enhancement in Fe1+y(Te1-xSex)

NASA Astrophysics Data System (ADS)

Hu, Jin; Liu, Tijiang; Qian, Bin; Mao, Zhiqiang

2012-02-01

The iron chalcogenide Fe1+y(Te1-xSex) superconductor system exhibits a unique electronic and magnetic phase diagram distinct from those seen in iron pnictides: bulk superconductivity does not appear immediately following the suppression of long-range (π,0) AFM order. Instead, an intermediate phase with weak charge carrier localization appears between AFM order and bulk superconductivity (Liu et al., Nat. Mater. 9, 719 (2010)). In this talk, we report our recent studies on the relationship between the normal state and superconducting properties in Fe1+y(Te1-xSex). We show that the superconducting volume fraction VSC and normal state metallicity significantly increase while the normal state Sommerfeld coefficient γ and Hall coefficient RH drop drastically with increasing Se content in the underdoped superconducting region. Additionally, VSC is surprisingly enhanced by magnetic field in heavily underdoped superconducting samples. The implications of these results will be discussed. Our analyses suggest that the suppression of superconductivity in the underdoped region is associated with electronic disorder caused by incoherent magnetic scattering arising from (π,0) magnetic fluctuations.

Hybridized orbital states in spin-orbit coupled 3 d -5 d double perovskites studied by x-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Min-Cheol; Lee, Sanghyun; Won, C. J.; Lee, K. D.; Hur, N.; Chen, Jeng-Lung; Cho, Deok-Yong; Noh, T. W.

2018-03-01

We investigated the orbital hybridization mechanism in 3 d -5 d double perovskites (DPs) of La2CoIrO6 and La2CoPtO6 using x-ray absorption spectroscopy. It is clearly evidenced by O K -edge and Co K -edge x-ray absorption spectra that the Co 3 d orbitals hybridize not only with the half-filled Ir/Pt jeff states but also with the fully empty (unpolarized) Ir/Pt eg states in both DPs. The Co 3 d eg-Ir 5 d eg hybridization cannot contribute to the ferrimagnetic long-range order in La2CoIrO6 established by spin-selective Co 3 d t2 g-Ir 5 d jeff hybridization through the intermediate oxygen p state but could serve as an origin of paramagnetism. The strengths of such orbital hybridizations were found to be almost invariant to temperature, even far above the Curie temperature, implying persistent paramagnetism against the antiferromagnetic ordering in the spin-orbit entangled 3 d -5 d DPs.

Genetic map of the Bacillus stearothermophilus NUB36 chromosome

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

Vallier, H.; Welker, N.E.

1990-02-01

A circular genetic map of Bacillus stearothermophilus NUB36 was constructed by transduction with bacteriophage TP-42C and protoplast fusion. Sixty-four genes were tentatively assigned a cognate Bacillus subtilis gene based on growth response to intermediates or end products of metabolism, cross-feeding, accumulation of intermediates, or their relative order in a linkage group. Although the relative position of many genes on the Bacillus subtilis genetic map appears to be similar, some differences were detected. The tentative order of the genes in the Bacillus stearothermophilus aro region is aspB-aroBAFEC-tyra-hisH-(trp), whereas it is aspB-aroE-tyrA-hisH-(trp)-aroHBF in Bacillus subtilis. The aroA, aroC, and aroG genes inmore » Bacillus subtilis are located in another region. The tentative order of genes in the trp operon of Bacillus stearothermophilus is trpFCDABE, whereas it is trpABFCDE in Bacillus subtilis.« less

Effect of ordered intermediate porosity on ion transport in hierarchically nanoporous electrodes.

PubMed

Chae, Weon-Sik; Gough, Dara Van; Ham, Sung-Kyoung; Robinson, David B; Braun, Paul V

2012-08-01

The high surface area of nanoporous electrodes makes them promising for use in electrochemical double-layer supercapacitors, desalination and pollution remediation, and drug delivery applications. When designed well and operating near their peak power, their charging rates are limited by ion transport through their long, narrow pores. This can be alleviated by creating pores of intermediate diameter that penetrate the electrode. We have fabricated electrodes featuring these by creating colloidal crystal-templated opals of nanoporous gold formed by dealloying. The resulting electrodes contain a bimodal pore-size distribution, with large pores on the order of several 100 nm and small pores on the order of 10 nm. Electrochemical impedance spectrometry shows that porous gold opals sacrifice some capacitance, but possess a lower internal resistance, when compared to a porous gold electrode with only the smaller-diameter pores. The architectural flexibility of this approach provides a greater ability to design a balance between power density and energy density.

Heat transport in an anharmonic crystal

NASA Astrophysics Data System (ADS)

Acharya, Shiladitya; Mukherjee, Krishnendu

2018-04-01

We study transport of heat in an ordered, anharmonic crystal in the form of slab geometry in three dimensions. Apart from attaching baths of Langevin type to two extreme surfaces, we also attach baths of same type to the intermediate surfaces of the slab. Since the crystal is uninsulated, it exchanges energy with the intermediate heat baths. We find that both Fourier’s law of heat conduction and the Newton’s law of cooling hold to leading order in anharmonic coupling. The leading behavior of the temperature profile is exponentially falling from high to low temperature surface of the slab. As the anharmonicity increases, profiles fall more below the harmonic one in the log plot. In the thermodynamic limit thermal conductivity remains independent of the environment temperature and its leading order anharmonic contribution is linearly proportional to the temperature change between the two extreme surfaces of the slab. A fast crossover from one-dimensional (1D) to three-dimensional (3D) behavior of the thermal conductivity is observed in the system.

Electron-impact ionization of Ne (2 p ) and Ar (3 p ) at intermediate energies: Role of the postcollision interaction

NASA Astrophysics Data System (ADS)

Hu, Xiaoqing; Gao, Cong-Zhang; Chen, Zhanbin; Wang, Jianguo; Wu, Yong; Wang, Yang

2017-11-01

We present the absolute triple differential cross section (TDCS) for single ionization of Ne (2 p ) at an impact energy of 599.6 eV and Ar (3 p ) at 195 eV. The role of the postcollision interaction (PCI) is studied using a high-order distorted-wave Born approximation model with a continuum distorted-waves expansion. Both the second- and third-order effects are considered in the present calculations, and the third-order distorted wave Born approximation model is reported in the (e ,2 e ) reaction. The calculated results show satisfactory agreement with experimental data. The magnitude of the absolute TDCS is enhanced by a factor 2-3 when the strength factor γ of the PCI amplitude is summarized just from 0 to 2. This proves that the PCI plays an important role in the absolute TDCS of the (e ,2 e ) reaction in the intermediate-energy region.

Responses Of Alpine Vegetation To Global Warming: Insights From Comparing Alpine-Restricted And Broad-Ranging Herbs Along Snowmelt Gradients

NASA Astrophysics Data System (ADS)

Butz, R. J.; Reinhardt, K. S.; Germino, M. J.; Kueppers, L. M.

2009-12-01

Many alpine plant species face habitat fragmentation and loss, and even extinction because their narrow elevation, precipitation, and temperature tolerances limit their geographic distribution. In order to assess the impacts of climate change on sensitive native alpine communities we used a variety of methods to look at the seasonal timing of life stages (phenology) and the stress responses (physiology) of alpine species along a natural environmental gradient at Niwot Ridge in the Colorado Rocky Mountains to address the following question: Will alpine plants be impaired in their existing range as a result of climate change? We collected data on date of snowmelt and vegetative and flowering phenology of all alpine species present from snowmelt to senescence in 80 1m2 plots above treeline. In addition, we measured soil temperature and moisture, plant water potential and leaf-level gas exchange early, mid, and late-season on three alpine-restricted and three broader-ranging alpine species: Geum rossii, Artemisia scopulorum, Carex rupestris, Lewisia pygmaea, Tetraneuris grandiflora, and Sibbaldia procumbens. In 2009, the natural variation in snowmelt timing was 40 days (approximately 5.5 weeks) over the 80 plots. Our results suggest that with earlier snowmelt, the number of vascular species per plot increases. However, this increase is almost exclusively attributable to wider ranging species not restricted to the alpine. Plots with intermediate natural snowmelt dates had a higher diversity of alpine-restricted species, photosynthesis, and water-use efficiency, thereby potentially increasing long-term survival rates amongst alpine species. Water stress increased in all species as the season progressed, especially in plots where snow melted earliest. Photosynthetic productivity and diversity of alpine-restricted species was greatest in plots having intermediate melt dates. These findings suggest that shifts in snowmelt date under a warming climate will likely impact the diversity and productivity of alpine vegetation. Furthermore, results from this ongoing work will contribute to a predictive understanding of shifts in the distributions of subalpine and alpine species with climate warming in the Rocky Mountains and Western U.S.

Evaluation of primary androgen deprivation therapy in prostate cancer patients using the J-CAPRA risk score

PubMed Central

Akaza, Hideyuki; Hinotsu, Shiro; Usami, Michiyuki; Ogawa, Osamu; Kitamura, Tadaichi; Suzuki, Kazuhiro; Tsukamoto, Taiji; Naito, Seiji; Namiki, Mikio; Hirao, Yoshihiko; Murai, Masaru

2013-01-01

Purpose: To determine the influence of maximal androgen blockade (MAB) and non-MAB hormonal therapy with an luteinizing hormone releasing hormone (LHRH) analog on overall survival of prostate cancer patients in the Japan Study Group of Prostate Cancer (J-CaP) registry according to risk, as assessed using the novel J-CAPRA risk instrument. To undertake a multivariate analysis combining J-CAPRA risk score, type of hormonal therapy and comorbidities, in order to assess their impact on overall survival. Methods: The J-CaP database includes men in Japan diagnosed with any stage of prostate cancer between 2001 and 2003 and treated with primary androgen deprivation therapy (PADT), as monotherapy or in combination. A total of 26,272 men were enrolled and of these 19,265 were treated with PADT. This analysis was undertaken using the latest data set (30 April, 2010) including a total of 15,727 patients who received PADT and had follow-up data for periods ranging from 0 to 9.2 years. Results: MAB for prostate cancer patients with intermediate- or high-risk disease has a significant benefit in terms of overall survival compared with LHRH analog monotherapy or surgical castration alone. Better results may be achieved in older (≥75 years) patients. Patient comorbidities are an important factor in determining overall survival, notably in older patients, and should be considered when selecting therapy. Conclusions: Based on large-scale registry data, this report is the first to analyze the outcomes of MAB therapy in patients with prostate cancer at a wide range of disease stages. MAB therapy may provide significant survival benefits in intermediate- and high-risk patients. PMID:24223407

Kaon BSM B -parameters using improved staggered fermions from N f = 2 + 1 unquenched QCD

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

Choi, Benjamin J.

2016-01-28

In this paper, we present results for the matrix elements of the additional ΔS = 2 operators that appear in models of physics beyond the Standard Model (BSM), expressed in terms of four BSM B -parameters. Combined with experimental results for ΔM K and ε K, these constrain the parameters of BSM models. We use improved staggered fermions, with valence hypercubic blocking transfromation (HYP)-smeared quarks and N f = 2 + 1 flavors of “asqtad” sea quarks. The configurations have been generated by the MILC Collaboration. The matching between lattice and continuum four-fermion operators and bilinears is done perturbatively at one-loop order. We use three lattice spacings for the continuum extrapolation: a ≈ 0.09 , 0.06 and 0.045 fm. Valence light-quark masses range down to ≈ mmore » $$phys\\atop{s}$$ /13 while the light sea-quark masses range down to ≈ m$$phys\\atop{s}$$ / 20 . Compared to our previous published work, we have added four additional lattice ensembles, leading to better controlled extrapolations in the lattice spacing and sea-quark masses. We report final results for two renormalization scales, μ = 2 and 3 GeV, and compare them to those obtained by other collaborations. Agreement is found for two of the four BSM B-parameters (B 2 and B$$SUSY\\atop{3}$$ ). The other two (B 4 and B 5) differ significantly from those obtained using regularization independent momentum subtraction (RI-MOM) renormalization as an intermediate scheme, but are in agreement with recent preliminary results obtained by the RBC-UKQCD Collaboration using regularization independent symmetric momentum subtraction (RI-SMOM) intermediate schemes.« less

Nonhost resistance to rust pathogens - a continuation of continua.

PubMed

Bettgenhaeuser, Jan; Gilbert, Brian; Ayliffe, Michael; Moscou, Matthew J

2014-01-01

The rust fungi (order: Pucciniales) are a group of widely distributed fungal plant pathogens, which can infect representatives of all vascular plant groups. Rust diseases significantly impact several crop species and considerable research focuses on understanding the basis of host specificity and nonhost resistance. Like many pathogens, rust fungi vary considerably in the number of hosts they can infect, such as wheat leaf rust (Puccinia triticina), which can only infect species in the genera Triticum and Aegilops, whereas Asian soybean rust (Phakopsora pachyrhizi) is known to infect over 95 species from over 42 genera. A greater understanding of the genetic basis determining host range has the potential to identify sources of durable resistance for agronomically important crops. Delimiting the boundary between host and nonhost has been complicated by the quantitative nature of phenotypes in the transition between these two states. Plant-pathogen interactions in this intermediate state are characterized either by (1) the majority of accessions of a species being resistant to the rust or (2) the rust only being able to partially complete key components of its life cycle. This leads to a continuum of disease phenotypes in the interaction with different plant species, observed as a range from compatibility (host) to complete immunity within a species (nonhost). In this review we will highlight how the quantitative nature of disease resistance in these intermediate interactions is caused by a continuum of defense barriers, which a pathogen needs to overcome for successfully establishing itself in the host. To illustrate continua as this underlying principle, we will discuss the advances that have been made in studying nonhost resistance towards rust pathogens, particularly cereal rust pathogens.

Nonhost resistance to rust pathogens – a continuation of continua

PubMed Central

Bettgenhaeuser, Jan; Gilbert, Brian; Ayliffe, Michael; Moscou, Matthew J.

2014-01-01

The rust fungi (order: Pucciniales) are a group of widely distributed fungal plant pathogens, which can infect representatives of all vascular plant groups. Rust diseases significantly impact several crop species and considerable research focuses on understanding the basis of host specificity and nonhost resistance. Like many pathogens, rust fungi vary considerably in the number of hosts they can infect, such as wheat leaf rust (Puccinia triticina), which can only infect species in the genera Triticum and Aegilops, whereas Asian soybean rust (Phakopsora pachyrhizi) is known to infect over 95 species from over 42 genera. A greater understanding of the genetic basis determining host range has the potential to identify sources of durable resistance for agronomically important crops. Delimiting the boundary between host and nonhost has been complicated by the quantitative nature of phenotypes in the transition between these two states. Plant–pathogen interactions in this intermediate state are characterized either by (1) the majority of accessions of a species being resistant to the rust or (2) the rust only being able to partially complete key components of its life cycle. This leads to a continuum of disease phenotypes in the interaction with different plant species, observed as a range from compatibility (host) to complete immunity within a species (nonhost). In this review we will highlight how the quantitative nature of disease resistance in these intermediate interactions is caused by a continuum of defense barriers, which a pathogen needs to overcome for successfully establishing itself in the host. To illustrate continua as this underlying principle, we will discuss the advances that have been made in studying nonhost resistance towards rust pathogens, particularly cereal rust pathogens. PMID:25566270

THE INTERMEDIATE NEUTRON-CAPTURE PROCESS AND CARBON-ENHANCED METAL-POOR STARS

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

Hampel, Melanie; Stancliffe, Richard J.; Lugaro, Maria

Carbon-enhanced metal-poor (CEMP) stars in the Galactic Halo display enrichments in heavy elements associated with either the s (slow) or the r (rapid) neutron-capture process (e.g., barium and europium, respectively), and in some cases they display evidence of both. The abundance patterns of these CEMP- s / r stars, which show both Ba and Eu enrichment, are particularly puzzling, since the s and the r processes require neutron densities that are more than ten orders of magnitude apart and, hence, are thought to occur in very different stellar sites with very different physical conditions. We investigate whether the abundance patternsmore » of CEMP- s / r stars can arise from the nucleosynthesis of the intermediate neutron-capture process (the i process), which is characterized by neutron densities between those of the s and the r processes. Using nuclear network calculations, we study neutron capture nucleosynthesis at different constant neutron densities n ranging from 10{sup 7}–10{sup 15} cm{sup -3}. With respect to the classical s process resulting from neutron densities on the lowest side of this range, neutron densities on the highest side result in abundance patterns, which show an increased production of heavy s -process and r -process elements, but similar abundances of the light s -process elements. Such high values of n may occur in the thermal pulses of asymptotic giant branch stars due to proton ingestion episodes. Comparison to the surface abundances of 20 CEMP- s / r stars shows that our modeled i -process abundances successfully reproduce observed abundance patterns, which could not be previously explained by s -process nucleosynthesis. Because the i -process models fit the abundances of CEMP- s / r stars so well, we propose that this class should be renamed as CEMP- i .« less

Visual outcomes of patients bilaterally implanted with the extended range of vision intraocular lens: A prospective study

PubMed Central

Sachdev, Gitansha Shreyas; Ramamurthy, Shreyas; Sharma, Umesh; Dandapani, Ramamurthy

2018-01-01

Purpose: The aim of this study was to analyze the objective and subjective visual outcomes of patients bilaterally implanted with the extended range of vision intraocular lens (EROV IOL), the Tecnis Symfony. Methods: This was a prospective interventional case series conducted at a tertiary eye care hospital in South India. The study included patients with bilateral implantation of EROV IOLs. The uncorrected and corrected visual acuity for distance, intermediate, and near vision was recorded at 6 weeks and 6 months’ postoperative visit. A subjective questionnaire was administered to assess spectacle independence, photic phenomenon, and overall satisfaction. All data were recorded using Microsoft Excel worksheet. The analyses were performed using SPSS for windows software. Results: Our study included fifty patients with bilateral implantation of EROV IOLs. The mean age was 59.84 ± 11.68 years. The mean uncorrected binocular distance, intermediate, and near visual acuity (in standard decimal equivalent) was 0.89,0.99 and 0.99 respectively, at 6 months’ postoperative visit. Ninety-six percent of the patients did not require spectacles for distance and 98% of the patients were free from spectacles for intermediate and near vision. 94% of our patients perceived no or minimal photic phenomena such as glare and halos. The mean subjective patient satisfaction score (out of 10) for distance, intermediate, and near was 9, 10, and 9, respectively. Conclusion: The EROV IOLs demonstrated high levels of spectacle independence for distance, intermediate, and near vision. The incidence of photic phenomena observed was minimal with a high level of patient satisfaction. PMID:29480252

Rehabilitation of Understocked Loblolly-Shortleaf Pine Stands - II. Development of Intermediate and Suppressed Trees Following Release in Natural Stands

Treesearch

James B. Baker; Michael G. Shelton

1998-01-01

Development of 86 intermediate and suppressed loblolly pine (Pinus taeda L.) trees, that had been recently released from overtopping pines and hardwoods, was monitored over a 15 year period. The trees were growing in natural stands on good sites (site index = 90 ft at 50 years) that had been recently cut to stocking levels ranging from 10 to 50 percent. At time of...

Near constant-time optimal piecewise LDR to HDR inverse tone mapping

NASA Astrophysics Data System (ADS)

Chen, Qian; Su, Guan-Ming; Yin, Peng

2015-02-01

In a backward compatible HDR image/video compression, it is a general approach to reconstruct HDR from compressed LDR as a prediction to original HDR, which is referred to as inverse tone mapping. Experimental results show that 2- piecewise 2nd order polynomial has the best mapping accuracy than 1 piece high order or 2-piecewise linear, but it is also the most time-consuming method because to find the optimal pivot point to split LDR range to 2 pieces requires exhaustive search. In this paper, we propose a fast algorithm that completes optimal 2-piecewise 2nd order polynomial inverse tone mapping in near constant time without quality degradation. We observe that in least square solution, each entry in the intermediate matrix can be written as the sum of some basic terms, which can be pre-calculated into look-up tables. Since solving the matrix becomes looking up values in tables, computation time barely differs regardless of the number of points searched. Hence, we can carry out the most thorough pivot point search to find the optimal pivot that minimizes MSE in near constant time. Experiment shows that our proposed method achieves the same PSNR performance while saving 60 times computation time compared to the traditional exhaustive search in 2-piecewise 2nd order polynomial inverse tone mapping with continuous constraint.

An infrared study of the nitro—nitrito linkage isomerization in solid nitro- and nitritopentamminecobalt(III) chloride

NASA Astrophysics Data System (ADS)

Heyns, A. M.; de Waal, D.

1989-01-01

The photochemical isomerization reaction of [Co(NH 3) 5NO 2]Cl 2 to [Co(NH 3) 5ONO]Cl 2 has been studied in the solid state by means of i.r. spectroscopy. The reaction is first order with k = 2.53±0.05 × 10 -4s -1 and is much faster ( t1/2=49min) than the well-known spontaneous nitrito → nitro isomerization ( t1/2 = 6 days). The i.r. bands of both the NH 3 and ONO - -groups in the range 4000-50 cm -1 indicate minor differences between the structures of freshly and photochemically prepared [Co(NH 3) 5ONO]Cl 2. The far i.r. spectra indicate the disorder existing in the intermediate products during the isomerization processes.

Microcanonical molecular simulations of methane hydrate nucleation and growth: evidence that direct nucleation to sI hydrate is among the multiple nucleation pathways.

PubMed

Zhang, Zhengcai; Walsh, Matthew R; Guo, Guang-Jun

2015-04-14

The results of six high-precision constant energy molecular dynamics (MD) simulations initiated from methane-water systems equilibrated at 80 MPa and 250 K indicate that methane hydrates can nucleate via multiple pathways. Five trajectories nucleate to an amorphous solid. One trajectory nucleates to a structure-I hydrate template with long-range order which spans the simulation box across periodic boundaries despite the presence of several defects. While experimental and simulation data for hydrate nucleation with different time- and length-scales suggest that there may exist multiple pathways for nucleation, including metastable intermediates and the direct formation of the globally-stable phase, this work provides the most compelling evidence that direct formation to the globally stable crystalline phase is one of the multiple pathways available for hydrate nucleation.

A combining rule calculation of the ground-state van der Waals potentials of the magnesium rare-gas complexes

NASA Astrophysics Data System (ADS)

Saidi, Samah; Alharzali, Nissrin; Berriche, Hamid

2017-04-01

The potential energy curves and spectroscopic constants of the ground-state of the Mg-Rg (Rg = He, Ne, Ar, Kr, and Xe) van der Waals complexes are generated by the Tang-Toennies potential model and a set of derived combining rules. The parameters of the model are calculated from the potentials of the homonuclear magnesium and rare-gas dimers. The predicted spectroscopic constants are comparable to other available theoretical and experimental results, except in the case of Mg-He, we note that there are large differences between various determinations. Moreover, in order to reveal relative differences between species more obviously we calculated the reduced potential of these five systems. The curves are clumped closely together, but at intermediate range the Mg-He reduced potential is clearly very different from the others.

A Multiwavelength Study of POX 52, a Dwarf Seyfert Galaxy with an Intermediate Mass Black Hole

NASA Astrophysics Data System (ADS)

Barth, Aaron

2004-09-01

POX 52 is a Seyfert 1 galaxy with unprecedented properties: its host galaxy is a dwarf elliptical, and its stellar velocity dispersion is only 36 km/s. The stellar velocity dispersion and the broad emission-line widths both suggest a black hole mass of order 10^5 solar masses. We request HST ACS/HRC imaging to perform a definitive measurement of the host galaxy structure; STIS UV and optical spectroscopy to study the nonstellar continuum and the structure of the broad-line region; and Chandra ACIS imaging to investigate the spectral and variability properties of the X-ray emission. The results of this program will give a detailed understanding of the host galaxy and accretion properties of one of the very few known black holes in the mass range around 10^5 solar masses.

Solid-to-solid phase transformations of nanostructured selenium-tin thin films induced by thermal annealing in oxygen atmosphere

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

Serra, A.; Rossi, M.; Buccolieri, A.

2014-06-19

The structural and morphological evolution of nanostructured thin films obtained from thermal evaporation of polycrystalline Sn-Se starting charge as a function of the subsequent annealing temperature in an oxygen flow has been analysed. High-resolution transmission electron microscopy, small area electron diffraction, digital image processing, x-ray diffraction and Raman spectroscopy have been employed in order to investigate the structure and the morphology of the obtained films. The results evidenced, in the temperature range from RT to 500°C, the transition of the material from a homogeneous mixture of SnSe and SnSe{sub 2} nanocrystals, towards a homogeneous mixture of SnO{sub 2} and SeO{submore » 2} nanocrystals, with an intermediate stage in which only SnSe{sub 2} nanocrystals are present.« less

Physical Applications of a Simple Approximation of Bessel Functions of Integer Order

ERIC Educational Resources Information Center

Barsan, V.; Cojocaru, S.

2007-01-01

Applications of a simple approximation of Bessel functions of integer order, in terms of trigonometric functions, are discussed for several examples from electromagnetism and optics. The method may be applied in the intermediate regime, bridging the "small values regime" and the "asymptotic" one, and covering, in this way, an area of great…

Comparative techno-economic analysis and process design for indirect liquefaction pathways to distillate-range fuels via biomass-derived oxygenated intermediates upgrading: Liquid Transportation Fuel Production via Biomass-derived Oxygenated Intermediates Upgrading

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

Tan, Eric C. D.; Snowden-Swan, Lesley J.; Talmadge, Michael

This paper presents a comparative techno-economic analysis (TEA) of five conversion pathways from biomass to gasoline-, jet-, and diesel-range hydrocarbons via indirect liquefaction with specific focus on pathways utilizing oxygenated intermediates. The four emerging pathways of interest are compared with one conventional pathway (Fischer-Tropsch) for the production of the hydrocarbon blendstocks. The processing steps of the four emerging pathways include: biomass to syngas via indirect gasification, gas cleanup, conversion of syngas to alcohols/oxygenates followed by conversion of alcohols/oxygenates to hydrocarbon blendstocks via dehydration, oligomerization, and hydrogenation. Conversion of biomass-derived syngas to oxygenated intermediates occurs via three different pathways, producing: 1)more » mixed alcohols over a MoS2 catalyst, 2) mixed oxygenates (a mixture of C2+ oxygenated compounds, predominantly ethanol, acetic acid, acetaldehyde, ethyl acetate) using an Rh-based catalyst, and 3) ethanol from syngas fermentation. This is followed by the conversion of oxygenates/alcohols to fuel-range olefins in two approaches: 1) mixed alcohols/ethanol to 1-butanol rich mixture via Guerbet reaction, followed by alcohol dehydration, oligomerization, and hydrogenation, and 2) mixed oxygenates/ethanol to isobutene rich mixture and followed by oligomerization and hydrogenation. The design features a processing capacity of 2,000 tonnes/day (2,205 short tons) of dry biomass. The minimum fuel selling prices (MFSPs) for the four developing pathways range from $3.40 to $5.04 per gasoline-gallon equivalent (GGE), in 2011 US dollars. Sensitivity studies show that MFSPs can be improved with co-product credits and are comparable to the commercial Fischer-Tropsch benchmark ($3.58/GGE). Overall, this comparative TEA study documents potential economics for the developmental biofuel pathways via mixed oxygenates.« less

Interferon versus methotrexate in intermediate uveitis with macular edema: results of a randomized controlled clinical trial.

PubMed

Mackensen, Friederike; Jakob, Eva; Springer, Christina; Dobner, Bianca C; Wiehler, Ute; Weimer, Petra; Rohrschneider, Klaus; Fiehn, Christoph; Max, Regina; Storch-Hagenlocher, Brigitte; Becker, Matthias D

2013-09-01

To compare interferon (IFN) beta with methotrexate (MTX) in the treatment of intermediate uveitis with macular edema. Monocentric, prospective, randomized, controlled clinical trial. Specialized uveitis center at the University of Heidelberg. PATIENT OR STUDY POPULATION: Patients with either primary intermediate uveitis or uveitis associated with multiple sclerosis. MAIN INCLUSION CRITERIA: Visual acuity of 20/30 or worse (0.2 logarithm of the minimal angle of resolution) and macular edema of more than 250 μm (central 1-mm in optical coherence tomography; Stratus). Randomization into either IFN beta 44 μg subcutaneously 3 times weekly or 20 mg MTX subcutaneously once weekly. At 3 months, the primary outcome parameter of mean change in visual acuity was evaluated and efficacy was determined. Secondary parameters were macular edema by optical coherence tomography, inflammatory activity, and retinal sensitivity by microperimetry (MP-1; Nidek). In case of treatment failure, switching to the other treatment arm was possible. Nineteen patients were included. Ten were randomized to MTX, and 9 were randomized to IFN beta. At 3 months, visual acuity improved a mean 0.31 logarithm of the minimal angle of resolution (range, -0.02 to -0.96, 15.6 letters on the Early Treatment Diabetic Retinopathy Study chart) in the IFN beta group versus a mean 0.09 logarithm of the minimal angle of resolution (range, 0.12 to -0.38, 4.7 letters) in the MTX arm (P = .0435, Mann-Whitney U test). Macular thickness decreased by a mean of 206 μm (range, -41 to -416 μm) in the IFN arm, but increased by 47 μm (range, 108 to -28 μm) in the MTX group (P < .0001). Although the sample size is small, results of the trial support superiority of IFN beta over MTX in the treatment of macular edema in the setting of intermediate uveitis. Copyright © 2013 Elsevier Inc. All rights reserved.

Microscopic coexistence of magnetism and superconductivity in charge-compensated Ba1-xKx(Fe1-yCoy)2As2

NASA Astrophysics Data System (ADS)

Goltz, Til; Zinth, Veronika; Johrendt, Dirk; Rosner, Helge; Pascua, Gwendolyne; Luetkens, Hubertus; Materne, Philipp; Klauss, Hans-Henning

2014-04-01

We present a detailed investigation of the electronic phase diagram of effectively charge compensated Ba1-xKx(Fe1-yCoy)2As2 with x /2≈y. Our experimental study by means of x-ray diffraction, Mössbauer spectroscopy, muon spin relaxation and ac-susceptibility measurements on polycrystalline samples is complemented by density functional electronic structure calculations. For low substitution levels of x /2≈y≤0.13, the system displays an orthorhombically distorted and antiferromagnetically ordered ground state. The low-temperature structural and magnetic order parameters are successively reduced with increasing substitution level. We observe a linear relationship between the structural and the magnetic order parameter as a function of temperature and substitution level for x /2≈y≤0.13. At intermediate substitution levels in the range between 0.13 and 0.19, we find superconductivity with a maximum Tc of 15 K coexisting with static magnetic order on a microscopic length scale. For higher substitution levels x /2≈y≥0.25, a tetragonal nonmagnetic ground state is observed. Our DFT calculations yield a significant reduction of the Fe 3d density of states at the Fermi energy and a strong suppression of the ordered magnetic moment in excellent agreement with experimental results. The appearance of superconductivity within the antiferromagnetic state can by explained by the introduction of disorder due to nonmagnetic impurities to a system with a constant charge carrier density.

Particle Trapping Mechanisms Are Different in Spatially Ordered and Disordered Interacting Gels.

PubMed

Hansing, Johann; Netz, Roland R

2018-06-05

Using stochastic simulations, we study the influence of spatial disorder on the diffusion of a single particle through a gel that consists of rigid, straight fibers. The interaction between the particle and the gel fibers consists of an invariant short-range repulsion, the steric part, and an interaction part that can be attractive or repulsive and of varying range. The effect that spatial disorder of the gel structure has on the particle diffusivity depends crucially on the presence of nonsteric interactions. For attractive interactions, disorder slows down diffusion, because in disordered gels, the particle becomes strongly trapped in regions of locally increased fiber density. For repulsive interactions, the diffusivity is minimal for intermediate disorder strength, because highly disordered lattices exhibit abundant passageways of locally low fiber density. The comparison with experimental data on protein and fluorophore diffusion through various hydrogels is favorable. Our findings shed light on particle-diffusion mechanisms in biogels and thus on biological barrier properties, which can be helpful for the optimal design of synthetic diffusors as well as synthetic mucus constructs. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Environmental geochemical study of Red Mountain--an undisturbed volcanogenic massive sulfide deposit in the Bonnifield District, Alaska range, east-central Alaska: Chapter I in Recent U.S. Geological Survey studies in the Tintina Gold Province, Alaska, United States, and Yukon, Canada--results of a 5-year project

USGS Publications Warehouse

Eppinger, Robert G.; Briggs, Paul H.; Dusel-Bacon, Cynthia; Giles, Stuart A.; Gough, Larry P.; Hammarstrom, Jane M.; Hubbard, Bernard E.

2007-01-01

Water samples with the lowest pH values, highest specific conductances, and highest major- and trace-element concentrations are from springs and streams within the quartz-sericite-pyrite alteration zone. Aluminum, As, Cd, Co, Cu, Fe, Mn, Ni, Pb, Y, and particularly Zn and the REEs are all found in high concentrations, ranging across four orders of magnitude. Waters collected upstream from the alteration zone have near-neutral pH values, lower specific conductances, lower metal concentrations, and measurable alkalinities. Water samples collected downstream of the alteration zone have pH values and metal concentrations intermediate between these two extremes. Stream sediments are anomalous in Zn, Pb, S, Fe, Cu, As, Co, Sb, and Cd relative to local and regional background abundances. Red Mountain Creek and its tributaries do not support, and probably never have supported, significant megascopic faunal aquatic life.

Hybrid thermionic-photovoltaic converter

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

Datas, A.

2016-04-04

A conceptual device for the direct conversion of heat into electricity is presented. This concept hybridizes thermionic (TI) and thermophotovoltaic (TPV) energy conversion in a single thermionic-photovoltaic (TIPV) solid-state device. This device transforms into electricity both the electron and photon fluxes emitted by an incandescent surface. This letter presents an idealized analysis of this device in order to determine its theoretical potential. According to this analysis, the key advantage of this converter, with respect to either TPV or TI, is the higher power density in an extended temperature range. For low temperatures, TIPV performs like TPV due to the negligiblemore » electron flux. On the contrary, for high temperatures, TIPV performs like TI due to the great enhancement of the electron flux, which overshadows the photon flux contribution. At the intermediate temperatures, ∼1650 K in the case of this particular study, I show that the power density potential of TIPV converter is twice as great as that of TPV and TI. The greatest impact concerns applications in which the temperature varies in a relatively wide range, for which averaged power density enhancement above 500% is attainable.« less

Structure of naturally hydrated ferrihydrite revealed through neutron diffraction and first-principles modeling

NASA Astrophysics Data System (ADS)

Chappell, Helen F.; Thom, William; Bowron, Daniel T.; Faria, Nuno; Hasnip, Philip J.; Powell, Jonathan J.

2017-08-01

Ferrihydrite, with a ``two-line'' x-ray diffraction pattern (2L-Fh), is the most amorphous of the iron oxides and is ubiquitous in both terrestrial and aquatic environments. It also plays a central role in the regulation and metabolism of iron in bacteria, algae, higher plants, and animals, including humans. In this study, we present a single-phase model for ferrihydrite that unifies existing analytical data while adhering to fundamental chemical principles. The primary particle is small (20-50 Å) and has a dynamic and variably hydrated surface, which negates long-range order; collectively, these features have hampered complete characterization and frustrated our understanding of the mineral's reactivity and chemical/biochemical function. Near and intermediate range neutron diffraction (NIMROD) and first-principles density functional theory (DFT) were employed in this study to generate and interpret high-resolution data of naturally hydrated, synthetic 2L-Fh at standard temperature. The structural optimization overcomes transgressions of coordination chemistry inherent within previously proposed structures, to produce a robust and unambiguous single-phase model.

Integrated Approach Using Condition Monitoring and Modeling to Investigate Wind Turbine Gearbox Design: Preprint

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

Sheng, S.; Guo, Y.

2015-03-01

Vibration-based condition monitoring (CM) of geared utility-scale turbine drivetrains has been used by the wind industry to help improve operation and maintenance (O&M) practices, increase turbine availability, and reduce O&M cost. This study is a new endeavor that integrates the vibration-based CM technique with wind turbine gearbox modeling to investigate various gearbox design options. A teamof researchers performed vibration-based CM measurements on a damaged wind turbine gearbox with a classic configuration, (i.e., one planetary stage and two parallel stages). We observed that the acceleration amplitudes around the first-order sidebands of the intermediate stage gear set meshing frequency were much lowermore » than that measured at the high-speed gear set, and similar difference wasalso observed in a healthy gearbox. One factor for a reduction at the intermediate stage gear set is hypothesized to be the soft sun-spline configuration in the test gearbox. To evaluate this hypothesis, a multibody dynamic model of the healthy test gearbox was first developed and validated. Relative percent difference of the first-order sidebands--of the high-speed and intermediate stagegear-meshing frequencies--in the soft and the rigid sun spline configurations were compared. The results verified that the soft sun-spline configuration can reduce the sidebands of the intermediate stage gear set and also the locating bearing loads. The study demonstrates that combining vibration-based CM with appropriate modeling can provide insights for evaluating different wind turbinegearbox design options.« less

Constraining the intermediate-mass range of the Initial Mass Function using Galactic Cepheids

NASA Astrophysics Data System (ADS)

Mor, R.; Figueras, F.; Robin, A. C.; Lemasle, B.

2015-05-01

Aims. To use the Besançon Galaxy Model (Robin A.C. et al., 2003) and the most complete observational catalogues of Galactic Cepheids to constrain the intermediate-mass range of the Initial Mass Function (IMF) in the Milky Way Galactic thin disc. Methods. We have optimized the flexibility of the new Besançon Galaxy Model (Czekaj et al., 2014) to simulate magnitude and distance complete samples of young intermediate mass stars assuming different IMFs and Star Formation Histories (SFH). Comparing the simulated synthetic catalogues with the observational data, we studied which IMF reproduces better the observational number of Cepheids in the Galactic thin disc. We analysed three different IMFs: (1) Salpeter, (2) Kroupa-Haywood and (3) Haywood-Robin, all of them with a decreasing SFH from Aumer and Binney, 2009. Results. For the first time the Besançon Galaxy Model is used to characterize the Galactic Cepheids. We find that for most of the cases the Salpeter IMF overestimates the number of observed Cepheids and Haywood-Robin IMF underestimates it. The Kroupa-Haywood IMF, with a slope α=3.2, is the one that best reproduces the observed Cepheids. From the comparison of the predicted and observed number of Cepheids up to V=12, we point that the model might underestimate the scale-height of the young population. The effects of the variation of the model ingredients need to be quantified. Conclusions. In agreement with Kroupa and Weidner (2003), our study shows that the Salpeter IMF (α=2.35) overestimates the star counts in the range 4 ≤ M/M_{⊙} ≤ 10 and supports the idea that the slope of the intermediate and massive stars IMF is steeper than the Salpeter IMF.

Development of a modified cortisol extraction procedure for intermediately sized fish not amenable to whole-body or plasma extraction methods.

PubMed

Guest, Taylor W; Blaylock, Reginald B; Evans, Andrew N

2016-02-01

The corticosteroid hormone cortisol is the central mediator of the teleost stress response. Therefore, the accurate quantification of cortisol in teleost fishes is a vital tool for addressing fundamental questions about an animal's physiological response to environmental stressors. Conventional steroid extraction methods using plasma or whole-body homogenates, however, are inefficient within an intermediate size range of fish that are too small for phlebotomy and too large for whole-body steroid extractions. To assess the potential effects of hatchery-induced stress on survival of fingerling hatchery-reared Spotted Seatrout (Cynoscion nebulosus), we developed a novel extraction procedure for measuring cortisol in intermediately sized fish (50-100 mm in length) that are not amenable to standard cortisol extraction methods. By excising a standardized portion of the caudal peduncle, this tissue extraction procedure allows for a small portion of a larger fish to be sampled for cortisol, while minimizing the potential interference from lipids that may be extracted using whole-body homogenization procedures. Assay precision was comparable to published plasma and whole-body extraction procedures, and cortisol quantification over a wide range of sample dilutions displayed parallelism versus assay standards. Intra-assay %CV was 8.54%, and average recovery of spiked samples was 102%. Also, tissue cortisol levels quantified using this method increase 30 min after handling stress and are significantly correlated with blood values. We conclude that this modified cortisol extraction procedure provides an excellent alternative to plasma and whole-body extraction procedures for intermediately sized fish, and will facilitate the efficient assessment of cortisol in a variety of situations ranging from basic laboratory research to industrial and field-based environmental health applications.

Control of Synchronization Regimes in Networks of Mobile Interacting Agents

NASA Astrophysics Data System (ADS)

Perez-Diaz, Fernando; Zillmer, Ruediger; Groß, Roderich

2017-05-01

We investigate synchronization in a population of mobile pulse-coupled agents with a view towards implementations in swarm-robotics systems and mobile sensor networks. Previous theoretical approaches dealt with range and nearest-neighbor interactions. In the latter case, a synchronization-hindering regime for intermediate agent mobility is found. We investigate the robustness of this intermediate regime under practical scenarios. We show that synchronization in the intermediate regime can be predicted by means of a suitable metric of the phase response curve. Furthermore, we study more-realistic K -nearest-neighbor and cone-of-vision interactions, showing that it is possible to control the extent of the synchronization-hindering region by appropriately tuning the size of the neighborhood. To assess the effect of noise, we analyze the propagation of perturbations over the network and draw an analogy between the response in the hindering regime and stable chaos. Our findings reveal the conditions for the control of clock or activity synchronization of agents with intermediate mobility. In addition, the emergence of the intermediate regime is validated experimentally using a swarm of physical robots interacting with cone-of-vision interactions.

Theoretical Determination of Optimal Material Parameters for ZnCdTe/ZnCdSe Quantum Dot Intermediate Band Solar Cells

NASA Astrophysics Data System (ADS)

Imperato, C. M.; Ranepura, G. A.; Deych, L. I.; Kuskovsky, I. L.

2018-03-01

Intermediate band solar cells (IBSCs) are designed to enhance the photovoltaic efficiency significantly over that of a single-junction solar cell as determined by the Shockley-Queisser limit. In this work we present calculations to determine parameters of type-II Zn1-xCdxTe/Zn1-yCdySe quantum dots (QDs) grown on the InP substrate suitable for IBSCs. The calculations are done via the self-consistent variational method, accounting for the disk form of the QDs, presence of the strained ZnSe interfacial layer, and under conditions of a strain-free device structure. We show that to achieve the required parameters relatively thick QDs are required. Barriers must contain Cd concentration in the range of 35-44%, while Cd concentration in QD can vary widely from 0% to 70%, depending on their thickness to achieve the intermediate band energies in the range of 0.50-0.73 eV. It is also shown that the results are weakly dependent on the barrier thickness.

A laboratory study of subjective response to sonic booms measured at White Sands Missile Range

NASA Technical Reports Server (NTRS)

Sullivan, Brenda M.; Leatherwood, Jack D.

1993-01-01

The Sonic Boom Simulator of the Langley Research Center was used to quantify subjective loudness response to boom signatures consisting of: (1) simulator reproductions of booms recently recorded at White Sands Missile Range; (2) idealized N-waves; and (3) idealized booms having intermediate shocks. The booms with intermediate shocks represented signatures derived from CFD predictions. The recorded booms represented those generated by F15 and T38 aircraft flyovers and represented a variety of waveforms reflecting the effects of propagation through a turbulent atmosphere. These waveforms included the following shape categories: N-waves, peaked, rounded, and U-shaped. Results showed that Perceived Level and Zwicker Loudness Level were good estimators of the loudness of turbulence modified sonic booms. No significant differences were observed between loudness responses for the several shape categories when expressed in terms of Perceived Level. Thus, Perceived Level effectively accounted for waveform differences due to turbulence. Idealized booms with intermediate shocks, however, were rated as being approximately 2.7 dB(PL) less loud than the recorded signatures. This difference was not accounted for by PL.

Suzaku Observation of the Classical Nova V2491 Cyg in Quiescence

NASA Technical Reports Server (NTRS)

Zemko, P.; Mukai, K.; Orio, M.

2015-01-01

We present Suzaku XIS observation of V2491 Cyg (Nova Cyg 2008 No. 2) obtained in quiescence, more than two years after the outburst. The nova was detected as a very luminous source in a wide spectral range from soft to hard X-rays. A very soft blackbody-like component peaking at 0.5 keV indicates that either we observe remaining, localized hydrogen burning on the surface of the white dwarf, or accretion onto a magnetized polar cap. In the second case, V2491 Cyg is a candidate "soft intermediate polar". We obtained the best fit for the X-ray spectra with several components: two of thermal plasma, a blackbody and a complex absorber. The later is typical of intermediate polars. The X-ray light-curve shows a modulation with an approximately 38 min period. The amplitude of this modulation is strongly energy dependent and reaches maximum in the 0.8-2.0 keV range. We discuss the origin of the X-ray emission and pulsations, and the likelihood of the intermediate polar scenario.

Long-term results of pars plana vitrectomy as an anti-inflammatory therapy of pediatric intermediate uveitis resistant to standard medical treatment.

PubMed

Darsová, Denisa; Pochop, Pavel; Štěpánková, Jana; Dotřelová, Dagmar

2018-01-01

To evaluate the efficacy of pars plana vitrectomy (PPV) as an anti-inflammatory therapy in pediatric recurrent intermediate uveitis. A retrospective study evaluated the long-term results of PPV indicated for intermediate uveitis with a mean observation period of 10.3 years (range 7-15.6 years) in 6 children (mean age 8 years, range 6-12 years). Pars plana vitrectomy was performed on 10 eyes in the standard manner and was initiated by vitreous sampling for laboratory examination. Data recorded were perioperative or postoperative vitrectomy complications, anatomic and functional results of PPV, and preoperative and postoperative best-corrected Snellen visual acuity. No perioperative or postoperative complications were observed. Bacteriologic, virologic, mycotic, and cytologic analysis of the vitreous was negative in all tested children. Five eyes were subsequently operated on for posterior subcapsular cataracts. An average preoperative visual acuity of 0.32 improved to an average postoperative visual acuity of 0.8. In the case of systemic immunosuppressive treatment failure in pediatric uveitis, particularly in eyes with cystoid macular edema, we recommend PPV relatively early.

Defect mapping system

DOEpatents

Sopori, Bhushan L.

1995-01-01

Apparatus for detecting and mapping defects in the surfaces of polycrystalline materials in a manner that distinguishes dislocation pits from grain boundaries includes a laser for illuminating a wide spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate rastor mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities.

Defect mapping system

DOEpatents

Sopori, B.L.

1995-04-11

Apparatus for detecting and mapping defects in the surfaces of polycrystalline materials in a manner that distinguishes dislocation pits from grain boundaries includes a laser for illuminating a wide spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate rastor mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities. 20 figures.

Healthy(?), wealthy, and wise: Birth order and adult health.

PubMed

Black, Sandra E; Devereux, Paul J; Salvanes, Kjell G

2016-12-01

While recent research has found that birth order affects outcomes such as education and earnings, the evidence for effects on health is more limited. This paper uses a large Norwegian dataset to focus on the relationship between birth order and a range of health and health-related behaviors, outcomes not previously available in datasets of this magnitude. Interestingly, we find complicated effects of birth order. First-borns are more likely to be overweight, to be obese, and to have high blood pressure and high triglycerides. For example, compared to fifth-borns, first-borns are about 5% points more likely to be obese and 7% points more likely to have high blood pressure. So, unlike education or earnings, there is no clear first-born advantage in health. However, first-borns are about 13% points less likely to smoke daily than fifth-borns and are more likely to report good physical and mental health. Later-borns also score lower on well-being with fifth-borns being about 9% points less likely than first-borns to report that they are happy. Our findings are generally monotonic with middle-borns having outcomes that are intermediate between first- and fifth-borns. We find that these effects are largely unaffected by conditioning on education and earnings, suggesting that these are not the only important pathways to health differentials by birth order. When we explore possible mechanisms, we find that early maternal investment may play a role in birth order effects on health. Copyright © 2016 Elsevier B.V. All rights reserved.

Intermediate scattering function of an anisotropic active Brownian particle

PubMed Central

Kurzthaler, Christina; Leitmann, Sebastian; Franosch, Thomas

2016-01-01

Various challenges are faced when animalcules such as bacteria, protozoa, algae, or sperms move autonomously in aqueous media at low Reynolds number. These active agents are subject to strong stochastic fluctuations, that compete with the directed motion. So far most studies consider the lowest order moments of the displacements only, while more general spatio-temporal information on the stochastic motion is provided in scattering experiments. Here we derive analytically exact expressions for the directly measurable intermediate scattering function for a mesoscopic model of a single, anisotropic active Brownian particle in three dimensions. The mean-square displacement and the non-Gaussian parameter of the stochastic process are obtained as derivatives of the intermediate scattering function. These display different temporal regimes dominated by effective diffusion and directed motion due to the interplay of translational and rotational diffusion which is rationalized within the theory. The most prominent feature of the intermediate scattering function is an oscillatory behavior at intermediate wavenumbers reflecting the persistent swimming motion, whereas at small length scales bare translational and at large length scales an enhanced effective diffusion emerges. We anticipate that our characterization of the motion of active agents will serve as a reference for more realistic models and experimental observations. PMID:27830719

Intermediate scattering function of an anisotropic active Brownian particle.

PubMed

Kurzthaler, Christina; Leitmann, Sebastian; Franosch, Thomas

2016-10-10

Various challenges are faced when animalcules such as bacteria, protozoa, algae, or sperms move autonomously in aqueous media at low Reynolds number. These active agents are subject to strong stochastic fluctuations, that compete with the directed motion. So far most studies consider the lowest order moments of the displacements only, while more general spatio-temporal information on the stochastic motion is provided in scattering experiments. Here we derive analytically exact expressions for the directly measurable intermediate scattering function for a mesoscopic model of a single, anisotropic active Brownian particle in three dimensions. The mean-square displacement and the non-Gaussian parameter of the stochastic process are obtained as derivatives of the intermediate scattering function. These display different temporal regimes dominated by effective diffusion and directed motion due to the interplay of translational and rotational diffusion which is rationalized within the theory. The most prominent feature of the intermediate scattering function is an oscillatory behavior at intermediate wavenumbers reflecting the persistent swimming motion, whereas at small length scales bare translational and at large length scales an enhanced effective diffusion emerges. We anticipate that our characterization of the motion of active agents will serve as a reference for more realistic models and experimental observations.

Intermediate scattering function of an anisotropic active Brownian particle

NASA Astrophysics Data System (ADS)

Kurzthaler, Christina; Leitmann, Sebastian; Franosch, Thomas

2016-10-01

Various challenges are faced when animalcules such as bacteria, protozoa, algae, or sperms move autonomously in aqueous media at low Reynolds number. These active agents are subject to strong stochastic fluctuations, that compete with the directed motion. So far most studies consider the lowest order moments of the displacements only, while more general spatio-temporal information on the stochastic motion is provided in scattering experiments. Here we derive analytically exact expressions for the directly measurable intermediate scattering function for a mesoscopic model of a single, anisotropic active Brownian particle in three dimensions. The mean-square displacement and the non-Gaussian parameter of the stochastic process are obtained as derivatives of the intermediate scattering function. These display different temporal regimes dominated by effective diffusion and directed motion due to the interplay of translational and rotational diffusion which is rationalized within the theory. The most prominent feature of the intermediate scattering function is an oscillatory behavior at intermediate wavenumbers reflecting the persistent swimming motion, whereas at small length scales bare translational and at large length scales an enhanced effective diffusion emerges. We anticipate that our characterization of the motion of active agents will serve as a reference for more realistic models and experimental observations.

The Role of Binding Site on the Mechanical Unfolding Mechanism of Ubiquitin

NASA Astrophysics Data System (ADS)

Cao, Penghui; Yoon, Gwonchan; Tao, Weiwei; Eom, Kilho; Park, Harold S.

2015-03-01

We apply novel atomistic simulations based on potential energy surface exploration to investigate the constant force-induced unfolding of ubiquitin. At the experimentally-studied force clamping level of 100 pN, we find a new unfolding mechanism starting with the detachment between β5 and β3 involving the binding site of ubiquitin, the Ile44 residue. This new unfolding pathway leads to the discovery of new intermediate configurations, which correspond to the end-to-end extensions previously seen experimentally. More importantly, it demonstrates the novel finding that the binding site of ubiquitin can be responsible not only for its biological functions, but also its unfolding dynamics. We also report in contrast to previous single molecule constant force experiments that when the clamping force becomes smaller than about 300 pN, the number of intermediate configurations increases dramatically, where almost all unfolding events at 100 pN involve an intermediate configuration. By directly calculating the life times of the intermediate configurations from the height of the barriers that were crossed on the potential energy surface, we demonstrate that these intermediate states were likely not observed experimentally due to their lifetimes typically being about two orders of magnitude smaller than the experimental temporal resolution.

The interstellar depletion mystery, or where have all those atoms gone. [cosmic abundance as grain model evidence

NASA Technical Reports Server (NTRS)

Greenberg, J. M.

1974-01-01

The observed depletion of intermediate-weight elements O, C, and N from the interstellar medium is shown to be significantly greater than can be accounted for by accretion on interstellar dust. A number of possible explanations are presented, ranging from the existence in interstellar space of many 'snowballs' intermediate in size between dust grains and comets to the existence of many far more complicated interstellar molecules than have been detected.

Comparative TEA for Indirect Liquefaction Pathways to Distillate-Range Fuels via Oxygenated Intermediates

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

Tan, Eric; Snowden-Swan, Lesley J.; Talmadge, Michael

This paper presents a comparative techno-economic analysis of five conversion pathways from biomass to gasoline-, jet-, and diesel-range hydrocarbons via indirect liquefaction with specific focus on pathways utilizing oxygenated intermediates (derived either via thermochemical or biochemical conversion steps). The four emerging pathways of interest are compared with one conventional pathway (Fischer-Tropsch) for the production of the hydrocarbon blendstocks. The processing steps of the four emerging pathways include: biomass-to-syngas via indirect gasification, gas cleanup, conversion of syngas to alcohols/oxygenates, followed by conversion of alcohols/oxygenates to hydrocarbon blendstocks via dehydration, oligomerization, and hydrogenation. We show that the emerging pathways via oxygenated intermediatesmore » have the potential to be cost competitive with the conventional Fischer-Tropsch process. The evaluated pathways and the benchmark process generally exhibit similar fuel yields and carbon conversion efficiencies. The resulting minimum fuel selling prices are comparable to the benchmark at approximately $3.60 per gallon-gasoline equivalent, with potential for two new pathways to be more economically competitive. Additionally, the coproduct values can play an important role in the economics of the processes with oxygenated intermediates derived via syngas fermentation. Major cost drivers for the integrated processes are tied to achievable fuel yields and conversion efficiency of the intermediate steps, i.e., the production of oxygenates/alcohols from syngas and the conversion of oxygenates/alcohols to hydrocarbon fuels.« less

Diffraction of electrons at intermediate energies

NASA Astrophysics Data System (ADS)

Ascolani, H.; Barrachina, R. O.; Guraya, M. M.; Zampieri, G.

1992-08-01

We present a theory of the elastic scattering of electrons from crystalline surfaces that contains both low-energy-electron-diffraction (LEED) effects at low energies and x-ray-photoelectron- and Auger-electron-diffraction (XPD/AED) effects at intermediate energies. The theory is based on a cluster-type approach to the scattering problem and includes temperature effects. The transition from one regime to the other may be explained as follows: At low energies all the scattered waves add coherently, and the intensity is dominated by LEED effects. At intermediate energies the thermal vibration of the atoms destroys the long-range coherency responsible for the LEED peaks, but affects little the interference of those waves that share parts of their paths inside the solid. Thus, the interference of these waves comes to dominate the intensity, giving rise to structures similar to those observed in XPD/AED experiments. We perform a calculation of the elastic reflection of electrons from Cu(001) that is in good agreement with the experiment in the range 200-1500 eV. At low energies the intensity is dominated by LEED peaks; at 400 eV LEED peaks and XPD/AED structures coexist; and above this energy the intensity is dominated by the latter. We analyze the contributions to the intensity at intermediate energies of the interferences in the incoming and outgoing parts of the electron path.

Coexistence and limiting similarity of consumer species competing for a linear array of resources.

PubMed

Abrams, Peter A; Rueffler, Claus

2009-03-01

Consumer-resource systems with linear arrays of substitutable resources form the conceptual basis of much of present-day competition theory. However, most analyses of the limiting similarity of competitors have only employed consumer-resource models as a justification for using the Lotka-Volterra competition equations to represent the interaction. Unfortunately, Lotka-Volterra models cannot reflect resource exclusion via apparent competition and are poor approximations of systems with nonlogistic resource growth. We use consumer-resource models to examine the impact of exclusion of biotic resources or depletion of abiotic resources on the ability of three consumer species to coexist along a one-dimensional resource axis. For a wide range of consumer-resource models, coexistence conditions can become more restrictive with increasing niche separation of the two outer species. This occurs when the outer species are highly efficient; in this case they cause extinction or severe depletion of intermediate resources when their own niches have an intermediate level of separation. In many cases coexistence of an intermediate consumer species is prohibited when niche separation of the two outer species is moderately large, but not when it is small. Coexistence may be most likely when the intermediate species is closer to one of the two outer species, contrary to previous theory. These results suggest that competition may lead to uneven spacing of utilization curves. The implications and range of applicability of the models are discussed.

Two-potential approach for electron-molecular collisions at intermediate and high energies - Application to e-N2 scatterings

NASA Technical Reports Server (NTRS)

Choi, B. H.; Poe, R. T.; Sun, J. C.; Shan, Y.

1979-01-01

A general theoretical approach is proposed for the calculation of elastic, vibrational, and rotational transitions for electron-molecule scattering at intermediate and high-electron-impact energies. In this formulation, contributions to the scattering process come from the incoherent sum of two dominant potentials: a short-range shielded nuclear Coulomb potential from individual atomic centers, and a permanent/induced long-range potential. Application to e-N2 scattering from 50-500 eV incident electron energies has yielded good agreement with absolutely calibrated experiments. Comparisons with other theoretical approaches are made. The physical picture as well as the general features of electron-molecule scattering process are discussed within the framework of the two-potential approach.

24 CFR 232.595 - Eligibility of title.

Code of Federal Regulations, 2011 CFR

2011-04-01

... MORTGAGE INSURANCE FOR NURSING HOMES, INTERMEDIATE CARE FACILITIES, BOARD AND CARE HOMES, AND ASSISTED... Fire Safety Equipment Title § 232.595 Eligibility of title. In order for the property which is to be...

Photochemical behavior of fenpropathrin and λ-cyhalothrin in solution.

PubMed

Liu, P Y; Li, B; Liu, H D; Tian, L

2014-02-01

The photodegradation processes of fenpropathrin and λ-cyhalothrin were studied in hexane, methanol/water (1:1, v/v), and acetone in both ultraviolet light and simulated sunlight. Intermediates in the photodegradation process were identified using gas chromatography/mass spectrometry (GC/MS), and the analysis of intermediates was used to speculate on possible photodegradation pathways. The photodegradation processes of fenpropathrin and λ-cyhalothrin followed pseudo first-order kinetics. The photodegradation rates varied according to the solvent in decreasing order: hexane>methanol/water (1:1, v/v)>acetone. The effects of substances coexisting in the environment on the photodegradation of pyrethroids were also investigated in the research. Acetone, humic acid, and riboflavin increased photodegradation rates while L-ascorbic acid slowed the process. This study provides a theoretical basis for the removal of pyrethroid pollution from the natural environment.

Photovoltaic conversion efficiency of InN/InxGa1-xN quantum dot intermediate band solar cells

NASA Astrophysics Data System (ADS)

Ben Afkir, N.; Feddi, E.; Dujardin, F.; Zazoui, M.; Meziane, J.

2018-04-01

The behavior of InN/InxGa1-xN spherical quantum dots solar cell is investigated, considering the internal electric field induced by the polarization of the junction. In order to determine the position of the intermediate band (IB), we present an efficient numerical technique based on difference finite method to solve the 3D time-independent Schrödinger's equation in spherical coordinates. The resultant n × n Hamiltonian matrix when considering n discrete points in spatial direction is diagonalized in order to calculate energy levels. Thus, the interband and intersubband transitions are determined, taking into consideration the effect of the internal electric field, size dots, interdot distances, and indium content on the energy levels, optical transition, photo-generated current density, open-circuit voltage and power conversion efficiency of the QD-IBSCs.

75 FR 52039 - Biweekly Notice Applications and Amendments to Facility Operating Licenses Involving No...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-24

... modifications which would replace the existing source range and intermediate range excore detector systems with... excore detector systems with equivalent neutron monitoring systems. The new instrumentation will perform... the design earthquake, the double design earthquake, the Hosgri earthquake, and the loss-of-coolant...

Large structural modulations in the relaxor ferroelectric and intermediate state of strontium rich members (x>0.6) of the Sr{sub x}Ba{sub 1−x}Nb{sub 2}O{sub 6} (sbn) solid solution series

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

Graetsch, H.A., E-mail: heribert.graetsch@rub.de

The amplitudes of the positional, occupational and adp modulations of sbn mixed crystals are strongly enhanced for high strontium contents. The increase of structural modulations is accompanied by reduced spontaneous electric polarization largely due to smaller off-center shifts of the niobium atoms. Beyond the room temperature ferroelectric – intermediate transition near x=0.77, anomal large U{sub 33} atomic displacement parameters of the niobium atoms indicate static disorder caused by loss of orientational coupling between residual shifts of Nb atoms in neighboring NbO{sub 6} octahedra. Change of satellite intensities show a reduction from two-dimensional to one-dimensional modulation which is not consistent withmore » tetragonal symmetry. The pseudo-tetragonally twinned crystal structure of sbn82 was refined in the orthorhombic super-space group A2mm(½0γ)000. The apparent tetragonal symmetry of the other investigated sbn samples also seems to be due to pseudo tetragonal twinning with equal twin volumes. The modulations mainly consist of cooperatively tilted NbO{sub 6} octahedra and wave-like ordered incomplete occupation of the largest cation sites (Me2a and b) by Ba{sup 2+} and Sr{sup 2+}. Furthermore, the atomic displacement parameters of the Me2 sites are strongly modulated. - Graphical abstract: Satellite reflections and modulation coefficients in the solid solution series Sr{sub x}Ba{sub 1−x}Nb{sub 2}O{sub 6}. - Highlights: • The modulationed structures are refined for the whole composition range of sbn32–sbn82 in tetragonal and orthorhombic setting. • The amplitudes of positional, occupational and adp modulations increase strongly with the strontium content. • Evidence is presented that the sbn crystals are pseudo tetragonally twinned. • The ferroelectric–intermediate paraelectric transition is not accompanied by a change of symmetry. • Anomal adp of intermediate (non-ferroelectric) sbn82 indicate loss of coupling between off-center shifts of neighboring niobium.« less

VizieR Online Data Catalog: Adiabatic mass loss in binary stars. II. (Ge+, 2015)

NASA Astrophysics Data System (ADS)

Ge, H.; Webbink, R. F.; Chen, X.; Han, Z.

2016-02-01

In the limit of extremely rapid mass transfer, the response of a donor star in an interacting binary becomes asymptotically one of adiabatic expansion. We survey here adiabatic mass loss from Population I stars (Z=0.02) of mass 0.10M⊙-100M⊙ from the zero-age main sequence to the base of the giant branch, or to central hydrogen exhaustion for lower main sequence stars. The logarithmic derivatives of radius with respect to mass along adiabatic mass-loss sequences translate into critical mass ratios for runaway (dynamical timescale) mass transfer, evaluated here under the assumption of conservative mass transfer. For intermediate- and high-mass stars, dynamical mass transfer is preceded by an extended phase of thermal timescale mass transfer as the star is stripped of most of its envelope mass. The critical mass ratio qad (throughout this paper, we follow the convention of defining the binary mass ratio as q{equiv}Mdonor/Maccretor) above which this delayed dynamical instability occurs increases with advancing evolutionary age of the donor star, by ever-increasing factors for more massive donors. Most intermediate- or high-mass binaries with nondegenerate accretors probably evolve into contact before manifesting this instability. As they approach the base of the giant branch, however, and begin developing a convective envelope, qad plummets dramatically among intermediate-mass stars, to values of order unity, and a prompt dynamical instability occurs. Among low-mass stars, the prompt instability prevails throughout main sequence evolution, with qad declining with decreasing mass, and asymptotically approaching qad=2/3, appropriate to a classical isentropic n=3/2 polytrope. Our calculated qad values agree well with the behavior of time-dependent models by Chen & Han (2003MNRAS.341..662C) of intermediate-mass stars initiating mass transfer in the Hertzsprung gap. Application of our results to cataclysmic variables, as systems that must be stable against rapid mass transfer, nicely circumscribes the range in qad as a function of the orbital period in which they are found. These results are intended to advance the verisimilitude of population synthesis models of close binary evolution. (3 data files).

Measurements of intermediate-frequency electric and magnetic fields in households

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

Aerts, Sam, E-mail: sam.aerts@intec.ugent.be

Historically, assessment of human exposure to electric and magnetic fields has focused on the extremely-low-frequency (ELF) and radiofrequency (RF) ranges. However, research on the typically emitted fields in the intermediate-frequency (IF) range (300 Hz to 1 MHz) as well as potential effects of IF fields on the human body remains limited, although the range of household appliances with electrical components working in the IF range has grown significantly (e.g., induction cookers and compact fluorescent lighting). In this study, an extensive measurement survey was performed on the levels of electric and magnetic fields in the IF range typically present in residencesmore » as well as emitted by a wide range of household appliances under real-life circumstances. Using spot measurements, residential IF field levels were found to be generally low, while the use of certain appliances at close distance (20 cm) may result in a relatively high exposure. Overall, appliance emissions contained either harmonic signals, with fundamental frequencies between 6 kHz and 300 kHz, which were sometimes accompanied by regions in the IF spectrum of rather noisy, elevated field strengths, or much more capricious spectra, dominated by 50 Hz harmonics emanating far in the IF domain. The maximum peak field strengths recorded at 20 cm were 41.5 V/m and 2.7 A/m, both from induction cookers. Finally, none of the appliance emissions in the IF range exceeded the exposure summation rules recommended by the International Commission on Non-Ionizing Radiation Protection guidelines and the International Electrotechnical Commission (IEC 62233) standard at 20 cm and beyond (maximum exposure quotients EQ{sub E} 1.0 and {sub E}Q{sub H} 0.13). - Highlights: • Survey of residential electric and magnetic fields at intermediate frequencies (IF). • IF-EF and -MF emitted by 280 household appliances were characterised. • Strongest emitters were induction cookers, CFLs, LCD-TVs, and microwave ovens. • No emissions exceeded ICNIRP limits (highest exposure quotient was 1.00).« less

Hydrolysis and nucleophilic substitution of model and ultimate carcinogens

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

Helmick, J.S.

1992-01-01

The hydrolysis reaction of the Model Carcinogen O-pivaloyl-N-(4-chlorophenyl)hydroxylamine in aqueous buffer (pH 7.0-10.0) proceeds by was of a nitrenium ion intermediate. The products formed from this process are predominately 2,4-dichloroaniline, and 2-hydroxy-4-chloro-pivalanilide. At pH 10-13 the rate becomes dependent upon hydroxide. The product that is formed is 4-chlorophenylhydroxylamine. 4-Chlorophenyl-hydroxylamine is formed by basic ester hydrolysis determined by an [sup 18]O GC-MS experiment. The reaction of O-pivaloyl-N-(4-chlorophenyl)hydroxylamine in an aqueous diethylamine (pH 11.3) buffer gave 4-chlorophenyl-N,N-diethylhydrazine as the substitution product in a 16% yield. The reaction of O-pivaloyl-N-(4-methylphenyl)hydroxylamine with diethylamine gave a 1% yield of the hydrazine product. The reaction ofmore » N,N-dimethylanline and aniline with ring-substituted O-pivaloyl-N-arylhydroxylamines in MeOH generates products of nucleophilic attack on the nitrogen of the hydroxylamine derivative. The hydrolysis of the ultimate carcinogen N-(sulfonatooxy)-N-4-aminobiphenyl proceeds by two consecutive pseudo-first-order processes and generates predominately a product of nucleophilic attack by chloride ion at the ortho position of the aromatic ring. A labile intermediate identified as N-acetypl-4-hydroxy-4-phenyl-2,5-cyclohexadienone imine has been detected by NMR. This intermediate rearranges to form 4-hydroxy-3-phenylacetanilide. The hydrolysis of N-benzoyl-4-hydroxy-4-hydroxy-4-phenyl-2,5-cyclohexadienone imine proceeds by way of two consecutive pseudo-first-order processes. The hydrolysis of N-benzoyl-4-methoxy-4-phenyl-2,5-cyclohexadienone imine also proceeds by two consecutive pseudo-first-order processes. Spectroscopic evidence of two diastereomeric intermediates formed from the hydrolysis of the N-benzoyl imines were tentatively identified as N-benzoyl-N-hydroxy-4-hydroxy-4-phenyl-2,5-cyclohexadienone imine.« less

Environmental factors affecting benthic macrofauna along a gradient of intermediate sandy beaches in northern Spain

NASA Astrophysics Data System (ADS)

Rodil, I. F.; Lastra, M.

2004-09-01

Ten sandy beaches along the north coast of Spain were studied during September 1999 to analyse the number of species, abundance and biomass of macroinfauna along a gradient of intermediate beach types and exposure range. Faunal samples were collected with metallic cylinders (25 cm diameter, 15 cm depth) at 10 equally spaced shore levels along six replicated transects separated randomly and extending from above the drift line to the low tide swash zone. Exposure rate, Dean's parameter ( Ω), beach state index (BSI) and relative tidal range (RTR) were estimated at each beach. Length and width of the beach, intertidal slope, sorting and median grain size and also swash amplitude and wave characteristics were measured. The number of species was between 10 and 29. Macrofaunal abundances ranged between 4962 and 71,228 ind. linear m -1 and between 31 and 329 ind. m -2, while biomass (ash free dry weight) ranged between 0.027 and 0.278 g m -2 and between 3 and 61 g linear m -1. The results show some significant trends: the number of species is the biotic variable most affected by physical and morphodynamic factors, increasing linearly with relative tidal range and decreasing with increasing average grain size. The same trend was observed from exposed to very exposed beaches and the biomass decreased exponentially with increasing average grain size. These trends agree with previous studies in different coasts in the world where coarse sands limit the benthic macrofauna. The morphodynamic parameters as Dean's parameter or Beach State Index did not show a predictive value. The results suggest that different characteristics of benthic macrofauna communities in intermediate beaches can be affected in different ways by the physical processes involved in beach morphodynamics.

Human molecular cytogenetics: From cells to nucleotides

PubMed Central

Riegel, Mariluce

2014-01-01

The field of cytogenetics has focused on studying the number, structure, function and origin of chromosomal abnormalities and the evolution of chromosomes. The development of fluorescent molecules that either directly or via an intermediate molecule bind to DNA has led to the development of fluorescent in situ hybridization (FISH), a technology linking cytogenetics to molecular genetics. This technique has a wide range of applications that increased the dimension of chromosome analysis. The field of cytogenetics is particularly important for medical diagnostics and research as well as for gene ordering and mapping. Furthermore, the increased application of molecular biology techniques, such as array-based technologies, has led to improved resolution, extending the recognized range of microdeletion/microduplication syndromes and genomic disorders. In adopting these newly expanded methods, cytogeneticists have used a range of technologies to study the association between visible chromosome rearrangements and defects at the single nucleotide level. Overall, molecular cytogenetic techniques offer a remarkable number of potential applications, ranging from physical mapping to clinical and evolutionary studies, making a powerful and informative complement to other molecular and genomic approaches. This manuscript does not present a detailed history of the development of molecular cytogenetics; however, references to historical reviews and experiments have been provided whenever possible. Herein, the basic principles of molecular cytogenetics, the technologies used to identify chromosomal rearrangements and copy number changes, and the applications for cytogenetics in biomedical diagnosis and research are presented and discussed. PMID:24764754

Hydraulic Conductivity Calibration of Logging NMR in a Granite Aquifer, Laramie Range, Wyoming.

PubMed

Ren, Shuangpo; Parsekian, Andrew D; Zhang, Ye; Carr, Bradley J

2018-05-15

In granite aquifers, fractures can provide both storage volume and conduits for groundwater. Characterization of fracture hydraulic conductivity (K) in such aquifers is important for predicting flow rate and calibrating models. Nuclear magnetic resonance (NMR) well logging is a method to quickly obtain near-borehole hydraulic conductivity (i.e., K NMR ) at high-vertical resolution. On the other hand, FLUTe flexible liner technology can produce a K profile at comparable resolution but requires a fluid driving force between borehole and formation. For three boreholes completed in a fractured granite, we jointly interpreted logging NMR data and FLUTe K estimates to calibrate an empirical equation for translating borehole NMR data to K estimates. For over 90% of the depth intervals investigated from these boreholes, the estimated K NMR are within one order of magnitude of K FLUTe . The empirical parameters obtained from calibrating the NMR data suggest that "intermediate diffusion" and/or "slow diffusion" during the NMR relaxation time may occur in the flowing fractures when hydraulic aperture are sufficiently large. For each borehole, "intermediate diffusion" dominates the relaxation time, therefore assuming "fast diffusion" in the interpretation of NMR data from fractured rock may lead to inaccurate K NMR estimates. We also compare calibrations using inexpensive slug tests that suggest reliable K NMR estimates for fractured rock may be achieved using limited calibration against borehole hydraulic measurements. © 2018, National Ground Water Association.

2D Bayesian automated tilted-ring fitting of disc galaxies in large H I galaxy surveys: 2DBAT

NASA Astrophysics Data System (ADS)

Oh, Se-Heon; Staveley-Smith, Lister; Spekkens, Kristine; Kamphuis, Peter; Koribalski, Bärbel S.

2018-01-01

We present a novel algorithm based on a Bayesian method for 2D tilted-ring analysis of disc galaxy velocity fields. Compared to the conventional algorithms based on a chi-squared minimization procedure, this new Bayesian-based algorithm suffers less from local minima of the model parameters even with highly multimodal posterior distributions. Moreover, the Bayesian analysis, implemented via Markov Chain Monte Carlo sampling, only requires broad ranges of posterior distributions of the parameters, which makes the fitting procedure fully automated. This feature will be essential when performing kinematic analysis on the large number of resolved galaxies expected to be detected in neutral hydrogen (H I) surveys with the Square Kilometre Array and its pathfinders. The so-called 2D Bayesian Automated Tilted-ring fitter (2DBAT) implements Bayesian fits of 2D tilted-ring models in order to derive rotation curves of galaxies. We explore 2DBAT performance on (a) artificial H I data cubes built based on representative rotation curves of intermediate-mass and massive spiral galaxies, and (b) Australia Telescope Compact Array H I data from the Local Volume H I Survey. We find that 2DBAT works best for well-resolved galaxies with intermediate inclinations (20° < i < 70°), complementing 3D techniques better suited to modelling inclined galaxies.

Rapid kinetics of dehalogenation promoted by iodotyrosine deiodinase from human thyroid.

PubMed

Bobyk, Kostyantyn D; Ballou, David P; Rokita, Steven E

2015-07-28

Reductive dehalogenation such as that catalyzed by iodotyrosine deiodinase (IYD) is highly unusual in aerobic organisms but necessary for iodide salvage from iodotyrosine generated during thyroxine biosynthesis. Equally unusual is the dependence of this process on flavin. Rapid kinetics have now been used to define the basic processes involved in IYD catalysis. Time-dependent quenching of flavin fluorescence was used to monitor halotyrosine association to IYD. The substrates chloro-, bromo-, and iodotyrosine bound with similar rate constants (kon) ranging from 1.3 × 10(6) to 1.9 × 10(6) M(-1) s(-1). Only the inert substrate analogue fluorotyrosine exhibited a significantly (5-fold) slower kon (0.3 × 10(6) M(-1) s(-1)). All data fit a standard two-state model and indicated that no intermediate complex accumulated during closure of the active site lid induced by substrate. Subsequent halide elimination does not appear to limit reactions of bromo- and iodotyrosine since both fully oxidized the reduced enzyme with nearly equivalent second-order rate constants (7.3 × 10(3) and 8.6 × 10(3) M(-1) s(-1), respectively) despite the differing strength of their carbon-halogen bonds. In contrast to these substrates, chlorotyrosine reacted with the reduced enzyme approximately 20-fold more slowly and revealed a spectral intermediate that formed at approximately the same rate as the bromo- and iodotyrosine reactions.

Rapid Kinetics of Dehalogenation Promoted by Iodotyrosine Deiodinase from Human Thyroid

PubMed Central

2015-01-01

Reductive dehalogenation such as that catalyzed by iodotyrosine deiodinase (IYD) is highly unusual in aerobic organisms but necessary for iodide salvage from iodotyrosine generated during thyroxine biosynthesis. Equally unusual is the dependence of this process on flavin. Rapid kinetics have now been used to define the basic processes involved in IYD catalysis. Time-dependent quenching of flavin fluorescence was used to monitor halotyrosine association to IYD. The substrates chloro-, bromo-, and iodotyrosine bound with similar rate constants (kon) ranging from 1.3 × 106 to 1.9 × 106 M–1 s–1. Only the inert substrate analogue fluorotyrosine exhibited a significantly (5-fold) slower kon (0.3 × 106 M–1 s–1). All data fit a standard two-state model and indicated that no intermediate complex accumulated during closure of the active site lid induced by substrate. Subsequent halide elimination does not appear to limit reactions of bromo- and iodotyrosine since both fully oxidized the reduced enzyme with nearly equivalent second-order rate constants (7.3 × 103 and 8.6 × 103 M–1 s–1, respectively) despite the differing strength of their carbon–halogen bonds. In contrast to these substrates, chlorotyrosine reacted with the reduced enzyme approximately 20-fold more slowly and revealed a spectral intermediate that formed at approximately the same rate as the bromo- and iodotyrosine reactions. PMID:26151430

Does sex matter? Temporal and spatial patterns of cougar-human conflict in British Columbia.

PubMed

Teichman, Kristine J; Cristescu, Bogdan; Nielsen, Scott E

2013-01-01

Wildlife-human conflicts occur wherever large carnivores overlap human inhabited areas. Conflict mitigation can be facilitated by understanding long-term dynamics and examining sex-structured conflict patterns. Predicting areas with high probability of conflict helps focus management strategies in order to proactively decrease carnivore mortality. We investigated the importance of cougar (Puma concolor) habitat, human landscape characteristics and the combination of habitat and human features on the temporal and spatial patterns of cougar-human conflicts in British Columbia. Conflicts (n = 1,727; 1978-2007) involved similar numbers of male and female cougars with conflict rate decreasing over the past decade. Conflicts were concentrated within the southern part of the province with the most conflicts per unit area occurring on Vancouver Island. For both sexes, the most supported spatial models for the most recent (1998-2007) conflicts contained both human and habitat variables. Conflicts were more likely to occur close to roads, at intermediate elevations and far from the northern edge of the cougar distribution range in British Columbia. Male cougar conflicts were more likely to occur in areas of intermediate human density. Unlike cougar conflicts in other regions, cattle density was not a significant predictor of conflict location. With human populations expanding, conflicts are expected to increase. Conservation tools, such as the maps predicting conflict hotspots from this study, can help focus management efforts to decrease carnivore-human conflict.

Interpretation of frequency modulation atomic force microscopy in terms of fractional calculus

NASA Astrophysics Data System (ADS)

Sader, John E.; Jarvis, Suzanne P.

2004-07-01

It is widely recognized that small amplitude frequency modulation atomic force microscopy probes the derivative of the interaction force between tip and sample. For large amplitudes, however, such a physical connection is currently lacking, although it has been observed that the frequency shift presents a quantity intermediate to the interaction force and energy for certain force laws. Here we prove that these observations are a universal property of large amplitude frequency modulation atomic force microscopy, by establishing that the frequency shift is proportional to the half-fractional integral of the force, regardless of the force law. This finding indicates that frequency modulation atomic force microscopy can be interpreted as a fractional differential operator, where the order of the derivative/integral is dictated by the oscillation amplitude. We also establish that the measured frequency shift varies systematically from a probe of the force gradient for small oscillation amplitudes, through to the measurement of a quantity intermediate to the force and energy (the half-fractional integral of the force) for large oscillation amplitudes. This has significant implications to measurement sensitivity, since integrating the force will smooth its behavior, while differentiating it will enhance variations. This highlights the importance in choice of oscillation amplitude when wishing to optimize the sensitivity of force spectroscopy measurements to short-range interactions and consequently imaging with the highest possible resolution.

Aerodynamic database development of the ESA intermediate experimental vehicle

NASA Astrophysics Data System (ADS)

Pezzella, Giuseppe; Marino, Giuliano; Rufolo, Giuseppe C.

2014-01-01

This work deals with the aerodynamic database development of the Intermediate Experiment Vehicle. The aerodynamic analysis, carried out for the whole flight scenario, relies on computational fluid dynamics, wind tunnel test, and engineering-based design data generated during the project phases, from rarefied flow conditions, to hypersonic continuum flow up to reach subsonic speeds regime. Therefore, the vehicle aerodynamic database covers the range of Mach number, angle of attack, sideslip and control surface deflections foreseen for the vehicle nominal re-entry. In particular, the databasing activities are developed in the light of build-up approach. This means that all aerodynamic force and moment coefficients are provided by means of a linear summation over certain number of incremental contributions such as, for example, effect of sideslip angle, aerodynamic control surface effectiveness, etc. Each force and moment coefficient is treated separately and appropriate equation is provided, in which all the pertinent contributions for obtaining the total coefficient for any selected flight conditions appear. To this aim, all the available numerical and experimental aerodynamic data are gathered in order to explicit the functional dependencies from each aerodynamic model addend through polynomial expressions obtained with the least squares method. These polynomials are function of the primary variable that drives the phenomenon whereas secondary dependencies are introduced directly into its unknown coefficients which are determined by means of best-fitting algorithms.

Detection of Intermediate-Period Transiting Planets with a Network of Small Telescopes: transitsearch.org

NASA Astrophysics Data System (ADS)

Seagroves, Scott; Harker, Justin; Laughlin, Gregory; Lacy, Justin; Castellano, Tim

2003-12-01

We describe a project (transitsearch.org) currently attempting to discover transiting intermediate-period planets orbiting bright parent stars, and we simulate that project's performance. The discovery of such a transit would be an important astronomical advance, bridging the critical gap in understanding between HD 209458b and Jupiter. However, the task is made difficult by intrinsically low transit probabilities and small transit duty cycles. This project's efficient and economical strategy is to photometrically monitor stars that are known (from radial velocity surveys) to bear planets, using a network of widely spaced observers with small telescopes. These observers, each individually capable of precision (1%) differential photometry, monitor candidates during the time windows in which the radial velocity solution predicts a transit if the orbital inclination is close to 90°. We use Monte Carlo techniques to simulate the performance of this network, performing simulations with different configurations of observers in order to optimize coordination of an actual campaign. Our results indicate that transitsearch.org can reliably rule out or detect planetary transits within the current catalog of known planet-bearing stars. A distributed network of skilled amateur astronomers and small college observatories is a cost-effective method for discovering the small number of transiting planets with periods in the range 10 days

Effects of the impurity-host interactions on the nonradiative processes in ZnS:Cr

NASA Astrophysics Data System (ADS)

Tablero, C.

2010-11-01

There is a great deal of controversy about whether the behavior of an intermediate band in the gap of semiconductors is similar or not to the deep-gap levels. It can have significant consequences, for example, on the nonradiative recombination. In order to analyze the behavior of an intermediate band, we have considered the effect of the inward and outward displacements corresponding to breathing and longitudinal modes of Cr-doped ZnS and on the charge density for different processes involved in the nonradiative recombination using first-principles. This metal-doped zinc chalcogenide has a partially filled band within the host semiconductor gap. In contrast to the properties exhibited by deep-gap levels in other systems, we find small variations in the equilibrium configurations, forces, and electronic density around the Cr when the nonradiative recombination mechanisms modify the intermediate band charge. The charge density around the impurity is equilibrated in response to the perturbations in the equilibrium nuclear configuration and the charge of the intermediate band. The equilibration follows a Le Chatelier principle through the modification of the contribution from the impurity to the intermediate band and to the valence band. The intermediate band introduced by Cr in ZnS for the concentrations analyzed makes the electronic capture difficult and later multiphonon emission in the charge-transfer processes, in accordance with experimental results.

Search for gravitational waves from intermediate mass binary black holes

NASA Astrophysics Data System (ADS)

Abadie, J.; Abbott, B. P.; Abbott, R.; Abbott, T. D.; Abernathy, M.; Accadia, T.; Acernese, F.; Adams, C.; Adhikari, R.; Affeldt, C.; Agathos, M.; Agatsuma, K.; Ajith, P.; Allen, B.; Amador Ceron, E.; Amariutei, D.; Anderson, S. B.; Anderson, W. G.; Arai, K.; Arain, M. A.; Araya, M. C.; Aston, S. M.; Astone, P.; Atkinson, D.; Aufmuth, P.; Aulbert, C.; Aylott, B. E.; Babak, S.; Baker, P.; Ballardin, G.; Ballmer, S.; Barayoga, J. C. B.; Barker, D.; Barone, F.; Barr, B.; Barsotti, L.; Barsuglia, M.; Barton, M. A.; Bartos, I.; Bassiri, R.; Bastarrika, M.; Basti, A.; Batch, J.; Bauchrowitz, J.; Bauer, Th. S.; Bebronne, M.; Beck, D.; Behnke, B.; Bejger, M.; Beker, M. G.; Bell, A. S.; Belletoile, A.; Belopolski, I.; Benacquista, M.; Berliner, J. M.; Bertolini, A.; Betzwieser, J.; Beveridge, N.; Beyersdorf, P. T.; Bilenko, I. A.; Billingsley, G.; Birch, J.; Biswas, R.; Bitossi, M.; Bizouard, M. A.; Black, E.; Blackburn, J. K.; Blackburn, L.; Blair, D.; Bland, B.; Blom, M.; Bock, O.; Bodiya, T. P.; Bogan, C.; Bondarescu, R.; Bondu, F.; Bonelli, L.; Bonnand, R.; Bork, R.; Born, M.; Boschi, V.; Bose, S.; Bosi, L.; Bouhou, B.; Braccini, S.; Bradaschia, C.; Brady, P. R.; Braginsky, V. B.; Branchesi, M.; Brau, J. E.; Breyer, J.; Briant, T.; Bridges, D. O.; Brillet, A.; Brinkmann, M.; Brisson, V.; Britzger, M.; Brooks, A. F.; Brown, D. A.; Bulik, T.; Bulten, H. J.; Buonanno, A.; Burguet-Castell, J.; Buskulic, D.; Buy, C.; Byer, R. L.; Cadonati, L.; Cagnoli, G.; Calloni, E.; Camp, J. B.; Campsie, P.; Cannizzo, J.; Cannon, K.; Canuel, B.; Cao, J.; Capano, C. D.; Carbognani, F.; Carbone, L.; Caride, S.; Caudill, S.; Cavaglià, M.; Cavalier, F.; Cavalieri, R.; Cella, G.; Cepeda, C.; Cesarini, E.; Chaibi, O.; Chalermsongsak, T.; Charlton, P.; Chassande-Mottin, E.; Chelkowski, S.; Chen, W.; Chen, X.; Chen, Y.; Chincarini, A.; Chiummo, A.; Cho, H.; Chow, J.; Christensen, N.; Chua, S. S. Y.; Chung, C. T. Y.; Chung, S.; Ciani, G.; Clara, F.; Clark, D. E.; Clark, J.; Clayton, J. H.; Cleva, F.; Coccia, E.; Cohadon, P.-F.; Colacino, C. N.; Colas, J.; Colla, A.; Colombini, M.; Conte, A.; Conte, R.; Cook, D.; Corbitt, T. R.; Cordier, M.; Cornish, N.; Corsi, A.; Costa, C. A.; Coughlin, M.; Coulon, J.-P.; Couvares, P.; Coward, D. M.; Cowart, M.; Coyne, D. C.; Creighton, J. D. E.; Creighton, T. D.; Cruise, A. M.; Cumming, A.; Cunningham, L.; Cuoco, E.; Cutler, R. M.; Dahl, K.; Danilishin, S. L.; Dannenberg, R.; D'Antonio, S.; Danzmann, K.; Dattilo, V.; Daudert, B.; Daveloza, H.; Davier, M.; Daw, E. J.; Day, R.; Dayanga, T.; De Rosa, R.; DeBra, D.; Debreczeni, G.; Del Pozzo, W.; del Prete, M.; Dent, T.; Dergachev, V.; DeRosa, R.; DeSalvo, R.; Dhurandhar, S.; Di Fiore, L.; Di Lieto, A.; Di Palma, I.; Di Paolo Emilio, M.; Di Virgilio, A.; Díaz, M.; Dietz, A.; Donovan, F.; Dooley, K. L.; Drago, M.; Drever, R. W. P.; Driggers, J. C.; Du, Z.; Dumas, J.-C.; Dwyer, S.; Eberle, T.; Edgar, M.; Edwards, M.; Effler, A.; Ehrens, P.; Endrőczi, G.; Engel, R.; Etzel, T.; Evans, K.; Evans, M.; Evans, T.; Factourovich, M.; Fafone, V.; Fairhurst, S.; Fan, Y.; Farr, B. F.; Fazi, D.; Fehrmann, H.; Feldbaum, D.; Feroz, F.; Ferrante, I.; Fidecaro, F.; Finn, L. S.; Fiori, I.; Fisher, R. P.; Flaminio, R.; Flanigan, M.; Foley, S.; Forsi, E.; Forte, L. A.; Fotopoulos, N.; Fournier, J.-D.; Franc, J.; Frasca, S.; Frasconi, F.; Frede, M.; Frei, M.; Frei, Z.; Freise, A.; Frey, R.; Fricke, T. T.; Friedrich, D.; Fritschel, P.; Frolov, V. V.; Fujimoto, M.-K.; Fulda, P. J.; Fyffe, M.; Gair, J.; Galimberti, M.; Gammaitoni, L.; Garcia, J.; Garufi, F.; Gáspár, M. E.; Gemme, G.; Geng, R.; Genin, E.; Gennai, A.; Gergely, L. Á.; Ghosh, S.; Giaime, J. A.; Giampanis, S.; Giardina, K. D.; Giazotto, A.; Gil, S.; Gill, C.; Gleason, J.; Goetz, E.; Goggin, L. M.; González, G.; Gorodetsky, M. L.; Goßler, S.; Gouaty, R.; Graef, C.; Graff, P. B.; Granata, M.; Grant, A.; Gras, S.; Gray, C.; Gray, N.; Greenhalgh, R. J. S.; Gretarsson, A. M.; Greverie, C.; Grosso, R.; Grote, H.; Grunewald, S.; Guidi, G. M.; Guido, C.; Gupta, R.; Gustafson, E. K.; Gustafson, R.; Ha, T.; Hallam, J. M.; Hammer, D.; Hammond, G.; Hanks, J.; Hanna, C.; Hanson, J.; Harms, J.; Harry, G. M.; Harry, I. W.; Harstad, E. D.; Hartman, M. T.; Haughian, K.; Hayama, K.; Hayau, J.-F.; Heefner, J.; Heidmann, A.; Heintze, M. C.; Heitmann, H.; Hello, P.; Hendry, M. A.; Heng, I. S.; Heptonstall, A. W.; Herrera, V.; Hewitson, M.; Hild, S.; Hoak, D.; Hodge, K. A.; Holt, K.; Holtrop, M.; Hong, T.; Hooper, S.; Hosken, D. J.; Hough, J.; Howell, E. J.; Hughey, B.; Husa, S.; Huttner, S. H.; Huynh-Dinh, T.; Ingram, D. R.; Inta, R.; Isogai, T.; Ivanov, A.; Izumi, K.; Jacobson, M.; James, E.; Jang, Y. J.; Jaranowski, P.; Jesse, E.; Johnson, W. W.; Jones, D. I.; Jones, G.; Jones, R.; Ju, L.; Kalmus, P.; Kalogera, V.; Kandhasamy, S.; Kang, G.; Kanner, J. B.; Kasturi, R.; Katsavounidis, E.; Katzman, W.; Kaufer, H.; Kawabe, K.; Kawamura, S.; Kawazoe, F.; Kelley, D.; Kells, W.; Keppel, D. G.; Keresztes, Z.; Khalaidovski, A.; Khalili, F. Y.; Khazanov, E. A.; Kim, B.; Kim, C.; Kim, H.; Kim, K.; Kim, N.; Kim, Y.-M.; King, P. J.; Kinzel, D. L.; Kissel, J. S.; Klimenko, S.; Kokeyama, K.; Kondrashov, V.; Koranda, S.; Korth, W. Z.; Kowalska, I.; Kozak, D.; Kranz, O.; Kringel, V.; Krishnamurthy, S.; Krishnan, B.; Królak, A.; Kuehn, G.; Kumar, R.; Kwee, P.; Lam, P. K.; Landry, M.; Lantz, B.; Lastzka, N.; Lawrie, C.; Lazzarini, A.; Leaci, P.; Lee, C. H.; Lee, H. K.; Lee, H. M.; Leong, J. R.; Leonor, I.; Leroy, N.; Letendre, N.; Li, J.; Li, T. G. F.; Liguori, N.; Lindquist, P. E.; Liu, Y.; Liu, Z.; Lockerbie, N. A.; Lodhia, D.; Lorenzini, M.; Loriette, V.; Lormand, M.; Losurdo, G.; Lough, J.; Luan, J.; Lubinski, M.; Lück, H.; Lundgren, A. P.; Macdonald, E.; Machenschalk, B.; MacInnis, M.; Macleod, D. M.; Mageswaran, M.; Mailand, K.; Majorana, E.; Maksimovic, I.; Man, N.; Mandel, I.; Mandic, V.; Mantovani, M.; Marandi, A.; Marchesoni, F.; Marion, F.; Márka, S.; Márka, Z.; Markosyan, A.; Maros, E.; Marque, J.; Martelli, F.; Martin, I. W.; Martin, R. M.; Marx, J. N.; Mason, K.; Masserot, A.; Matichard, F.; Matone, L.; Matzner, R. A.; Mavalvala, N.; Mazzolo, G.; McCarthy, R.; McClelland, D. E.; McGuire, S. C.; McIntyre, G.; McIver, J.; McKechan, D. J. A.; McWilliams, S.; Meadors, G. D.; Mehmet, M.; Meier, T.; Melatos, A.; Melissinos, A. C.; Mendell, G.; Mercer, R. A.; Meshkov, S.; Messenger, C.; Meyer, M. S.; Miao, H.; Michel, C.; Milano, L.; Miller, J.; Minenkov, Y.; Mitrofanov, V. P.; Mitselmakher, G.; Mittleman, R.; Miyakawa, O.; Moe, B.; Mohan, M.; Mohanty, S. D.; Mohapatra, S. R. P.; Moraru, D.; Moreno, G.; Morgado, N.; Morgia, A.; Mori, T.; Morriss, S. R.; Mosca, S.; Mossavi, K.; Mours, B.; Mow-Lowry, C. M.; Mueller, C. L.; Mueller, G.; Mukherjee, S.; Mullavey, A.; Müller-Ebhardt, H.; Munch, J.; Murphy, D.; Murray, P. G.; Mytidis, A.; Nash, T.; Naticchioni, L.; Necula, V.; Nelson, J.; Newton, G.; Nguyen, T.; Nishizawa, A.; Nitz, A.; Nocera, F.; Nolting, D.; Normandin, M. E.; Nuttall, L.; Ochsner, E.; O'Dell, J.; Oelker, E.; Ogin, G. H.; Oh, J. J.; Oh, S. H.; O'Reilly, B.; O'Shaughnessy, R.; Osthelder, C.; Ott, C. D.; Ottaway, D. J.; Ottens, R. S.; Overmier, H.; Owen, B. J.; Page, A.; Pagliaroli, G.; Palladino, L.; Palomba, C.; Pan, Y.; Pankow, C.; Paoletti, F.; Papa, M. A.; Parisi, M.; Pasqualetti, A.; Passaquieti, R.; Passuello, D.; Patel, P.; Pedraza, M.; Peiris, P.; Pekowsky, L.; Penn, S.; Perreca, A.; Persichetti, G.; Phelps, M.; Pickenpack, M.; Piergiovanni, F.; Pietka, M.; Pinard, L.; Pinto, I. M.; Pitkin, M.; Pletsch, H. J.; Plissi, M. V.; Poggiani, R.; Pöld, J.; Postiglione, F.; Prato, M.; Predoi, V.; Prestegard, T.; Price, L. R.; Prijatelj, M.; Principe, M.; Privitera, S.; Prix, R.; Prodi, G. A.; Prokhorov, L. G.; Puncken, O.; Punturo, M.; Puppo, P.; Quetschke, V.; Quitzow-James, R.; Raab, F. J.; Rabeling, D. S.; Rácz, I.; Radkins, H.; Raffai, P.; Rakhmanov, M.; Rankins, B.; Rapagnani, P.; Raymond, V.; Re, V.; Redwine, K.; Reed, C. M.; Reed, T.; Regimbau, T.; Reid, S.; Reitze, D. H.; Ricci, F.; Riesen, R.; Riles, K.; Robertson, N. A.; Robinet, F.; Robinson, C.; Robinson, E. L.; Rocchi, A.; Roddy, S.; Rodriguez, C.; Rodruck, M.; Rolland, L.; Rollins, J. G.; Romano, J. D.; Romano, R.; Romie, J. H.; Rosińska, D.; Röver, C.; Rowan, S.; Rüdiger, A.; Ruggi, P.; Ryan, K.; Sainathan, P.; Salemi, F.; Sammut, L.; Sandberg, V.; Sannibale, V.; Santamaría, L.; Santiago-Prieto, I.; Santostasi, G.; Sassolas, B.; Sathyaprakash, B. S.; Sato, S.; Saulson, P. R.; Savage, R. L.; Schilling, R.; Schnabel, R.; Schofield, R. M. S.; Schreiber, E.; Schulz, B.; Schutz, B. F.; Schwinberg, P.; Scott, J.; Scott, S. M.; Seifert, F.; Sellers, D.; Sentenac, D.; Sergeev, A.; Shaddock, D. A.; Shaltev, M.; Shapiro, B.; Shawhan, P.; Shoemaker, D. H.; Sibley, A.; Siemens, X.; Sigg, D.; Singer, A.; Singer, L.; Sintes, A. M.; Skelton, G. R.; Slagmolen, B. J. J.; Slutsky, J.; Smith, J. R.; Smith, M. R.; Smith, R. J. E.; Smith-Lefebvre, N. D.; Somiya, K.; Sorazu, B.; Soto, J.; Speirits, F. C.; Sperandio, L.; Stefszky, M.; Stein, A. J.; Stein, L. C.; Steinert, E.; Steinlechner, J.; Steinlechner, S.; Steplewski, S.; Stochino, A.; Stone, R.; Strain, K. A.; Strigin, S. E.; Stroeer, A. S.; Sturani, R.; Stuver, A. L.; Summerscales, T. Z.; Sung, M.; Susmithan, S.; Sutton, P. J.; Swinkels, B.; Tacca, M.; Taffarello, L.; Talukder, D.; Tanner, D. B.; Tarabrin, S. P.; Taylor, J. R.; Taylor, R.; Thomas, P.; Thorne, K. A.; Thorne, K. S.; Thrane, E.; Thüring, A.; Tokmakov, K. V.; Tomlinson, C.; Toncelli, A.; Tonelli, M.; Torre, O.; Torres, C.; Torrie, C. I.; Tournefier, E.; Travasso, F.; Traylor, G.; Tseng, K.; Ugolini, D.; Vahlbruch, H.; Vajente, G.; van den Brand, J. F. J.; Van Den Broeck, C.; van der Putten, S.; van Veggel, A. A.; Vass, S.; Vasuth, M.; Vaulin, R.; Vavoulidis, M.; Vecchio, A.; Vedovato, G.; Veitch, J.; Veitch, P. J.; Veltkamp, C.; Verkindt, D.; Vetrano, F.; Viceré, A.; Villar, A. E.; Vinet, J.-Y.; Vitale, S.; Vitale, S.; Vocca, H.; Vorvick, C.; Vyatchanin, S. P.; Wade, A.; Wade, L.; Wade, M.; Waldman, S. J.; Wallace, L.; Wan, Y.; Wang, M.; Wang, X.; Wang, Z.; Wanner, A.; Ward, R. L.; Was, M.; Weinert, M.; Weinstein, A. J.; Weiss, R.; Wen, L.; Wessels, P.; West, M.; Westphal, T.; Wette, K.; Whelan, J. T.; Whitcomb, S. E.; White, D. J.; Whiting, B. F.; Wilkinson, C.; Willems, P. A.; Williams, L.; Williams, R.; Willke, B.; Winkelmann, L.; Winkler, W.; Wipf, C. C.; Wiseman, A. G.; Wittel, H.; Woan, G.; Wooley, R.; Worden, J.; Yakushin, I.; Yamamoto, H.; Yamamoto, K.; Yancey, C. C.; Yang, H.; Yeaton-Massey, D.; Yoshida, S.; Yu, P.; Yvert, M.; Zadroźny, A.; Zanolin, M.; Zendri, J.-P.; Zhang, F.; Zhang, L.; Zhang, W.; Zhao, C.; Zotov, N.; Zucker, M. E.; Zweizig, J.

2012-05-01

We present the results of a weakly modeled burst search for gravitational waves from mergers of nonspinning intermediate mass black holes in the total mass range 100-450M⊙ and with the component mass ratios between 1∶1 and 4∶1. The search was conducted on data collected by the LIGO and Virgo detectors between November of 2005 and October of 2007. No plausible signals were observed by the search which constrains the astrophysical rates of the intermediate mass black holes mergers as a function of the component masses. In the most efficiently detected bin centered on 88+88M⊙, for nonspinning sources, the rate density upper limit is 0.13 per Mpc3 per Myr at the 90% confidence level.

Intermediate-Band Photometric Luminosity Descrimination for M Stars

NASA Astrophysics Data System (ADS)

Robertson, T. H.; Furiak, N. M.

1995-12-01

Synthetic photometry has been used to design an intermediate-band filter to be used with CCD cameras to facilitate the luminosity classification of M stars. Spectrophotometric data published by Gunn & Stryker (1983) were used to test various bandwidths and centers. Based on these calculations an intermediate-band filter has been purchased. This filter is being used in conjunction with standard BVRI filters to test its effectiveness in luminosity classification of M stars having a wide range of temperatures and different chemical compositions. The results of the theoretical calculations, filter design specifications and preliminary results of the testing program are presented. This research is supported in part by funds provided by Ball State University, The Fund for Astrophysical Research and the Indiana Academy of Science.

Water clusters in amorphous pharmaceuticals.

PubMed

Authelin, Jean-Rene; MacKenzie, Alan P; Rasmussen, Don H; Shalaev, Evgenyi Y

2014-09-01

Amorphous materials, although lacking the long-range translational and rotational order of crystalline and liquid crystalline materials, possess certain local (short-range) structure. This paper reviews the distribution of one particular component present in all amorphous pharmaceuticals, that is, water. Based on the current understanding of the structure of water, water molecules can exist in either unclustered form or as aggregates (clusters) of different sizes and geometries. Water clusters are reported in a range of amorphous systems including carbohydrates and their aqueous solutions, synthetic polymers, and proteins. Evidence of water clustering is obtained by various methods that include neutron and X-ray scattering, molecular dynamics simulation, water sorption isotherm, concentration dependence of the calorimetric Tg , dielectric relaxation, and nuclear magnetic resonance. A review of the published data suggests that clustering depends on water concentration, with unclustered water molecules existing at low water contents, whereas clusters form at intermediate water contents. The transition from water clusters to unclustered water molecules can be expected to change water dependence of pharmaceutical properties, such as rates of degradation. We conclude that a mechanistic understanding of the impact of water on the stability of amorphous pharmaceuticals would require systematic studies of water distribution and clustering, while such investigations are lacking. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Multi-scale structures and functional properties of starches from Indica hybrid, Japonica and waxy rice.

PubMed

Wang, Shujun; Li, Peiyan; Yu, Jinglin; Guo, Peng; Wang, Shuo

2017-09-01

The structural and functional properties of starches from three rice grains differing in amylose content (19.9, 13.4 and 0.8% for Japonica, Indica hybrid and waxy rice, respectively) were investigated using a range of characterization methods Indica hybrid starch (IHS) had the highest proportion of intermediate (DP 13-24) and long branch chains (DP≥37) and the lowest proportion of short branch chains (DP 6-12), whereas the opposite results were observed for Japonica starch (JS). The results for waxy rice starch (WS) were between those of IHS and JS. Rice starches showed a typical A-type X-ray diffraction pattern with the relative crystallinity ranging from 33.4% for JS to 39.4% for WS. Significant differences were observed in lamellar distance and short-range molecular order characterized by IR ratio of absorbances at 1047/1022cm -1 and full width of half maximum (FWHM) of the band at 480cm -1 . WS showed a higher swelling power and a lower close packing concentration at temperatures from 60 to 90°C. The lower peak viscosity of WS was attributed to the formation of less rigid swollen granules at a concentrated regime. WS showed a higher in vitro digestibility compared with IHS and JS. Copyright © 2017 Elsevier B.V. All rights reserved.

Outage analysis of relay-assisted underwater wireless optical communication systems

NASA Astrophysics Data System (ADS)

Tabeshnezhad, Azadeh; Pourmina, Mohammad Ali

2017-12-01

In this paper, we theoretically evaluate the outage probabilities of underwater wireless optical communication (UWOC) systems. Our derivations are general as the channel model under consideration takes into account all of the channel degrading effects, namely absorption, scattering, and turbulence-induced fading. We numerically show that the UWOC systems, due to the severe channel impairments, cannot typically support longer link ranges than 100 m. Therefore, in this paper, in order to increase the transmission reliability and hence extend the viable communication range of UWOC systems, we apply decode-and-forward (DF) relay-assisted communications either in the form of multi-hop transmission, where multiple intermediate relays are serially employed between the source and destination, or parallel relaying in which multiple DF relays are distributed among the source-to-destination path to cooperate in the end-to-end transmission. Our numerical results reveal that multi-hop transmission, owing to the distance-dependency of all of the channel degrading effects, can tremendously improve the end-to-end outage probability and increase the accessible link ranges to hundreds of meter. For example, a dual-hop transmission in a 45 m coastal water link can provide up to 41 dB performance improvement at the outage probability of 10-9.

Intermediate-coupling theory of the spin polaron in the {ital t}-{ital J} model

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

Barentzen, H.

1996-03-01

The spin polaron in the {ital t-J} model, i.e., a hole dressed by a cloud of virtual magnons of the antiferromagnetic spin background, is treated within the framework of intermediate-coupling theory. The original {ital t}-{ital J} model is first reformulated in terms of spinless fermions and bosons by means of the generalized Dyson-Maleev representation (DMR). The latter may be regarded as the natural extension of the ordinary DMR of pure (undoped) spin systems to the case where holes are present, and is similar to the one originally proposed by Schmitt-Rink, Varma, and Ruckenstein. The reformulated {ital t}-{ital J} model, whichmore » is reminiscent of the Fr{umlt o}hlich Hamiltonian, is then subjected to a series of unitary transformations, analogous to those employed by Lee, Low, and Pines in their treatment of the Fr{umlt o}hlich polaron. Our approach yields an approximate quasiparticle energy {ital E}({ital k}{bold )} as well as the corresponding eigenvector. To explore the range of validity of our theory, the analytic expressions are then further analyzed for intermediate ({ital J}/{ital t}=0.4) and strong ({ital J}/{ital t}=0.08) coupling, where special attention is paid to the quasiparticle bandwidth {ital W}. The intermediate-coupling result for {ital E}({ital k}{bold )} is in excellent agreement with the dispersion curve recently obtained by Dagotto and co-workers by means of a Green function Monte Carlo method. Even in the strong-coupling range the bandshape remains qualitatively correct. The bandwidth {ital W} is rather accurate for weak coupling ({ital J}/{ital t}{approx_gt}3), and still reasonable in the intermediate range 0.4{approx_lt}{ital J}/{ital t}{le}3, where it deviates from the correct values by some 10-20%. Our theory fails, however, to describe the proper behavior of {ital W} in the strong-coupling regime. This shows that the limitations of our approach manifest themselves in the bandwidths rather than in the shapes of the dispersion curves.« less

The Composition of Intermediate Products of the Thermal Decomposition of (NH4)2ZrF6 to ZrO2 from Vibrational-Spectroscopy Data

NASA Astrophysics Data System (ADS)

Voit, E. I.; Didenko, N. A.; Gaivoronskaya, K. A.

2018-03-01

Thermal decomposition of (NH4)2ZrF6 resulting in ZrO2 formation within the temperature range of 20°-750°C has been investigated by means of thermal and X-ray diffraction analysis and IR and Raman spectroscopy. It has been established that thermolysis proceeds in six stages. The vibrational-spectroscopy data for the intermediate products of thermal decomposition have been obtained, systematized, and summarized.

Basic calibrations of the photographic RGU system. III - Intermediate and extreme Population II dwarf stars

NASA Astrophysics Data System (ADS)

Buser, R.; Fenkart, R. P.

1990-11-01

This paper presents an extended calibration of the color-magnitude and two-color diagrams and the metal-abundance parameter for the intermediate Population II and the extreme halo dwarfs observed in the Basel Palomar-Schmidt RGU three-color photometric surveys of the galaxy. The calibration covers the metallicity range between values +0.50 and -3.00. It is shown that the calibrations presented are sufficiently accurate to be useful for the future analyses of photographic survey data.

First-order hydrothermal oxidation kinetics of digested sludge compared with raw sludge.

PubMed

Shanableh, A; Imteaz, M

2008-09-01

This article presents an assessment of the first-order hydrothermal oxidation kinetics of a selected digested sludge at subcritical (< 374 degrees C) and supercritical (> 374 degrees C) temperatures in the range of 250-460 degrees C. Furthermore, the results were compared with reported oxidation kinetics of raw sludge treated under identical experimental conditions. In the assessment, oxidation was considered to proceed in two steps: (1) decomposition of the particulate, or non-filterable, chemical oxygen demand (PCOD); followed by (2) ultimate oxidation and removal of the total, particulate and soluble, COD. The accumulation and removal of soluble COD (SCOD) was determined from the difference between the rates of sludge decomposition and ultimate oxidation. Using results from batch and continuous-flow hydrothermal treatment experiments, the reacting organic ingredients were separated into groups according to the ease or difficulty at which they were decomposed or removed, with Arrhenius-type activation energy levels assigned to the different groups. The analysis confirmed that within the treatment range of 75% to more than 97% COD removal, the oxidation kinetics of the digested and raw sludges were nearly identical despite differences in the proportions of their original organic ingredients. The original organic ingredients were mostly removed above 75% COD removal, and the oxidation kinetics appeared to be dominated by the removal of acetic acid, an intermediate by-product which constituted 50% to more than 80% of the remaining COD. Furthermore, the oxidation kinetics of both sludge types were consistent with reported first-order oxidation kinetics of pure acetic acid solutions. The resulting kinetic models adequately represented hydrothermal oxidation of digested sludge, in terms of COD and PCOD removals, as well as accumulation and removal of the soluble SCOD.

Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquids

DOE PAGES

Nebgen, Benjamin Tyler; Magurudeniya, Harsha D.; Kwock, Kevin Wen Chi; ...

2017-07-18

Molecular dynamics simulations (up to the nanoscale) were performed on the 3-methyl-1-pentylimidazolium ionic liquid cation paired with three anions; chloride, nitrate, and thiocyanate as aqueous mixtures, using the effective fragment potential (EFP) method, a computationally inexpensive way of modeling intermolecular interactions. The simulations provided insight (preferred geometries, radial distribution functions and theoretical proton NMR resonances) into the interactions within the ionic domain and are validated against 1H NMR spectroscopy and small- and wide-angle X-ray scattering experiments on 1-decyl-3-methylimidazolium. Ionic liquids containing thiocyanate typically resist gelation and form poorly ordered lamellar structures upon mixing with water. Conversely, chloride, a strongly coordinatingmore » anion, normally forms strong physical gels and produces well-ordered nanostructures adopting a variety of structural motifs over a very wide range of water compositions. Nitrate is intermediate in character, whereby upon dispersal in water it displays a range of viscosities and self-assembles into nanostructures with considerable variability in the fidelity of ordering and symmetry, as a function of water content in the binary mixtures. The observed changes in the macro and nanoscale characteristics were directly correlated to ionic domain structures and intermolecular interactions as theoretically predicted by the analysis of MD trajectories and calculated RDFs. Specifically, both chloride and nitrate are positioned in the plane of the cation. Anion to cation proximity is dependent on water content. Thiocyanate is more susceptible to water insertion into the second solvent shell. Experimental 1H NMR chemical shifts monitor the site-specific competition dependence with water content in the binary mixtures. As a result, thiocyanate preferentially sits above and below the aromatic ring plane, a state disallowing interaction with the protons on the imidazolium ring.« less

Design principles from multiscale simulations to predict nanostructure in self-assembling ionic liquids.

PubMed

Nebgen, Benjamin T; Magurudeniya, Harsha D; Kwock, Kevin W C; Ringstrand, Bryan S; Ahmed, Towfiq; Seifert, Sönke; Zhu, Jian-Xin; Tretiak, Sergei; Firestone, Millicent A

2017-12-14

Molecular dynamics simulations (up to the nanoscale) were performed on the 3-methyl-1-pentylimidazolium ionic liquid cation paired with three anions; chloride, nitrate, and thiocyanate as aqueous mixtures, using the effective fragment potential (EFP) method, a computationally inexpensive way of modeling intermolecular interactions. The simulations provided insight (preferred geometries, radial distribution functions and theoretical proton NMR resonances) into the interactions within the ionic domain and are validated against 1 H NMR spectroscopy and small- and wide-angle X-ray scattering experiments on 1-decyl-3-methylimidazolium. Ionic liquids containing thiocyanate typically resist gelation and form poorly ordered lamellar structures upon mixing with water. Conversely, chloride, a strongly coordinating anion, normally forms strong physical gels and produces well-ordered nanostructures adopting a variety of structural motifs over a very wide range of water compositions. Nitrate is intermediate in character, whereby upon dispersal in water it displays a range of viscosities and self-assembles into nanostructures with considerable variability in the fidelity of ordering and symmetry, as a function of water content in the binary mixtures. The observed changes in the macro and nanoscale characteristics were directly correlated to ionic domain structures and intermolecular interactions as theoretically predicted by the analysis of MD trajectories and calculated RDFs. Specifically, both chloride and nitrate are positioned in the plane of the cation. Anion to cation proximity is dependent on water content. Thiocyanate is more susceptible to water insertion into the second solvent shell. Experimental 1 H NMR chemical shifts monitor the site-specific competition dependence with water content in the binary mixtures. Thiocyanate preferentially sits above and below the aromatic ring plane, a state disallowing interaction with the protons on the imidazolium ring.

Effect of Oblique Electromagnetic Ion Cyclotron Waves on Relativistic Electron Scattering: CRRES Based Calculation

NASA Technical Reports Server (NTRS)

Gamayunov, K. V.; Khazanov, G. V.

2007-01-01

We consider the effect of oblique EMIC waves on relativistic electron scattering in the outer radiation belt using simultaneous observations of plasma and wave parameters from CRRES. The main findings can be s ummarized as follows: 1. In 1comparison with field-aligned waves, int ermediate and highly oblique distributions decrease the range of pitc h-angles subject to diffusion, and reduce the local scattering rate b y an order of magnitude at pitch-angles where the principle absolute value of n = 1 resonances operate. Oblique waves allow the absolute va lue of n > 1 resonances to operate, extending the range of local pitc h-angle diffusion down to the loss cone, and increasing the diffusion at lower pitch angles by orders of magnitude; 2. The local diffusion coefficients derived from CRRES data are qualitatively similar to the local results obtained for prescribed plasma/wave parameters. Conseq uently, it is likely that the bounce-averaged diffusion coefficients, if estimated from concurrent data, will exhibit the dependencies similar to those we found for model calculations; 3. In comparison with f ield-aligned waves, intermediate and highly oblique waves decrease th e bounce-averaged scattering rate near the edge of the equatorial lo ss cone by orders of magnitude if the electron energy does not excee d a threshold (approximately equal to 2 - 5 MeV) depending on specified plasma and/or wave parameters; 4. For greater electron energies_ ob lique waves operating the absolute value of n > 1 resonances are more effective and provide the same bounce_averaged diffusion rate near the loss cone as fiel_aligned waves do.

Triggering the approach of an arene or heteroarene towards an aldehyde via Lewis acid-aldehyde communication.

PubMed

Pratihar, Sanjay

2016-03-14

The present work reports a combined experimental/computational study of the Lewis acid promoted hydroxyalkylation reaction involving aldehyde and arene/heteroarene and reveals a mechanism in which the rate determining aldehyde to alcohol formation via a four-member cyclic transition state (TS) involves a transfer of hydrogen from arene/heteroarene C-H to aldehyde oxygen with the breaking of the C-H bond and formation of C-C and O-H bonds. The effect of different Sn(iv) derivatives on the hydroxyalkylation reaction from different in situ NMR and computational studies reveals that although the exergonic formation of the intermediate and its gained electrophilicity at the carbonyl carbon drive the reaction in SnCl4 compared to other Sn(iv) derivatives, the overall reaction is low yielding because of its stable intermediate. With respect to different aldehydes, LA promoted hydroxylation was found to be more feasible for an electron withdrawing aldehyde compared to electron rich aldehyde because of lower stability, enhanced electrophilicity gained at the aldehyde center, and a lower activation barrier between its intermediate and TS in the former as compared to the latter. The relative stability of the LA-aldehyde adduct decreases in the order SnCl4 > AlCl3 > InCl3 > BF3 > ZnCl2 > TiCl4 > SiCl4, while the activation barrier (ΔG(#)) between intermediate and transition states increases in the order AlCl3 < SnCl4 < InCl3 < BF3 < TiCl4 < ZnCl2 < SiCl4. On the other hand, the activation barriers in the case of different arenes/heteroarenes are in the order of indole < furan < anisole < thiophene < toluene < benzene < chlorobenzene < cyanobenzene, which suggests a facile reaction in the case of indole and the most difficult reaction in the case of cyanobenzene. The ease of formation of the corresponding diaryl methyl carbocation from the alcohol-LA intermediate is responsible for the determination of the undesired product and is found to be more viable in the case of strong LAs like AlCl3, InCl3 and SnCl4 because they have negative free energy of formation (ΔG) for alcohol to the corresponding diaryl methyl carbocation.

Ground-water hydrology and simulation of ground-water flow at Operable Unit 3 and surrounding region, U.S. Naval Air Station, Jacksonville, Florida

USGS Publications Warehouse

Davis, J.H.

1998-01-01

The Naval Air Station, Jacksonville (herein referred to as the Station), occupies 3,800 acres adjacent to the St. Johns River in Duval County, Florida. Operable Unit 3 (OU3) occupies 134 acres on the eastern side of the Station and has been used for industrial and commercial purposes since World War II. Ground water contaminated by chlorinated organic compounds has been detected in the surficial aquifer at OU3. The U.S. Navy and U.S. Geological Survey (USGS) conducted a cooperative hydrologic study to evaluate the potential for ground water discharge to the neighboring St. Johns River. A ground-water flow model, previously developed for the area, was recalibrated for use in this study. At the Station, the surficial aquifer is exposed at land surface and forms the uppermost permeable unit. The aquifer ranges in thickness from 30 to 100 feet and consists of unconsolidated silty sands interbedded with local beds of clay. The low-permeability clays of the Hawthorn Group form the base of the aquifer. The USGS previously conducted a ground-water investigation at the Station that included the development and calibration of a 1-layer regional ground-water flow model. For this investigation, the regional model was recalibrated using additional data collected after the original calibration. The recalibrated model was then used to establish the boundaries for a smaller subregional model roughly centered on OU3. Within the subregional model, the surficial aquifer is composed of distinct upper and intermediate layers. The upper layer extends from land surface to a depth of approximately 15 feet below sea level; the intermediate layer extends from the upper layer down to the top of the Hawthorn Group. In the northern and central parts of OU3, the upper and intermediate layers are separated by a low-permeability clay layer. Horizontal hydraulic conductivities in the upper layer, determined from aquifer tests, range from 0.19 to 3.8 feet per day. The horizontal hydraulic conductivity in the intermediate layer, determined from one aquifer test, is 20 feet per day. An extensive stormwater drainage system is present at OU3 and the surrounding area. Some of the stormwater drains have been documented to be draining ground water from the upper layer of the surficial aquifer, whereas other drains are only suspected to be draining ground water. The subregional model contained 78 rows and 148 columns of square model cells that were 100 feet on each side. Vertically, the surficial aquifer was divided into two layers; layer 1 represented the upper layer and layer 2 represented the intermediate layer. Steady-state ground-water flow conditions were assumed. The model was calibrated to head data collected on October 29 and 30, 1996. After calibration, the model matched all 67 measured heads to within the calibration criterion of 1 foot; and 48 of 67 simulated heads (72 percent) were within 0.5 foot. Model simulated recharge rates ranged from 0.4 inch per year in areas that were largely paved to 13.0 inches per year in irrigated areas. Simulated hydraulic conductivities in the upper layer at OU3 ranged from 0.5 foot per day in the north to 1.0 foot per day in the south. Simulated vertical leakance between the upper and intermediate layers ranged from 1.0x10-6 per day in an area with low-permeability clays to 4.3x10-2 per day in an area that had been dredged. Simulated transmissivities in the intermediate layer ranged from 25 feet squared per day in an area of low-permeability channel-fill deposits to a high of 1,200 feet squared per day in areas covering most of OU3. Simulated riverbed conductances ranged from 4 to 60 feet squared per day and simulated bottom conductances of leaking stormwater drains ranged from 5 to 20 feet squared per day. The direction and velocity of ground-water flow was determined using particle-tracking techniques. Ground-water flow in the upper layer was generally eastward toward the St. Johns River. However, leaking stormwat

Magnetic anisotropy and order parameter in nanostructured CoPt particles

NASA Astrophysics Data System (ADS)

Komogortsev, S. V.; Iskhakov, R. S.; Zimin, A. A.; Filatov, E. Yu.; Korenev, S. V.; Shubin, Yu. V.; Chizhik, N. A.; Yurkin, G. Yu.; Eremin, E. V.

2013-10-01

The correlation of magnetic anisotropy energy with order parameter in the crystallites of CoPt nanostructured particles prepared by thermal decomposition and further annealing has been studied by investigation of the approach magnetization to saturation curves and x-ray powder diffraction pattern profiles. It is shown that magnetic anisotropy energy value in partially ordered CoPt crystallite could be described as an intermediate case between two extremes, corresponding to either single or several c-domains of L10 phase in crystallite.

Quad-channel beam switching WR3-band transmitter MMIC

NASA Astrophysics Data System (ADS)

Müller, Daniel; Eren, Gülesin; Wagner, Sandrine; Tessmann, Axel; Leuther, Arnulf; Zwick, Thomas; Kallfass, Ingmar

2017-05-01

Millimeter wave radar systems offer several advantages such as the combination of high resolution and the penetration of adverse atmosphere like smoke, dust or rain. This paper presents a monolithic millimeter wave integrated circuit (MMIC) transmitter which offers four channel beam steering capabilities and can be used as a radar or communication system transmitter. At the local oscillator input, in order to simplify packaging, a frequency tripler is used to multiply the 76.6 - 83.3 GHz input signal to the intended 230 - 250 GHz output frequency range. A resistive mixer is used for the conversion of the intermediate frequency signal into the RF domain. The actual beam steering network is realized using an active single pole quadruple throw (SP4T) switch, which is connected to a integrated Butler matrix. The MMIC was fabricated in a 35 nm InGaAs mHEMT process and has a size of 4.0 mm × 1.5 mm

Intermediate-range order in simple metal-phosphate glasses: The effect of metal cations on the phosphate anion distribution

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

Sales, B.C.; Boatner, L.A.; Ramey, J.O.

1997-06-01

The technique of high-performance liquid chromatography (HPLC) has been used to probe the phosphate anion distribution in a variety of metal phosphate glasses including glasses made with trivalent metal cations (Al, In, Ga, La). The composition of each glass was chosen so that the average phosphate chain length was between 2 and 4 PO{sub 4} tetrahedra. The widths of the resulting phosphate anion distributions were determined directly from an analysis of the HPLC chromatograms. Literature values for the free energy of formation of the crystalline metal-orthophosphate compounds with respect to P{sub 2}O{sub 5} and the metal oxide, were compared tomore » the chromatogram widths. It was found that the smaller the energy of formation, the wider the distribution of phosphate chains, and the greater the ease of glass formation.« less

Dynamics of a molecular glass former: Energy landscapes for diffusion in ortho-terphenyl

NASA Astrophysics Data System (ADS)

Niblett, S. P.; de Souza, V. K.; Stevenson, J. D.; Wales, D. J.

2016-07-01

Relaxation times and transport processes of many glass-forming supercooled liquids exhibit a super-Arrhenius temperature dependence. We examine this phenomenon by computer simulation of the Lewis-Wahnström model for ortho-terphenyl. We propose a microscopic definition for a single-molecule cage-breaking transition and show that, when correlation behaviour is taken into account, these rearrangements are sufficient to reproduce the correct translational diffusion constants over an intermediate temperature range in the supercooled regime. We show that super-Arrhenius behaviour can be attributed to increasing negative correlation in particle movement at lower temperatures and relate this to the cage-breaking description. Finally, we sample the potential energy landscape of the model and show that it displays hierarchical ordering. Substructures in the landscape, which may correspond to metabasins, have boundaries defined by cage-breaking transitions. The cage-breaking formulation provides a direct link between the potential energy landscape and macroscopic diffusion behaviour.

Brittle Fracture In Disordered Media: A Unified Theory

NASA Astrophysics Data System (ADS)

Shekhawat, Ashivni; Zapperi, Stefano; Sethna, James

2013-03-01

We present a unified theory of fracture in disordered brittle media that reconciles apparently conflicting results reported in the literature, as well as several experiments on materials ranging from granite to bones. Our renormalization group based approach yields a phase diagram in which the percolation fixed point, expected for infinite disorder, is unstable for finite disorder and flows to a zero-disorder nucleation-type fixed point, thus showing that fracture has mixed first order and continuous character. In a region of intermediate disorder and finite system sizes, we predict a crossover with mean-field avalanche scaling. We discuss intriguing connections to other phenomena where critical scaling is only observed in finite size systems and disappears in the thermodynamic limit. We present a numerical validation of our theoretical results. We acknowledge support from DOE- BES DE-FG02-07ER46393, ERC-AdG-2011 SIZEFFECT, and the NSF through TeraGrid by LONI under grant TG-DMR100025.

Constraining the Star-Formation and Metal-Enrichment Histories of Galaxies with the Next Generation Spectral Library

NASA Astrophysics Data System (ADS)

Heap, Sara

2009-07-01

Hubble's Next Generation Spectral Library {NGSL} comprises intermediate-resolution {R 1000} STIS spectra of 378 stars having a wide range in metallicity and age. Unique features of the NGSL include its broad wavelength coverage {1,800-10,100 ?} and high-S/N, absolute spectrophotometry. When incorporated in modern stellar population synthesis codes, the NGSL should enable us to constrain simultaneously the star-formation history and metal-enrichment history of galaxies over a wide redshift interval {z= 0-2}. In AR10659, we laid the foundation for tracing the spectral evolution of galaxies by putting the NGSL in order. We now propose to derive the atmospheric and fundamental parameters of the program stars, generate integrated spectra of stellar populations of different metallicities and initial mass functions, and derive spectral diagnostics of the age, metalllicity and E{B-V} of stellar populations.

Photochemical oxidation of persistent cyanide-related compounds

NASA Astrophysics Data System (ADS)

Budaev, S. L.; Batoeva, A. A.; Khandarkhaeva, M. S.; Aseev, D. G.

2017-03-01

Kinetic regularities of the photolysis of thiocyanate solutions using of mono- and polychromatic UV radiation sources with different spectral ranges are studied. Comparative experiments aimed at investigating the role of photochemical action during the oxidation of thiocyanates with persulfates and additional catalytic activation with iron(III) ions are performed. The rate of conversion and the initial rate of thiocyanate oxidation are found to change in the order UV < UV/S2O 8 2- < S2O 8 2- /Fe3+ < UV/S2O 8 2- /Fe3+. A synergistic effect is detected when using the combined catalytic method for the destruction of thiocyanates by the UV/S2O 8 2- /Fe3+ oxidation system. This effect is due to the formation of reactive oxygen species, as a result of both the decomposition of persulfate and the reduction of inactive Fe3+ intermediates into Fe3+.

Spin-orbit quenching of the C+(2P) ion by collisions with para- and ortho-H2.

PubMed

Lique, François; Werfelli, Ghofran; Halvick, Philippe; Stoecklin, Thierry; Faure, Alexandre; Wiesenfeld, Laurent; Dagdigian, Paul J

2013-05-28

Spin-orbit (de-)excitation of C(+)((2)P) by collisions with H2, a key process for astrochemistry, is investigated. Quantum-mechanical calculations of collisions between C(+) ions and para- and ortho-H2 have been performed in order to determine the cross section for the C(+) (2)P3∕2 → (2)P1∕2 fine-structure transition at low and intermediate energies. The calculation are based on new ab initio potential energy surfaces obtained using the multireference configuration interaction method. Corresponding rate coefficients were obtained for temperatures ranging from 5 to 500 K. These rate coefficients are compared to previous estimations, and their impact is assessed through radiative transfer computation. They are found to increase the flux of the (2)P3∕2 → (2)P1∕2 line at 158 μm by up to 30% for typical diffuse interstellar cloud conditions.

A robust BAO extractor

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

Noda, Eugenio; Pietroni, Massimo; Peloso, Marco, E-mail: eugenio.noda@pr.infn.it, E-mail: peloso@physics.umn.edu, E-mail: massimo.pietroni@unipr.it

2017-08-01

We define a procedure to extract the oscillating part of a given nonlinear Power Spectrum, and derive an equation describing its evolution including the leading effects at all scales. The intermediate scales are taken into account by standard perturbation theory, the long range (IR) displacements are included by using consistency relations, and the effect of small (UV) scales is included via effective coefficients computed in simulations. We show that the UV effects are irrelevant in the evolution of the oscillating part, while they play a crucial role in reproducing the smooth component. Our 'extractor' operator can be applied to simulationsmore » and real data in order to extract the Baryonic Acoustic Oscillations (BAO) without any fitting function and nuisance parameter. We conclude that the nonlinear evolution of BAO can be accurately reproduced at all scales down to 0 z = by our fast analytical method, without any need of extra parameters fitted from simulations.« less

Depth dependent stress revealed by aftershocks

NASA Astrophysics Data System (ADS)

Narteau, C.; Shebalin, P.

2017-12-01

Aftershocks occur in response to perturbations of the state of stress induced either by earthquakes or human activities. Along major strike-slip fault segments of the San Andreas fault system, the time-delay before the onset of the power-law aftershock decay rate (the c-value) varies by three orders of magnitude in the first twenty kilometers below the surface. Despite the influence of the lithostatic stress, there is no continuous change in c-value with respect to depth. Instead, two decay phases are separated by an abrupt increase at an intermediate depth range of 2 to 5 km. This transitional regime is the only one observed in fluid-injection-induced seismic areas. This provides strong evidence for the role of fluid and a porosity reduction mechanism at depth of few kilometers in active fault zones. Aftershock statistics can then be used to predict the evolution the differential shear stress with depth until the brittle-ductile transition is reached.

Nature of ferroelectric to paraelectric phase transition in multiferroic 0.8BiFeO3-0.2Pb(Fe1/2Nb1/2)O3 ceramics

NASA Astrophysics Data System (ADS)

Patel, Jay Prakash; Singh, Anar; Pandey, Dhananjai

2010-05-01

We present here the results of high temperature powder x-ray diffraction study on 0.8BiFeO3-0.2Pb(Fe1/2Nb1/2)O3, which is isostructural with the well known multiferroic BiFeO3 (BF). It is shown that the room temperature ferroelectric phase of 0.8BF-0.2PFN in the R3c space group transforms to the paraelectric/paraelastic cubic (Pm3¯m) phase directly without any intermediate "β" phase reported in the literature for pure BF. This transition is of first order type as confirmed by the coexistence of R3c and Pm3¯m phases over a 100 K range and discontinuous change in the unit cell volume.

Leaner and greener analysis of cannabinoids.

PubMed

Mudge, Elizabeth M; Murch, Susan J; Brown, Paula N

2017-05-01

There is an explosion in the number of labs analyzing cannabinoids in marijuana (Cannabis sativa L., Cannabaceae) but existing methods are inefficient, require expert analysts, and use large volumes of potentially environmentally damaging solvents. The objective of this work was to develop and validate an accurate method for analyzing cannabinoids in cannabis raw materials and finished products that is more efficient and uses fewer toxic solvents. An HPLC-DAD method was developed for eight cannabinoids in cannabis flowers and oils using a statistically guided optimization plan based on the principles of green chemistry. A single-laboratory validation determined the linearity, selectivity, accuracy, repeatability, intermediate precision, limit of detection, and limit of quantitation of the method. Amounts of individual cannabinoids above the limit of quantitation in the flowers ranged from 0.02 to 14.9% w/w, with repeatability ranging from 0.78 to 10.08% relative standard deviation. The intermediate precision determined using HorRat ratios ranged from 0.3 to 2.0. The LOQs for individual cannabinoids in flowers ranged from 0.02 to 0.17% w/w. This is a significant improvement over previous methods and is suitable for a wide range of applications including regulatory compliance, clinical studies, direct patient medical services, and commercial suppliers.

A MULTIWAVELENGTH STUDY OF TADPOLE GALAXIES IN THE HUBBLE ULTRA DEEP FIELD

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

Straughn, Amber N.; Eufrasio, Rafael T.; Gardner, Jonathan P.

2015-12-01

Multiwavelength data are essential in order to provide a complete picture of galaxy evolution and to inform studies of galaxies’ morphological properties across cosmic time. Here we present the results of a multiwavelength investigation of the morphologies of “tadpole” galaxies at intermediate redshift (0.314 < z < 3.175) in the Hubble Ultra Deep Field. These galaxies were previously selected from deep Hubble Space Telescope (HST) F775W data based on their distinct asymmetric knot-plus-tail morphologies. Here we use deep Wide Field Camera 3 near-infrared imaging in addition to the HST optical data in order to study the rest-frame UV/optical morphologies ofmore » these galaxies across the redshift range 0.3 < z < 3.2. This study reveals that the majority of these galaxies do retain their general asymmetric morphology in the rest-frame optical over this redshift range, if not the distinct “tadpole” shape. The average stellar mass of tadpole galaxies is lower than that of field galaxies, with the effect being slightly greater at higher redshift within the errors. Estimated from spectral energy distribution fits, the average age of tadpole galaxies is younger than that of field galaxies in the lower-redshift bin, and the average metallicity is lower (whereas the specific star formation rate for tadpoles is roughly the same as field galaxies across the redshift range probed here). These average effects combined support the conclusion that this subset of galaxies is in an active phase of assembly, either late-stage merging or cold gas accretion causing localized clumpy star formation.« less

The Metallicity Evolution of Blue Compact Dwarf Galaxies from the Intermediate Redshift to the Local Universe

NASA Astrophysics Data System (ADS)

Lian, Jianhui; Hu, Ning; Fang, Guanwen; Ye, Chengyun; Kong, Xu

2016-03-01

We present oxygen abundance measurements for 74 blue compact dwarf (BCD) galaxies in the redshift range of [0.2, 0.5] using the strong-line method. The spectra of these objects are taken using Hectospec on the Multiple Mirror Telescope. More than half of these BCDs had dust attenuation corrected using the Balmer decrement method. For comparison, we also selected a sample of 2023 local BCDs from the Sloan Digital Sky Survey (SDSS) database. Based on the local and intermediate-z BCD samples, we investigated the cosmic evolution of the metallicity, star formation rate (SFR), and Dn(4000) index. Compared with local BCDs, the intermediate-z BCDs had a systematically higher R23 ratio but a similar O32 ratio. Interestingly, no significant deviation in the mass-metallicity (MZ) relation was found between the intermediate-z and local BCDs. Besides the metallicity, the intermediate-z BCDs also exhibited an SFR distribution that was consistent with local BCDs, suggesting a weak dependence on redshift. The intermediate-z BCDs seemed to be younger than the local BCDs with lower Dn(4000) index values. The insignificant deviation in the mass-metallicity and mass-SFR relations between intermediate-z and local BCDs indicates that the relations between the global parameters of low-mass compact galaxies may be universal. These results from low-mass compact galaxies could be used to place important observational constraints on galaxy formation and evolution models.

Characteristic-based and interface-sharpening algorithm for high-order simulations of immiscible compressible multi-material flows

NASA Astrophysics Data System (ADS)

He, Zhiwei; Tian, Baolin; Zhang, Yousheng; Gao, Fujie

2017-03-01

The present work focuses on the simulation of immiscible compressible multi-material flows with the Mie-Grüneisen-type equation of state governed by the non-conservative five-equation model [1]. Although low-order single fluid schemes have already been adopted to provide some feasible results, the application of high-order schemes (introducing relatively small numerical dissipation) to these flows may lead to results with severe numerical oscillations. Consequently, attempts to apply any interface-sharpening techniques to stop the progressively more severe smearing interfaces for a longer simulation time may result in an overshoot increase and in some cases convergence to a non-physical solution occurs. This study proposes a characteristic-based interface-sharpening algorithm for performing high-order simulations of such flows by deriving a pressure-equilibrium-consistent intermediate state (augmented with approximations of pressure derivatives) for local characteristic variable reconstruction and constructing a general framework for interface sharpening. First, by imposing a weak form of the jump condition for the non-conservative five-equation model, we analytically derive an intermediate state with pressure derivatives treated as additional parameters of the linearization procedure. Based on this intermediate state, any well-established high-order reconstruction technique can be employed to provide the state at each cell edge. Second, by designing another state with only different reconstructed values of the interface function at each cell edge, the advection term in the equation of the interface function is discretized twice using any common algorithm. The difference between the two discretizations is employed consistently for interface compression, yielding a general framework for interface sharpening. Coupled with the fifth-order improved accurate monotonicity-preserving scheme [2] for local characteristic variable reconstruction and the tangent of hyperbola for the interface capturing scheme [3] for designing other reconstructed values of the interface function, the present algorithm is examined using some typical tests, with the Mie-Grüneisen-type equation of state used for characterizing the materials of interest in both one- and two-dimensional spaces. The results of these tests verify the effectiveness of the present algorithm: essentially non-oscillatory and interface-sharpened results are obtained.

Potentiometric surface of the intermediate aquifer system, west- central Florida, May 1987

USGS Publications Warehouse

Lewelling, B.R.

1988-01-01

The intermediate aquifer system within the Southwest Florida Water Management District underlies a 5,000 sq mi area of De Soto, Sarasota, Hardee, Manatee, and parts of Charlotte, Hillsborough, Highlands, and Polk Counties. The intermediate aquifer system occurs between the overlying surficial aquifer system and the underlying Floridan aquifer system, and consists of layers of sand, shell, clay, marl, limestone, and dolom of the Tamiami, Hawthorn, and Tampa Formations of late Tertiary age. The intermediate aquifer system contains one or more water-bearing units separated by discontinuous confining units. This aquifer system is the principal source of potable water in the southwestern part of the study area and is widely used as a source of water in other parts where wells are open to the intermediate aquifer system or to both the intermediate and Floridan aquifer systems. Yields of individual wells open to the intermediate aquifer system range from a few gallons to several hundred gallons per minute. The volume of water withdrawn from the intermediate aquifer system is considerably less than that withdrawn from the Floridan aquifer system in the study area. The surface was mapped by determining the altitude of water levels in a network of wells and is represented on maps by contours that connect points of equal altitude. The compos potentiometric surface of all water-bearing units within the intermediate aquifer system is shown. In areas where multiple aquifers exist, wells open to all aquifers were selected for water level measurements whenever possible. In the southwestern and lower coastal region of the study area, two aquifers and confining units are described for the intermediate aquifer system: the Tamiami-upper Hawthorn aquifer and the underlying lower Hawthorn-upper Tampa aquifer. The potentiometric surface of the Tamiami-upper Hawthorn aquifer is also shown. Water levels are from wells drilled and open exclusively to that aquifer. The exact boundary for the Tamiami-upper Hawthorn aquifer is undetermined because of limd geohydrologic data available from wells. (Lantz-PTT)

Long-range interactions of hydrogen atoms in excited states. III. n S -1 S interactions for n ≥3

NASA Astrophysics Data System (ADS)

Adhikari, C. M.; Debierre, V.; Jentschura, U. D.

2017-09-01

The long-range interaction of excited neutral atoms has a number of interesting and surprising properties such as the prevalence of long-range oscillatory tails and the emergence of numerically large van der Waals C6 coefficients. Furthermore, the energetically quasidegenerate n P states require special attention and lead to mathematical subtleties. Here we analyze the interaction of excited hydrogen atoms in n S states (3 ≤n ≤12 ) with ground-state hydrogen atoms and find that the C6 coefficients roughly grow with the fourth power of the principal quantum number and can reach values in excess of 240 000 (in atomic units) for states with n =12 . The nonretarded van der Waals result is relevant to the distance range R ≪a0/α , where a0 is the Bohr radius and α is the fine-structure constant. The Casimir-Polder range encompasses the interatomic distance range a0/α ≪R ≪ℏ c /L , where L is the Lamb shift energy. In this range, the contribution of quasidegenerate excited n P states remains nonretarded and competes with the 1 /R2 and 1 /R4 tails of the pole terms, which are generated by lower-lying m P states with 2 ≤m ≤n -1 , due to virtual resonant emission. The dominant pole terms are also analyzed in the Lamb shift range R ≫ℏ c /L . The familiar 1 /R7 asymptotics from the usual Casimir-Polder theory is found to be completely irrelevant for the analysis of excited-state interactions. The calculations are carried out to high precision using computer algebra in order to handle a large number of terms in intermediate steps of the calculation for highly excited states.

Restitution: Another Two-Way Street in School Cases?

ERIC Educational Resources Information Center

Zirkel, Perry A.

2003-01-01

Analyzes complex Minnesota case wherein the state intermediate, appellate court upheld (2-1) juvenile court's order that a high school student expelled for making a bomb threat pay the district's tutoring costs and attorney's fees. (PKP)

Generalised syntheses of ordered mesoporous oxides: the atrane route

NASA Astrophysics Data System (ADS)

Cabrera, Saúl; El Haskouri, Jamal; Guillem, Carmen; Latorre, Julio; Beltrán-Porter, Aurelio; Beltrán-Porter, Daniel; Marcos, M. Dolores; Amorós *, Pedro

2000-06-01

A new simple and versatile technique to obtain mesoporous oxides is presented. While implying surfactant-assisted formation of mesostructured intermediates, the original chemical contribution of this approach lies in the use of atrane complexes as precursors. Without prejudice to their inherent unstability in aqueous solution, the atranes show a marked inertness towards hydrolysis. Bringing kinetic factors into play, it becomes possible to control the processes involved in the formation of the surfactant-inorganic phase composite micelles, which constitute the elemental building blocks of the mesostructures. Independent of the starting compositional complexity, both the mesostructured intermediates and the final mesoporous materials are chemically homogeneous. The final ordered mesoporous materials are thermally stable and show unimodal porosity, as well as homogeneous microstructure and texture. Examples of materials synthesised on account of the versatility of this new method, including siliceous, non siliceous and mixed oxides, are presented and discussed.

Hydrogeology and groundwater quality of Highlands County, Florida

USGS Publications Warehouse

Spechler, Rick M.

2010-01-01

Groundwater is the main source of water supply in Highlands County, Florida. As the demand for water in the county increases, additional information about local groundwater resources is needed to manage and develop the water supply effectively. To address the need for additional data, a study was conducted to evaluate the hydrogeology and groundwater quality of Highlands County. Total groundwater use in Highlands County has increased steadily since 1965. Total groundwater withdrawals increased from about 37 million gallons per day in 1965 to about 107 million gallons per day in 2005. Much of this increase in water use is related to agricultural activities, especially citrus cultivation, which increased more than 300 percent from 1965 to 2005. Highlands County is underlain by three principal hydrogeologic units. The uppermost water-bearing unit is the surficial aquifer, which is underlain by the intermediate aquifer system/intermediate confining unit. The lowermost hydrogeologic unit is the Floridan aquifer system, which consists of the Upper Floridan aquifer, as many as three middle confining units, and the Lower Floridan aquifer. The surficial aquifer consists primarily of fine-to-medium grained quartz sand with varying amounts of clay and silt. The aquifer system is unconfined and underlies the entire county. The thickness of the surficial aquifer is highly variable, ranging from less than 50 to more than 300 feet. Groundwater in the surficial aquifer is recharged primarily by precipitation, but also by septic tanks, irrigation from wells, seepage from lakes and streams, and the lateral groundwater inflow from adjacent areas. The intermediate aquifer system/intermediate confining unit acts as a confining layer (except where breached by sinkholes) that restricts the vertical movement of water between the surficial aquifer and the underlying Upper Floridan aquifer. The sediments have varying degrees of permeability and consist of permeable limestone, dolostone, or sand, or relatively impermeable layers of clay, clayey sand, or clayey carbonates. The thickness of the intermediate aquifer system/ intermediate confining unit ranges from about 200 feet in northwestern Highlands County to more than 600 feet in the southwestern part. Although the intermediate aquifer system is present in the county, it is unclear where the aquifer system grades into a confining unit in the eastern part of the county. Up to two water-bearing units are present in the intermediate aquifer system within the county. The lateral continuity and water-bearing potential of the various aquifers within the intermediate aquifer system are highly variable. The Floridan aquifer system is composed of a thick sequence of limestone and dolostone of Upper Paleocene to Oligocene age. The top of the aquifer system ranges from less than 200 feet below NGVD 29 in extreme northwestern Highlands County to more than 600 feet below NGVD 29 in the southwestern part. The principal source of groundwater supply in the county is the Upper Floridan aquifer. As of 2005, about 89 percent of the groundwater withdrawn from the county was obtained from this aquifer, mostly for agricultural irrigation and public supply. Over most of Highlands County, the Upper Floridan aquifer generally contains freshwater, and the Lower Floridan aquifer contains more mineralized water. The potentiometric surface of the Upper Floridan aquifer is constantly fluctuating, mainly in response to seasonal variations in rainfall and groundwater withdrawals. The potentiometric surface of the Upper Floridan aquifer in May 2007, which represents the hydrologic conditions near the end of the dry season when water levels generally are near their lowest, ranged from about 79 feet above NGVD 29 in northwestern Highlands County to about 40 feet above NGVD 29 in the southeastern part of the county. The potentiometric surface of the Upper Floridan aquifer in September 2007 was about 3 to 10 feet high

Myxozoan infections of caecilians demonstrate broad host specificity and indicate a link with human activity.

PubMed

Hartigan, Ashlie; Wilkinson, Mark; Gower, David J; Streicher, Jeffrey W; Holzer, Astrid S; Okamura, Beth

2016-05-01

Myxozoans are parasitic cnidarians that infect a wide variety of hosts. Vertebrates typically serve as intermediate hosts whereas definitive hosts are invertebrates, including annelids and bryozoans. Myxozoans are known to exploit species in two of the three extant amphibian orders (Anura: frogs and toads; Caudata: newts and salamanders). Here we use museum collections to determine, to our knowledge for the first time, whether myxozoans also exploit the third amphibian order (Gymnophiona: caecilians). Caecilians are a poorly known group of limbless amphibians, the ecologies of which range from aquatic to fully terrestrial. We examined 12 caecilian species in seven families (148 individuals total) characterised by a diversity of ecologies and life histories. Using morphological and molecular surveys, we discovered the presence of the myxozoan Cystodiscus axonis in two South American species (one of seven examined families) of aquatic caecilians - Typhlonectes natans and Typhlonectes compressicauda. All infected caecilians had been maintained in captivity in the United Kingdom prior to their preservation. Cystodiscus axonis is known from several Australian frog species and its presence in caecilians indicates a capacity for infecting highly divergent amphibian hosts. This first known report of myxozoan infections in caecilians provides evidence of a broad geographic and host range. However, the source of these infections remains unknown and could be related to exposure in South America, the U.K. or to conditions in captivity. Copyright © 2016 Australian Society for Parasitology Inc. All rights reserved.

Thermal properties and phase transition in the fluoride, (NH{sub 4}){sub 3}SnF{sub 7}

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

Kartashev, A.V.; Astafijev Krasnoyarsk State Pedagogical University, 660049 Krasnoyarsk; Gorev, M.V.

2016-05-15

Calorimetric, dilatometric and differential thermal analysis studies were performed on (NH{sub 4}){sub 3}SnF{sub 7} for a wide range of temperatures and pressures. Large entropy (δS{sub 0}=22 J/mol K) and elastic deformation (δ(ΔV/V){sub 0}=0.89%) jumps have proven that the Pa-3↔Pm-3m phase transition is a strong first order structural transformation. A total entropy change of ΔS{sub 0}=32.5 J/mol K is characteristic for the order–disorder phase transition, and is equal to the sum of entropy changes in the related material, (NH{sub 4}){sub 3}TiF{sub 7}, undergoing transformation between the two cubic phases through the intermediate phases. Hydrostatic pressure decreases the stability of the highmore » temperature Pm-3m phase in (NH{sub 4}){sub 3}SnF{sub 7}, contrary to (NH{sub 4}){sub 3}TiF{sub 7}, characterised by a negative baric coefficient. The effect of experimental conditions on the chemical stability of (NH{sub 4}){sub 3}SnF{sub 7} was observed. - Graphical abstract: Strong first order structural transformation Pa-3↔Pm-3m in (NH{sub 4}){sub 3}SnF{sub 7} is associated with very large total entropy change of ΔS{sub 0}=32.5 J/mol K characteristic for the ordering processes and equal to the sum of entropy changes in the related (NH{sub 4}){sub 3}TiF{sub 7} undergoing transformation between the same two cubic phases through the intermediate phases. - Highlights: • (NH{sub 4}){sub 3}SnF{sub 7} undergoes strong first order Pa-3↔Pm-3m phase transition. • Anomalous behaviour of ΔC{sub p} and ΔV/V exists far below phase transition temperature. • Structural distortions are accompanied by huge total entropy change ΔS≈Rln50. • High pressure strongly increases the stability of Pa-3 phase in (NH{sub 4}){sub 3}SnF{sub 7}. • Entropy of the Pa-3↔Pm-3m phase transition does not depend on pressure.« less

Wide variation of prostate-specific antigen doubling time of untreated, clinically localized, low-to-intermediate grade, prostate carcinoma.

PubMed

Choo, Richard; Klotz, Laurence; Deboer, Gerrit; Danjoux, Cyril; Morton, Gerard C

2004-08-01

To assess the prostate specific antigen (PSA) doubling time of untreated, clinically localized, low-to-intermediate grade prostate carcinoma. A prospective single-arm cohort study has been in progress since November 1995 to assess the feasibility of a watchful-observation protocol with selective delayed intervention for clinically localized, low-to-intermediate grade prostate adenocarcinoma. The PSA doubling time was estimated from a linear regression of ln(PSA) against time, assuming a simple exponential growth model. As of March 2003, 231 patients had at least 6 months of follow-up (median 45) and at least three PSA measurements (median 8, range 3-21). The distribution of the doubling time was: < 2 years, 26 patients; 2-5 years, 65; 5-10 years, 42; 10-20 years, 26; 20-50 years, 16; >50 years, 56. The median doubling time was 7.0 years; 42% of men had a doubling time of >10 years. The doubling time of untreated clinically localized, low-to-intermediate grade prostate cancer varies widely.

Mechanism of IAPP amyloid fibril formation involves an intermediate with a transient β-sheet

PubMed Central

Buchanan, Lauren E.; Dunkelberger, Emily B.; Tran, Huong Q.; Cheng, Pin-Nan; Chiu, Chi-Cheng; Cao, Ping; Raleigh, Daniel P.; de Pablo, Juan J.; Nowick, James S.; Zanni, Martin T.

2013-01-01

Amyloid formation is implicated in more than 20 human diseases, yet the mechanism by which fibrils form is not well understood. We use 2D infrared spectroscopy and isotope labeling to monitor the kinetics of fibril formation by human islet amyloid polypeptide (hIAPP or amylin) that is associated with type 2 diabetes. We find that an oligomeric intermediate forms during the lag phase with parallel β-sheet structure in a region that is ultimately a partially disordered loop in the fibril. We confirm the presence of this intermediate, using a set of homologous macrocyclic peptides designed to recognize β-sheets. Mutations and molecular dynamics simulations indicate that the intermediate is on pathway. Disrupting the oligomeric β-sheet to form the partially disordered loop of the fibrils creates a free energy barrier that is the origin of the lag phase during aggregation. These results help rationalize a wide range of previous fragment and mutation studies including mutations in other species that prevent the formation of amyloid plaques. PMID:24218609

Assessments on landslide susceptibility in the Tseng-wen reservoir watershed, Taiwan

NASA Astrophysics Data System (ADS)

Chen, Yu-Chin; Chen, Yung-Chau; Chen, Wen-Fu

2014-05-01

Typhoon Morakot under the strong influence of southwestern monsoon wind struck Taiwan on 8 August 2009, and dumped record-breaking rains in southern Taiwan. It triggered enormous landslides in mountains and severe flooding in low-lying areas. In addition, it destroyed or damaged houses, agricultural fields, roads, bridges, and other infrastructure facilities, causing massive economic loss and, more tragically, human casualties. In order to evaluate landslide hazard and risk assessment, it is important to understand the potential sites of landslide and their spatial distribution. Multi-temporal satellite images and geo-spatial data are used to build landslide susceptibility map for the post-disaster in the Tseng-wen reservoir watershed in this research. Elevation, slope, aspect, NDVI (normalized differential vegetation index), relief, roughness, distance to river, and distance to road are the considered factors for estimating landslide susceptibility. Maximum hourly rainfall and total rainfall, accompanied with typhoon event, are selected as the trigger factors of landslide events. Logistic regression analysis is adopted as the statistical method to model landslide susceptibility. The assessed susceptibility is represented in 4 levels which are high, high-intermediate, intermediate, and low level, respectively. Landslide spatial distribution can be depicted as a landslide susceptibility map with respect to each considered influence factors for a specified susceptible level. The landslide areas are about 358 ha and 1,485 ha before and after typhoon Morakot. The new landslide area, induced by typhoon Morakot, is as almost 4 times as the landslide area before typhoon Morakot. In addition, there is about 44.56% landslide area elevation ranging from 500m to 1000m and about 57.22% average slope ranging from 30° to 45° of landslide area. Furthermore, the devastating landslides were happened at those sites close to rivers, exposed area, and area with big land cover change (high human development). Among considered factors, slope, distance to river, NDVI, and maximum hourly rainfall are the major influence factors for landslide susceptibility. The results show that the accuracy of predicted landslide area is 74.74% and AUC is 0.82 corresponding to typhoon Morakot. Comparing model predicted with actual landslide areas, it shows that the predicted accuracy is 93% for high or high-intermediate level landslide area. It suggests that a landslide susceptibility map, depicted by this assessment model, is applicable on landslide prediction.

Single-molecule studies highlight conformational heterogeneity in the early folding steps of a large ribozyme

PubMed Central

Xie, Zheng; Srividya, Narayanan; Sosnick, Tobin R.; Pan, Tao; Scherer, Norbert F.

2004-01-01

The equilibrium folding of the catalytic domain of Bacillus subtilis RNase P RNA is investigated by single-molecule fluorescence resonance energy transfer (FRET). Previous ensemble studies of this 255-nucleotide ribozyme described the equilibrium folding with two transitions, U-to-Ieq-to-N, and focused on the Ieq-to-N transition. The present study focuses on the U-to-Ieq transition. Comparative ensemble measurements of the ribozyme construct labeled with fluorescein at the 5′ end and Cy3 at the 3′ end show that modifications required for labeling do not interfere with folding and help to define the Mg2+ concentration range for the U-to-Ieq transition. Histogram analysis of the Mg2+-dependent single-molecule FRET efficiency reveals two previously undetermined folding intermediates. The single-molecule FRET trajectories exhibit non-two-state and nonergodic behaviors at intermediate Mg2+ concentrations on the time scale of seconds. The trajectories at intermediate Mg2+ concentrations are classified into five classes based on three FRET levels and their dynamics of interconversion within the measured time range. This heterogeneity, together with the observation of “nonsudden jump” FRET transitions, indicates that the early folding steps of this ribozyme involve a series of intermediates with different degrees of kinetic isolation and that folding occurs under kinetic control and involves many “local” conformational switches. A free energy contour is constructed to illustrate the complex folding surface. PMID:14704266

Effect of second-order exchange in electron-hydrogen scattering

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

Madison, D.H.; Bray, I.; McCarthy, I.

1990-05-07

The electron-hydrogen scattering problem has been a nemesis to theoretical atomic physicists due to the fact that even the most sophisticated of theoretical calculations, both perturbative and nonperturbative, do not agree with experiment. The current opinion is that the perturbative approach cannot be used for this problem since recent second-order calculations are not in agreement with the experimental data and higher-order calculations are deemed impractical. However, these second-order calculations neglected second-order exchange. We have now added exchange to the second-order calculation and have found that the primary source of disagreement between experiment and theory for intermediate energies is attributable notmore » to higher-order terms but to second-order exchange.« less

Fiber laser welding of austenitic steel and commercially pure copper butt joint

NASA Astrophysics Data System (ADS)

Kuryntsev, S. V.; Morushkin, A. E.; Gilmutdinov, A. Kh.

2017-03-01

The fiber laser welding of austenitic stainless steel and commercially pure copper in butt joint configuration without filler or intermediate material is presented. In order to melt stainless steel directly and melt copper via heat conduction a defocused laser beam was used with an offset to stainless steel. During mechanical tests the weld seam was more durable than heat affected zone of copper so samples without defects could be obtained. Three process variants of offset of the laser beam were applied. The following tests were conducted: tensile test of weldment, intermediate layer microhardness, optical metallography, study of the chemical composition of the intermediate layer, fractography. Measurements of electrical resistivity coefficients of stainless steel, copper and copper-stainless steel weldment were made, which can be interpreted or recalculated as the thermal conductivity coefficient. It shows that electrical resistivity coefficient of cooper-stainless steel weldment higher than that of stainless steel. The width of intermediate layer between stainless steel and commercially pure copper was 41-53 μm, microhardness was 128-170 HV0.01.

Intermediates and the folding of proteins L and G

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

Brown, Scott; Head-Gordon, Teresa

We use a minimalist protein model, in combination with a sequence design strategy, to determine differences in primary structure for proteins L and G that are responsible for the two proteins folding through distinctly different folding mechanisms. We find that the folding of proteins L and G are consistent with a nucleation-condensation mechanism, each of which is described as helix-assisted {beta}-1 and {beta}-2 hairpin formation, respectively. We determine that the model for protein G exhibits an early intermediate that precedes the rate-limiting barrier of folding and which draws together misaligned secondary structure elements that are stabilized by hydrophobic core contactsmore » involving the third {beta}-strand, and presages the later transition state in which the correct strand alignment of these same secondary structure elements is restored. Finally the validity of the targeted intermediate ensemble for protein G was analyzed by fitting the kinetic data to a two-step first order reversible reaction, proving that protein G folding involves an on-pathway early intermediate, and should be populated and therefore observable by experiment.« less

Intermediates and the folding of proteins L and G

PubMed Central

Brown, Scott; Head-Gordon, Teresa

2004-01-01

We use a minimalist protein model, in combination with a sequence design strategy, to determine differences in primary structure for proteins L and G, which are responsible for the two proteins folding through distinctly different folding mechanisms. We find that the folding of proteins L and G are consistent with a nucleation-condensation mechanism, each of which is described as helix-assisted β-1 and β-2 hairpin formation, respectively. We determine that the model for protein G exhibits an early intermediate that precedes the rate-limiting barrier of folding, and which draws together misaligned secondary structure elements that are stabilized by hydrophobic core contacts involving the third β-strand, and presages the later transition state in which the correct strand alignment of these same secondary structure elements is restored. Finally, the validity of the targeted intermediate ensemble for protein G was analyzed by fitting the kinetic data to a two-step first-order reversible reaction, proving that protein G folding involves an on-pathway early intermediate, and should be populated and therefore observable by experiment. PMID:15044729

Short range spread-spectrum radiolocation system and method

DOEpatents

Smith, Stephen F.

2003-04-29

A short range radiolocation system and associated methods that allow the location of an item, such as equipment, containers, pallets, vehicles, or personnel, within a defined area. A small, battery powered, self-contained tag is provided to an item to be located. The tag includes a spread-spectrum transmitter that transmits a spread-spectrum code and identification information. A plurality of receivers positioned about the area receive signals from a transmitting tag. The position of the tag, and hence the item, is located by triangulation. The system employs three different ranging techniques for providing coarse, intermediate, and fine spatial position resolution. Coarse positioning information is provided by use of direct-sequence code phase transmitted as a spread-spectrum signal. Intermediate positioning information is provided by the use of a difference signal transmitted with the direct-sequence spread-spectrum code. Fine positioning information is provided by use of carrier phase measurements. An algorithm is employed to combine the three data sets to provide accurate location measurements.

Two photon excitation of atomic oxygen

NASA Technical Reports Server (NTRS)

Pindzola, M. S.

1977-01-01

A standard perturbation expansion in the atom-radiation field interaction is used to calculate the two photon excitation cross section for 1s(2) 2s(2) 2p(4) p3 to 1s(2) 2s(2) 2p(3) (s4) 3p p3 transition in atomic oxygen. The summation over bound and continuum intermediate states is handled by solving the equivalent inhomogeneous differential equation. Exact summation results differ by a factor of 2 from a rough estimate obtained by limiting the intermediate state summation to one bound state. Higher order electron correlation effects are also examined.

Characterization of H 1743-322 during its 2003 outburst with TCAF Solution.

NASA Astrophysics Data System (ADS)

Nagarkoti, Shreeram; Debnath, Dipak; Chakrabarti, Sandip Kumar; Mondal, Santanu; Chatterjee, Arka

2016-07-01

Transiant black hole candidate (BHC) H 1743-322 became active in X-rays on 2003 March 21 after remaining dormant for around two decades. We study both the spectral and temporal properties of the source during its 2003 outburst under TCAF paradigm. The classification of different spectral states (hard, hard-intermediate, soft-intermediate, soft) and their intermediate transitions are more clear from the variation of TCAF model fitted/derived physical flow parameters and nature of quasi-periodic oscillations (if present). We also studied evolutions of low frequency QPOs during rising and declining phases of the outburst with propagating oscillatory shock (POS) model. We get a good estimation of the probable mass range of the objects from prediction methods using TCAF and POS model, as discussed in Molla et al. (2016).

Bars in Field and Cluster Galaxies at Intermediate Redshifts

NASA Astrophysics Data System (ADS)

Barazza, F. D.; Jablonka, P.; Ediscs Collaboration

2009-12-01

We present the first study of large-scale bars in clusters at intermediate redshifts (z=0.4-0.8). We compare the properties of the bars and their host galaxies in the clusters with those of a field sample in the same redshift range. We use a sample of 945 moderately inclined disk galaxies drawn from the EDisCS project. The morphological classification of the galaxies and the detection of bars are based on deep HST/ACS F814W images. The total optical bar fraction in the redshift range z=0.4-0.8, averaged over the entire sample, is 25%. This is lower than found locally, but in good agreement with studies of bars in field environments at intermediate redshifts. For the cluster and field subsamples, we measure bar fractions of 24% and 29%, respectively. In agreement with local studies, we find that disk-dominated galaxies have a higher bar fraction than bulge-dominated galaxies. We also find, based on a small subsample, that bars in clusters are on average longer than in the field and preferentially found close to the cluster center, where the bar fraction is somewhat higher than at larger distances.

Method for increasing the dynamic range of mass spectrometers

DOEpatents

Belov, Mikhail; Smith, Richard D.; Udseth, Harold R.

2004-09-07

A method for enhancing the dynamic range of a mass spectrometer by first passing a sample of ions through the mass spectrometer having a quadrupole ion filter, whereupon the intensities of the mass spectrum of the sample are measured. From the mass spectrum, ions within this sample are then identified for subsequent ejection. As further sampling introduces more ions into the mass spectrometer, the appropriate rf voltages are applied to a quadrupole ion filter, thereby selectively ejecting the undesired ions previously identified. In this manner, the desired ions may be collected for longer periods of time in an ion trap, thus allowing better collection and subsequent analysis of the desired ions. The ion trap used for accumulation may be the same ion trap used for mass analysis, in which case the mass analysis is performed directly, or it may be an intermediate trap. In the case where collection is an intermediate trap, the desired ions are accumulated in the intermediate trap, and then transferred to a separate mass analyzer. The present invention finds particular utility where the mass analysis is performed in an ion trap mass spectrometer or a Fourier transform ion cyclotron resonance mass spectrometer.

Theoretical kinetics study of the F((2)P) + NH3 hydrogen abstraction reaction.

PubMed

Espinosa-Garcia, J; Fernandez-Ramos, A; Suleimanov, Y V; Corchado, J C

2014-01-23

The hydrogen abstraction reaction of fluorine with ammonia represents a true chemical challenge because it is very fast, is followed by secondary abstraction reactions, which are also extremely fast, and presents an experimental/theoretical controversy about rate coefficients. Using a previously developed full-dimensional analytical potential energy surface, we found that the F + NH3 → HF + NH2 system is a barrierless reaction with intermediate complexes in the entry and exit channels. In order to understand the reactivity of the title reaction, thermal rate coefficidents were calculated using two approaches: ring polymer molecular dynamics and quasi-classical trajectory calculations, and these were compared with available experimental data for the common temperature range 276-327 K. The theoretical results obtained show behavior practically independent of temperature, reproducing Walther-Wagner's experiment, but in contrast with Persky's more recent experiment. However, quantitatively, our results are 1 order of magnitude larger than those of Walther-Wagner and reasonably agree with the Persky at the lowest temperature, questioning so Walther-Wagner's older data. At present, the reason for this discrepancy is not clear, although we point out some possible reasons in the light of current theoretical calculations.

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

Shephard, Jacob J.; Vickers, Martin; Salzmann, Christoph G., E-mail: c.salzmann@ucl.ac.uk

Low-density amorphous (LDA) ice is involved in critical cosmological processes and has gained prominence as one of the at least two distinct amorphous forms of ice. Despite these accolades, we still have an incomplete understanding of the structural diversity that is encompassed within the LDA state and the dynamic processes that take place upon heating LDA. Heating the high-pressure ice VIII phase at ambient pressure is a remarkable example of temperature-induced amorphisation yielding LDA. We investigate this process in detail using X-ray diffraction and Raman spectroscopy and show that the LDA obtained from ice VIII is structurally different from themore » more “traditional” states of LDA which are approached upon thermal annealing. This new structural relaxation pathway involves an increase of structural order on the intermediate range length scale. In contrast with other LDA materials the local structure is more ordered initially and becomes slightly more disordered upon annealing. We also show that the cascade of phase transitions upon heating ice VIII at ambient pressure includes the formation of ice IX which may be connected with the structural peculiarities of LDA from ice VIII. Overall, this study shows that LDA is a structurally more diverse material than previously appreciated.« less

Metastable phase formation in undercooled Fe-Co melts under terrestrial and parabolic flight conditions

NASA Astrophysics Data System (ADS)

Hermann, R.; Löser, W.; Lindenkreuz, H. G.; Yang-Bitterlich, W.; Mickel, Ch.; Diefenbach, A.; Schneider, S.; Dreier, W.

2007-12-01

Soft magnetic Fe-Co alloys display primary fcc phase solidification for>19,5 at% Co in conventional near-equilibrium solidification processes. Undercooled Fe-Co melt drops within the composition range of 30 to 50 at% Co have been investigated with the electromagnetic levitation technique. The solidification kinetics was measured in situ using a high-resolution Siphotodiode. Melt drops were undercooled up to 263 K below the liquidus temperature and subsequently quenched onto a chill substrate in order to characterize the solidification sequence and microstructure. The transition from stable fcc phase to metastable bcc primary phase solidification has been observed after reaching a critical undercooling level. The critical undercooling increases with rising Co content. The growth velocity drops obviously after transition to metastable bcc phase formation. Parabolic flight experiments were performed in order to study the phase selection under reduced gravity conditions. Under microgravity conditions, a much smaller critical undercooling and an increased life time of the metastable bcc phase were obtained. This result was validated with TEM investigations. The appearance of Fe-O particles gives an indirect hint for an intermediate fcc phase formation from the metastable bcc phase at elevated temperature.

Fasting glucose, obesity, and metabolic syndrome as predictors of type 2 diabetes: the Cooper Center Longitudinal Study.

PubMed

DeFina, Laura F; Vega, Gloria Lena; Leonard, David; Grundy, Scott M

2012-12-01

To determine risk for type 2 diabetes in subjects with fasting glucose levels in the ranges of normoglycemia, mild hyperglycemia, and intermediate hyperglycemia and to assess the effect of obesity and metabolic syndrome on this risk. Incidence of type 2 diabetes mellitus was evaluated in 28,209 relatively healthy subjects participating in the Cooper Center Longitudinal Study. They were included in the study if they had more than 1 fasting plasma glucose measurement, anthropometry, and other parameters of interest. Three subgroups were identified: normoglycemic (<5.6 mmol/L), mild hyperglycemia (5.6-6.0 mmol/L), and intermediate hyperglycemia (6.1-7.0 mmol/L). Diabetes incidence was calculated in categories of sex, age, obesity, and metabolic syndrome status. Incident diabetes was assessed at the earliest clinic visit at which the individual exhibited a blood glucose level of more than 7.0 mmol/L or reported a diagnosis of diabetes. Thirty-one percent of men and 15.9% of women had mild hyperglycemia and 11.9% of men and 3.6% of women had intermediate hyperglycemia. Yearly conversion rates to diabetes were low in individuals with normoglycemia and mild hyperglycemia but were strikingly higher in those with intermediate hyperglycemia. In subjects with intermediate hyperglycemia, presence of obesity and/or metabolic syndrome doubled conversion rates to diabetes. This study showed a marked difference in outcomes in subjects with mild and intermediate hyperglycemia. Moreover, obesity and metabolic syndrome were associated with strikingly elevated risk for diabetes in subjects with intermediate hyperglycemia. Thus intermediate hyperglycemia plus obesity/metabolic syndrome seemingly justifies intensive clinical intervention for prevention of both diabetes and cardiovascular disease.

Stochastic strong ground motion simulations for the intermediate-depth earthquakes of the south Aegean subduction zone

NASA Astrophysics Data System (ADS)

Kkallas, Harris; Papazachos, Konstantinos; Boore, David; Margaris, Vasilis

2015-04-01

We have employed the stochastic finite-fault modelling approach of Motazedian and Atkinson (2005), as described by Boore (2009), for the simulation of Fourier spectra of the Intermediate-depth earthquakes of the south Aegean subduction zone. The stochastic finite-fault method is a practical tool for simulating ground motions of future earthquakes which requires region-specific source, path and site characterizations as input model parameters. For this reason we have used data from both acceleration-sensor and broadband velocity-sensor instruments from intermediate-depth earthquakes with magnitude of M 4.5-6.7 that occurred in the south Aegean subduction zone. Source mechanisms for intermediate-depth events of north Aegean subduction zone are either collected from published information or are constrained using the main faulting types from Kkallas et al. (2013). The attenuation parameters for simulations were adopted from Skarladoudis et al. (2013) and are based on regression analysis of a response spectra database. The site amplification functions for each soil class were adopted from Klimis et al., (1999), while the kappa values were constrained from the analysis of the EGELADOS network data from Ventouzi et al., (2013). The investigation of stress-drop values was based on simulations performed with the EXSIM code for several ranges of stress drop values and by comparing the results with the available Fourier spectra of intermediate-depth earthquakes. Significant differences regarding the strong-motion duration, which is determined from Husid plots (Husid, 1969), have been identified between the for-arc and along-arc stations due to the effect of the low-velocity/low-Q mantle wedge on the seismic wave propagation. In order to estimate appropriate values for the duration of P-waves, we have automatically picked P-S durations on the available seismograms. For the S-wave durations we have used the part of the seismograms starting from the S-arrivals and ending at the 95%-energy limit of the Husid plots. After appropriate calibration of all parameters involved in the simulations we generated separate stochastic waveforms for both P- and S-waves, and produce the final synthetics by appropriate merging of the two stochastic waveforms. This work has been partly supported by the 3D-SEGMENTS project #1337 funded by EC European Social Fund and the Operational Programme "Education and Lifelong Learning" of the ARISTEIA-I call of the Greek Secretariat of Research and Technology.

Intermediate Models of Planetary Circulations in the Atmosphere and Ocean.

NASA Astrophysics Data System (ADS)

McWilliams, James C.; Gent, Peter R.

1980-08-01

Large-scale extratropical motions (with dimensions comparable to, or somewhat smaller than, the planetary radius) in the atmosphere and ocean exhibit a more restricted range of phenomena than are admissible in the primitive equations for fluid motions, and there have been many previous proposals for simpler, more phenomenologically limited models of these motions. The oldest and most successful of these is the quasi-geostrophic model. An extensive discussion is made of models intermediate between the quasi-geostrophic and primitive ones, some of which have been previously proposed [e.g., the balance equations (BE), where tendencies in the equation for the divergent component of velocity are neglected, or the geostrophic momentum approximation (GM), where ageostrophic accelerations are neglected relative to geostrophic ones] and some of which are derived here. Virtues of these models are assessed in the dual measure of nearly geostrophic momentum balance (i.e., small Rossby number) and approximate frontal structure (i.e., larger along-axis velocities and length scales than their cross-axis counterparts), since one or both of these circumstances is usually characteristic of planetary motions. Consideration is also given to various coordinate transformations, since they can yield simpler expressions for the governing differential equations of the intermediate models. In particular, a new set of coordinates is proposed, isentropic geostrophic coordinates,(IGC), which has the advantage of making implicit the advections due to ageostrophic horizontal and vertical velocities under various approximations. A generalization of quasi-geostrophy is made. named hypo-geostrophy (HG), which is an asymptotic approximation of one higher order accuracy in Rossby number. The governing equations are simplest in IGC for both HG and GM; we name the latter in these coordinates isentropic semi-geostrophy (ISG), in analogy to Hoskins' (1975) semi-geostrophy (SG). HG, GM and BE are, in our opinion, the three most valuable intermediate models for future consideration. HG and BE are superior to GM asymptotically in small Rossby number, but HG in IGC and GM are superior to HG in other coordinates and BE in frontal asymptotics. GM has global (not asymptotic) integral invariants of energy and enstrophy, which HG lacks, and this may assure physically better solutions in weakly asymptotic situations. BE has one global (energy) and one asymptotic (enstrophy) invariant. BE has difficulties of solution existence and uniqueness. Further progress in the search for intermediate models requires obtaining an extensive set of solutions for these models for comparison with quasi-geostrophic and primitive equation solutions.

Isothermal fatigue mechanisms in Ti-based metal matrix composites

NASA Technical Reports Server (NTRS)

Majumdar, Bhaskar S.; Newaz, Golam M.

1993-01-01

Stress-controlled isothermal fatigue experiments were performed at room temperature (RT) and 548 C (in argon) on (0)8 SCS6/Ti 15-3 metal matrix composites (MMC's) with 15 and 41 volume percent SCS6 (SiC) fibers. The primary objectives were to evaluate the mechanical responses, and to obtain a clear understanding of the damage mechanisms leading to failure of the MMC's. The mechanical data indicated that strain ranges attained fairly constant values in the stress-controlled experiments at both RT and 538 C, and remained so for more than 85 percent of life. The fatigue data for MMC's with different volume fraction fibers showed that MMC life was controlled by the imposed strain range rather than the stress range. At RT, and at low and intermediate strain ranges, the dominant fatigue mechanism was matrix fatigue, and this was confirmed metallurgically from fractographic evidence as well as from observations of channel type dislocation structures in the matrix of fatigued MMC specimens. Reaction-zone cracks acted as important crack initiating sites at RT, with their role being to facilitate slip band formation and consequent matrix crack initiation through classical fatigue mechanisms. MMC life agreed with matrix life at the lower strain ranges, but was smaller than matrix life at higher strain ranges. Unlike the case of monotonic deformation, debonding damage was another major damage mechanism during fatigue at RT, and it increased for higher strain ranges. At high strain ranges at RT, fractography and metallography showed an absence of matrix cracks, but long lengths of debonds in the outer layers of the SCS6 fibers. Such debonding and consequent rubbing during fatigue is believed to have caused fiber damage and their failure at high strain ranges. Thus, whereas life was matrix dominated at low and intermediate strain ranges, it was fiber dominated at high strain ranges. At 538 C, the mean stain constantly increased (ratchetting) with the number of cycles. At high strain ranges, such ratchetting led to overload failure of the fibers, and debonding of the type at RT was very small. At intermediate strain ranges, fractography showed large areas of matrix cracks. However, in spite of this matrix dominated mechanism, the MMC life at elevated temperatures was significantly less than the matrix fatigue life at all strain ranges. The reason for this difference is still unclear, although metallographic and fractographic evidences suggest that internal crack initiation sites at Mo-ribbons and reaction-zone cracks may have played a critical role, with the former tending to dominate.

Low-Dose-Rate Brachytherapy Versus Cryotherapy in Low- and Intermediate-Risk Prostate Cancer

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

Gestaut, Matthew M., E-mail: Matthew.Gestaut@BSWHealth.org; Cai, Wendi; Vyas, Shilpa

Purpose: Cryotherapy and brachytherapy are definitive local treatment options for low- to intermediate-risk prostate cancer. There are both prospective and retrospective data for brachytherapy, but the use of cryotherapy has been limited primarily to single-institution retrospective studies. Currently, no published evidence has compared low-dose-rate brachytherapy versus cryotherapy. Methods and Materials: Institutional review board approval was obtained to conduct a retrospective chart review of consecutive patients treated at our institution from 1990 to 2012. For inclusion, patients must have received a prostate cancer diagnosis and have been considered to have low- to intermediate-risk disease according to the National Comprehensive Cancer Networkmore » criteria. All patients received brachytherapy or cryotherapy treatment. Disease specifics and failure details were collected for all patients. Failure was defined as prostate-specific antigen nadir +2 ng/mL. Results: A total of 359 patients were analyzed. The groups comprised 50 low-risk cryotherapy (LRC), 92 intermediate-risk cryotherapy (IRC), 133 low-risk brachytherapy (LRB), and 84 intermediate-risk brachytherapy (IRB) patients. The median prostate-specific antigen follow-up periods were 85.6 months (LRC), 59.2 months (IRC), 74.9 months (LRB), and 59.8 months (IRB). The 5-year biochemical progression–free survival (bPFS) rate was 57.9% in the cryotherapy group versus 89.6% in the brachytherapy group (P<.0001). The 5-year bPFS rate was 70.0% (LRC), 51.4% (IRC), 89.4% (LRB), and 89.7% (IRB). The bPFS rate was significantly different between brachytherapy and cryotherapy for low- and intermediate-risk groups (P<.05). The mean nadir temperature reached for cryotherapy patients was −35°C (range, −96°C to −6°C). Cryotherapy used a median of 2 freeze-thaw cycles (range, 2-4 freeze-thaw cycles). Conclusions: Results from this study suggest that cryotherapy is inferior to brachytherapy for patients with low- to intermediate-risk prostate cancer. Patient selection criteria for consideration of cryotherapy and brachytherapy are similar in terms of anesthesia candidacy. Therefore, cryotherapy would not be recommended as a first-line local therapy for this particular patient subset.« less

The Jordy Electronic Magnification Device: Opinions, Observations, and Commentary

ERIC Educational Resources Information Center

Francis, Barry

2005-01-01

The Jordy electronic magnification device is one of a small number of electronic headborne devices designed to provide people with low vision the capability to perform near-range, intermediate-range, and distance viewing tasks. This report seeks to define the benefits of using the Jordy as a low vision device by people who are legally blind. The…

Revised Model of the Steady-state Solar Wind Halo Electron Velocity Distribution Function

NASA Astrophysics Data System (ADS)

Yoon, Peter H.; Kim, Sunjung; Choe, G. S.; moon, Y.-J.

2016-08-01

A recent study discussed the steady-state model for solar wind electrons during quiet time conditions. The electrons emanating from the Sun are treated in a composite three-population model—the low-energy Maxwellian core with an energy range of tens of eV, the intermediate ˜102-103 eV energy-range (“halo”) electrons, and the high ˜103-105 eV energy-range (“super-halo”) electrons. In the model, the intermediate energy halo electrons are assumed to be in resonance with transverse EM fluctuations in the whistler frequency range (˜102 Hz), while the high-energy super-halo electrons are presumed to be in steady-state wave-particle resonance with higher-frequency electrostatic fluctuations in the Langmuir frequency range (˜105 Hz). A comparison with STEREO and WIND spacecraft data was also made. However, ignoring the influence of Langmuir fluctuations on the halo population turns out to be an unjustifiable assumption. The present paper rectifies the previous approach by including both Langmuir and whistler fluctuations in the construction of the steady-state velocity distribution function for the halo population, and demonstrates that the role of whistler-range fluctuation is minimal unless the fluctuation intensity is arbitrarily raised. This implies that the Langmuir-range fluctuations, known as the quasi thermal noise, are important for both halo and super-halo electron velocity distribution.

Identifying the Structure of the Intermediate, Li 2/3CoPO 4, Formed during Electrochemical Cycling of LiCoPO 4

DOE PAGES

Strobridge, Fiona C.; Clément, Raphaële J.; Leskes, Michal; ...

2014-11-03

In situ synchrotron diffraction measurements and subsequent Rietveld refinements are used to show that the high energy density cathode material LiCoPO 4 (space group Pnma) undergoes two distinct two-phase reactions upon charge and discharge, both occurring via an intermediate Li 2/3(Co 2+) 2/3(Co 3+) 1/3PO 4 phase. Two resonances are observed for Li 2/3CoPO 4 with intensity ratios of 2:1 and 1:1 in the 31P and 7Li NMR spectra, respectively. An ordering of Co 2+/Co 3+ oxidation states is proposed within a (a × 3b × c) supercell, and Li +/vacancy ordering is investigated using experimental NMR data in combinationmore » with first-principles solid-state DFT calculations. In the lowest energy configuration, both the Co 3+ ions and Li vacancies are found to order along the b-axis. Two other low energy Li +/vacancy ordering schemes are found only 5 meV per formula unit higher in energy. All three configurations lie below the LiCoPO 4–CoPO 4 convex hull and they may be readily interconverted by Li + hops along the b-direction.« less

Generic approach to access barriers in dehydrogenation reactions

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

Yu, Liang; Vilella, Laia; Abild-Pedersen, Frank

The introduction of linear energy correlations, which explicitly relate adsorption energies of reaction intermediates and activation energies in heterogeneous catalysis, has proven to be a key component in the computational search for new and promising catalysts. A simple linear approach to estimate activation energies still requires a significant computational effort. To simplify this process and at the same time incorporate the need for enhanced complexity of reaction intermediates, we generalize a recently proposed approach that evaluates transition state energies based entirely on bond-order conservation arguments. Here, we show that similar variation of the local electronic structure along the reaction coordinatemore » introduces a set of general functions that accurately defines the transition state energy and are transferable to other reactions with similar bonding nature. With such an approach, more complex reaction intermediates can be targeted with an insignificant increase in computational effort and without loss of accuracy.« less

Corrosion behaviour of steel rebars embedded in a concrete designed for the construction of an intermediate-level radioactive waste disposal facility

NASA Astrophysics Data System (ADS)

Duffó, G. S.; Arva, E. A.; Schulz, F. M.; Vazquez, D. R.

2013-07-01

The National Atomic Energy Commission of the Argentine Republic is developing a nuclear waste disposal management programme that contemplates the design and construction of a facility for the final disposal of intermediate-level radioactive wastes. The repository is based on the use of multiple, independent and redundant barriers. The major components are made in reinforced concrete so, the durability of these structures is an important aspect for the facility integrity. This work presents an investigation performed on an instrumented reinforced concrete prototype specifically designed for this purpose, to study the behaviour of an intermediate level radioactive waste disposal facility from the rebar corrosion point of view. The information obtained will be used for the final design of the facility in order to guarantee a service life more or equal than the foreseen durability for this type of facilities.

Generic approach to access barriers in dehydrogenation reactions

DOE PAGES

Yu, Liang; Vilella, Laia; Abild-Pedersen, Frank

2018-03-08

The introduction of linear energy correlations, which explicitly relate adsorption energies of reaction intermediates and activation energies in heterogeneous catalysis, has proven to be a key component in the computational search for new and promising catalysts. A simple linear approach to estimate activation energies still requires a significant computational effort. To simplify this process and at the same time incorporate the need for enhanced complexity of reaction intermediates, we generalize a recently proposed approach that evaluates transition state energies based entirely on bond-order conservation arguments. Here, we show that similar variation of the local electronic structure along the reaction coordinatemore » introduces a set of general functions that accurately defines the transition state energy and are transferable to other reactions with similar bonding nature. With such an approach, more complex reaction intermediates can be targeted with an insignificant increase in computational effort and without loss of accuracy.« less

Durability of a reinforced concrete designed for the construction of an intermediate-level radioactive waste disposal facility

NASA Astrophysics Data System (ADS)

Duffó, G. S.; Arva, E. A.; Schulz, F. M.; Vazquez, D. R.

2012-01-01

The National Atomic Energy Commission of the Argentine Republic is developing a nuclear waste disposal management programme that contemplates the design and construction of a facility for the final disposal of intermediate-level radioactive wastes. The repository is based on the use of multiple, independent and redundant barriers. The major components are made in reinforced concrete so, the durability of these structures is an important aspect for the facility integrity. This work presents an investigation performed on a reinforced concrete specifically designed for this purpose, to predict the service life of the intermediate level radioactive waste disposal facility from data obtained with several techniques. Results obtained with corrosion sensors embedded in a concrete prototype are also included. The information obtained will be used for the final design of the facility in order to guarantee a service life more or equal than the foreseen durability for this type of facilities.

Internal friction and mode relaxation in a simple chain model.

PubMed

Fugmann, S; Sokolov, I M

2009-12-21

We consider the equilibrium relaxation properties of the end-to-end distance and of the principal components in a one-dimensional polymer chain model with nonlinear interaction between the beads. While for the single-well potentials these properties are similar to the ones of a Rouse chain, for the double-well interaction potentials, modeling internal friction, they differ vastly from the ones of the harmonic chain at intermediate times and intermediate temperatures. This minimal description within a one-dimensional model mimics the relaxation properties found in much more complex polymer systems. Thus, the relaxation time of the end-to-end distance may grow by orders of magnitude at intermediate temperatures. The principal components (whose directions are shown to coincide with the normal modes of the harmonic chain, whatever interaction potential is assumed) not only display larger relaxation times but also subdiffusive scaling.

A Multi-spectroscopic Investigation of Sulphur Speciation in Silicate Glasses and Slags

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

Bingham, P.; Connelly, A; Hand, R

2010-01-01

Sulphur K-edge x-ray absorption near-edge structure (XANES), sulphur K{sub {alpha}} and K{sub {beta}} high resolution x-ray emission spectroscopies (XES), electron paramagnetic resonance (EPR) and optical absorption spectroscopies have been used to study the speciation of sulphur in a range of soda-lime-silica glasses and silicate slags. Several inorganic standards with known sulphur oxidation states and structural environments have also been analysed. Results confirm that the average oxidation state of sulphur in glasses decreases, as expected, in the order (colourless>light olive>dark olive>light amber>dark amber). This behaviour is consistent with decreasing S{sup 6+}/{Sigma}S ratio, which has been quantified by linear combination fitting ofmore » XES S K{alpha} spectra, and with analysed sulphur contents which exhibit a characteristic relationship with oxygen partial pressure, pO{sub 2}. A combination of S{sup 6+}, S{sup 5+}, S{sup 4+} and more reduced sulphur species has been detected in olive and amber glasses. The S{sup 4+} and S{sup 5+} species are most evident in olive-coloured glasses produced under moderately reducing conditions that coincide with minimum sulphur solubilities. The reduced form of sulphur, present in all reduced glasses, is interpreted as being present as S{sup 2-} on the basis of XANES, XES, EPR and optical measurements. An alternative interpretation of the data is that there is a continuum of less strongly reduced species, primarily S{sup +} and S{sup 2+}; this interpretation has less merit. In this paper we show that the established relationship that describes sulphur redox only in terms of S{sup 6+} and S{sup 2-}, and which states that only these two species co-exist over a narrow, moderately reducing range of pO{sub 2}, does not fully describe the behaviour of S in the industrial, non-equilibrated glasses studied. Hence this relationship requires slight modification for non-equilibrated systems to explain the existence of intermediate sulphur oxidation states such as S{sup 4+} and S{sup 5+}, particularly within the intermediate pO{sub 2} range that corresponds with sulphur solubility minima.« less

INF and IAEA: A comparative analysis of verification strategy

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

Scheinman, L.; Kratzer, M.

1992-07-01

This is the final report of a study on the relevance and possible lessons of Intermediate Range Nuclear Force (INF) verification to the International Atomic Energy Agency (IAEA) international safeguards activities.

Intermediate Filaments Play a Pivotal Role in Regulating Cell Architecture and Function*

PubMed Central

Lowery, Jason; Kuczmarski, Edward R.; Herrmann, Harald; Goldman, Robert D.

2015-01-01

Intermediate filaments (IFs) are composed of one or more members of a large family of cytoskeletal proteins, whose expression is cell- and tissue type-specific. Their importance in regulating the physiological properties of cells is becoming widely recognized in functions ranging from cell motility to signal transduction. IF proteins assemble into nanoscale biopolymers with unique strain-hardening properties that are related to their roles in regulating the mechanical integrity of cells. Furthermore, mutations in the genes encoding IF proteins cause a wide range of human diseases. Due to the number of different types of IF proteins, we have limited this short review to cover structure and function topics mainly related to the simpler homopolymeric IF networks composed of vimentin, and specifically for diseases, the related muscle-specific desmin IF networks. PMID:25957409

Time-resolved distance determination by tryptophan fluorescence quenching: probing intermediates in membrane protein folding.

PubMed

Kleinschmidt, J H; Tamm, L K

1999-04-20

The mechanism of insertion and folding of an integral membrane protein has been investigated with the beta-barrel forming outer membrane protein A (OmpA) of Escherichia coli. This work describes a new approach to this problem by combining structural information obtained from tryptophan fluorescence quenching at different depths in the lipid bilayer with the kinetics of the refolding process. Experiments carried out over a temperature range between 2 and 40 degrees C allowed us to detect, trap, and characterize previously unidentified folding intermediates on the pathway of OmpA insertion and folding into lipid bilayers. Three membrane-bound intermediates were found in which the average distances of the Trps were 14-16, 10-11, and 0-5 A, respectively, from the bilayer center. The first folding intermediate is stable at 2 degrees C for at least 1 h. A second intermediate has been isolated at temperatures between 7 and 20 degrees C. The Trps move 4-5 A closer to the center of the bilayer at this stage. Subsequently, in an intermediate that is observable at 26-28 degrees C, the Trps move another 5-10 A closer to the center of the bilayer. The final (native) structure is observed at higher temperatures of refolding. In this structure, the Trps are located on average about 9-10 A from the bilayer center. Monitoring the evolution of Trp fluorescence quenching by a set of brominated lipids during refolding at various temperatures therefore allowed us to identify and characterize intermediate states in the folding process of an integral membrane protein.

The development of quick, robust, quantitative phenotypic assays for describing the host–nonhost landscape to stripe rust

PubMed Central

Dawson, Andrew M.; Bettgenhaeuser, Jan; Gardiner, Matthew; Green, Phon; Hernández-Pinzón, Inmaculada; Hubbard, Amelia; Moscou, Matthew J.

2015-01-01

Nonhost resistance is often conceptualized as a qualitative separation from host resistance. Classification into these two states is generally facile, as they fail to fully describe the range of states that exist in the transition from host to nonhost. This poses a problem when studying pathosystems that cannot be classified as either host or nonhost due to their intermediate status relative to these two extremes. In this study, we investigate the efficacy of the Poaceae-stripe rust (Puccinia striiformis Westend.) interaction for describing the host–nonhost landscape. First, using barley (Hordeum vulgare L.) and Brachypodium distachyon (L.) P. Beauv. We observed that macroscopic symptoms of chlorosis and leaf browning were associated with hyphal colonization by P. striiformis f. sp. tritici, respectively. This prompted us to adapt a protocol for visualizing fungal structures into a phenotypic assay that estimates the percent of leaf colonized. Use of this assay in intermediate host and intermediate nonhost systems found the frequency of infection decreases with evolutionary divergence from the host species. Similarly, we observed that the pathogen’s ability to complete its life cycle decreased faster than its ability to colonize leaf tissue, with no incidence of pustules observed in the intermediate nonhost system and significantly reduced pustule formation in the intermediate host system as compared to the host system, barley-P. striiformis f. sp. hordei. By leveraging the stripe rust pathosystem in conjunction with macroscopic and microscopic phenotypic assays, we now hope to dissect the genetic architecture of intermediate host and intermediate nonhost resistance using structured populations in barley and B. distachyon. PMID:26579142

Nonlinear dielectric properties of planar structures based on ferroelectric betaine phosphite films

NASA Astrophysics Data System (ADS)

Balashova, E. V.; Krichevtsov, B. B.; Svinarev, F. B.; Yurko, E. I.

2014-02-01

Ferroelectric films of partly deuterated betaine phosphite are grown on NdGaO3(001) substrates with an interdigitated system of electrodes on their surfaces by evaporation at room temperature. These films have a high capacitance in the ferroelectric phase transition range. The dielectric nonlinearity of the grown structures is studied in small-signal and strong-signal response modes and in the intermediate region between these two modes by measuring the capacitance in a dc bias field, dielectric hysteresis loops, and the Fourier spectra of an output signal in the Sawyer-Tower circuit. In the phase transition range, the capacitance control ratio at a bias voltage U bias = 40 V is K ≅ 7. The dielectric nonlinearity of the structures in the paraelectric phase is described by the Landau theory of second-order phase transitions. The additional contribution to the nonlinearity in the ferroelectric phase is related to the motion of domain walls and manifests itself when the input signal amplitude is higher than U st ˜ 0.7-1.0 V. The relaxation times of domain walls are determined from an analysis of the frequency dependences of the dielectric hysteresis.

Performance and long term degradation of 7 W micro-tubular solid oxide fuel cells for portable applications

NASA Astrophysics Data System (ADS)

Torrell, M.; Morata, A.; Kayser, P.; Kendall, M.; Kendall, K.; Tarancón, A.

2015-07-01

Micro-tubular SOFCs have shown an astonishing thermal shock resistance, many orders of magnitude larger than planar SOFCs, opening the possibility of being used in portable applications. However, only few studies have been devoted to study the degradation of large-area micro-tubular SOFCs. This work presents microstructural, electrochemical and long term degradation studies of single micro-tubular cells fabricated by high shear extrusion, operating in the intermediate range of temperatures (T∼700 °C). A maximum power of 7 W per cell has been measured in a wide range of fuel utilizations between 10% and 60% at 700 °C. A degradation rate of 360 mW/1000 h (8%) has been observed for cells operated over more than 1500 h under fuel utilizations of 40%. Higher fuel utilizations lead to strong degradations associated to nickel oxidation/reduction processes. Quick thermal cycling with heating ramp rates of 30 °C /min yielded degradation rates of 440 mW/100 cycles (9%). These reasonable values of degradation under continuous and thermal cycling operation approach the requirements for many portable applications including auxiliary power units or consumer electronics opening this typically forbidden market to the SOFC technology.

Turnover capacity of Coprinus cinereus peroxidase for phenol and monosubstituted phenols

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

Aitken, M.D.; Heck, P.E.

Coprinus cinereus peroxidase (CIP) and other peroxidases are susceptible to mechanism-based inactivation during the oxidation of phenolic substrates. The turnover capacity of CIP was quantified for phenol and 11 monosubstituted phenols under conditions in which enzyme inactivation by mechanisms involving hydrogen peroxide alone were minimized. Turnover capacities varied by nearly 2 orders of magnitude, depending on the substituent. On a mass basis, the enzyme consumption corresponding to the lowest turnover capacities is considerable and may influence the economic feasibility of proposed industrial applications of peroxidases. Within a range of substituent electronegativity values, molar turnover capacities correlated well (r{sup 2} =more » 0.89) with substituent effects quantified by radical {sigma} values and semiquantitatively with homolytic O-H bond dissociation energies of the phenolic substrates, suggesting that phenoxyl radical intermediates are probably involved in the suicide inactivation of CIP. The correlation range in each case did not include phenols with highly electron-withdrawing (nitro and cyano) substituents because they are not oxidized by CIP, nor phenols with highly electron-donating (hydroxy and amino) substituents because they led to virtually complete inactivation of the enzyme with minimal substrate removal.« less

Validating Analytical Protocols to Determine Selected Pesticides and PCBs Using Routine Samples.

PubMed

Pindado Jiménez, Oscar; García Alonso, Susana; Pérez Pastor, Rosa María

2017-01-01

This study aims at providing recommendations concerning the validation of analytical protocols by using routine samples. It is intended to provide a case-study on how to validate the analytical methods in different environmental matrices. In order to analyze the selected compounds (pesticides and polychlorinated biphenyls) in two different environmental matrices, the current work has performed and validated two analytical procedures by GC-MS. A description is given of the validation of the two protocols by the analysis of more than 30 samples of water and sediments collected along nine months. The present work also scopes the uncertainty associated with both analytical protocols. In detail, uncertainty of water sample was performed through a conventional approach. However, for the sediments matrices, the estimation of proportional/constant bias is also included due to its inhomogeneity. Results for the sediment matrix are reliable, showing a range 25-35% of analytical variability associated with intermediate conditions. The analytical methodology for the water matrix determines the selected compounds with acceptable recoveries and the combined uncertainty ranges between 20 and 30%. Analyzing routine samples is rarely applied to assess trueness of novel analytical methods and up to now this methodology was not focused on organochlorine compounds in environmental matrices.

Kinetic modelling of the oxidation of large aliphatic hydrocarbons using an automatic mechanism generation.

PubMed

Muharam, Yuswan; Warnatz, Jürgen

2007-08-21

A mechanism generator code to automatically generate mechanisms for the oxidation of large hydrocarbons has been successfully modified and considerably expanded in this work. The modification was through (1) improvement of the existing rules such as cyclic-ether reactions and aldehyde reactions, (2) inclusion of some additional rules to the code, such as ketone reactions, hydroperoxy cyclic-ether formations and additional reactions of alkenes, (3) inclusion of small oxygenates, produced by the code but not included in the handwritten C(1)-C(4) sub-mechanism yet, to the handwritten C(1)-C(4) sub-mechanism. In order to evaluate mechanisms generated by the code, simulations of observed results in different experimental environments have been carried out. Experimentally derived and numerically predicted ignition delays of n-heptane-air and n-decane-air mixtures in high-pressure shock tubes in a wide range of temperatures, pressures and equivalence ratios agree very well. Concentration profiles of the main products and intermediates of n-heptane and n-decane oxidation in jet-stirred reactors at a wide range of temperatures and equivalence ratios are generally well reproduced. In addition, the ignition delay times of different normal alkanes was numerically studied.

Investigation of guanosine-quartet assemblies by vibrational and electronic circular dichroism spectroscopy, a novel approach for studying supramolecular entities.

PubMed

Setnicka, Vladimír; Urbanová, Marie; Volka, Karel; Nampally, Sreenivasachary; Lehn, Jean-Marie

2006-11-24

The self-assembly of guanosine-5'-hydrazide G-1 in D(2)O, in the presence and absence of sodium cations, has been investigated by chiroptical techniques: electronic (ECD) and the newly introduced vibrational (VCD) circular dichroism spectroscopy. Using a combination of ECD and VCD with other methods such as IR, electron microscopy, and electrospray ionization mass spectrometry (ESI-MS) it was found that G-1 produces long-range chiral aggregates consisting of G-quartets, (G-1)(4), subsequently stacked into columns, [(G-1)(4)](n), induced by binding of metal cations between the (G-1)(4) species. This process, accompanied by gelation of the sample, is highly efficient in the presence of an excess of sodium cations, leading to aggregates with strong quartet-quartet interaction. Thermally induced conformational changes and conformational stability of guanosine-5'-hydrazide assemblies were studied by chiroptical techniques and the melting temperature of the hydrogels formed was obtained. The temperature-dependent experiments indicate that the long-range supramolecular aggregates are dissociated by increasing temperature into less ordered species, monomers, or other intermediates in equilibrium, as indicated by MS experiments.

Theoretical Heterogeneous Catalysis: Scaling Relationships and Computational Catalyst Design.

PubMed

Greeley, Jeffrey

2016-06-07

Scaling relationships are theoretical constructs that relate the binding energies of a wide variety of catalytic intermediates across a range of catalyst surfaces. Such relationships are ultimately derived from bond order conservation principles that were first introduced several decades ago. Through the growing power of computational surface science and catalysis, these concepts and their applications have recently begun to have a major impact in studies of catalytic reactivity and heterogeneous catalyst design. In this review, the detailed theory behind scaling relationships is discussed, and the existence of these relationships for catalytic materials ranging from pure metal to oxide surfaces, for numerous classes of molecules, and for a variety of catalytic surface structures is described. The use of the relationships to understand and elucidate reactivity trends across wide classes of catalytic surfaces and, in some cases, to predict optimal catalysts for certain chemical reactions, is explored. Finally, the observation that, in spite of the tremendous power of scaling relationships, their very existence places limits on the maximum rates that may be obtained for the catalyst classes in question is discussed, and promising strategies are explored to overcome these limitations to usher in a new era of theory-driven catalyst design.

Validation of the World Health Organization Enzyme-Linked Immunosorbent Assay for the Quantitation of Immunoglobulin G Serotype-Specific Anti-Pneumococcal Antibodies in Human Serum

PubMed Central

2017-01-01

The World Health Organization (WHO) enzyme-linked immunosorbent assay (ELISA) guideline is currently accepted as the gold standard for the evaluation of immunoglobulin G (IgG) antibodies specific to pneumococcal capsular polysaccharide. We conducted validation of the WHO ELISA for 7 pneumococcal serotypes (4, 6B, 9V, 14, 18C, 19F, and 23F) by evaluating its specificity, precision (reproducibility and intermediate precision), accuracy, spiking recovery test, lower limit of quantification (LLOQ), and stability at the Ewha Center for Vaccine Evaluation and Study, Seoul, Korea. We found that the specificity, reproducibility, and intermediate precision were within acceptance ranges (reproducibility, coefficient of variability [CV] ≤ 15%; intermediate precision, CV ≤ 20%) for all serotypes. Comparisons between the provisional assignments of calibration sera and the results from this laboratory showed a high correlation > 94% for all 7 serotypes, supporting the accuracy of the ELISA. The spiking recovery test also fell within an acceptable range. The quantification limit, calculated using the LLOQ, for each of the serotypes was 0.05–0.093 μg/mL. The freeze-thaw stability and the short-term temperature stability were also within an acceptable range. In conclusion, we showed good performance using the standardized WHO ELISA for the evaluation of serotype-specific anti-pneumococcal IgG antibodies; the WHO ELISA can evaluate the immune response against pneumococcal vaccines with consistency and accuracy. PMID:28875600

Validation of the World Health Organization Enzyme-Linked Immunosorbent Assay for the Quantitation of Immunoglobulin G Serotype-Specific Anti-Pneumococcal Antibodies in Human Serum.

PubMed

Lee, Hyunju; Lim, Soo Young; Kim, Kyung Hyo

2017-10-01

The World Health Organization (WHO) enzyme-linked immunosorbent assay (ELISA) guideline is currently accepted as the gold standard for the evaluation of immunoglobulin G (IgG) antibodies specific to pneumococcal capsular polysaccharide. We conducted validation of the WHO ELISA for 7 pneumococcal serotypes (4, 6B, 9V, 14, 18C, 19F, and 23F) by evaluating its specificity, precision (reproducibility and intermediate precision), accuracy, spiking recovery test, lower limit of quantification (LLOQ), and stability at the Ewha Center for Vaccine Evaluation and Study, Seoul, Korea. We found that the specificity, reproducibility, and intermediate precision were within acceptance ranges (reproducibility, coefficient of variability [CV] ≤ 15%; intermediate precision, CV ≤ 20%) for all serotypes. Comparisons between the provisional assignments of calibration sera and the results from this laboratory showed a high correlation > 94% for all 7 serotypes, supporting the accuracy of the ELISA. The spiking recovery test also fell within an acceptable range. The quantification limit, calculated using the LLOQ, for each of the serotypes was 0.05-0.093 μg/mL. The freeze-thaw stability and the short-term temperature stability were also within an acceptable range. In conclusion, we showed good performance using the standardized WHO ELISA for the evaluation of serotype-specific anti-pneumococcal IgG antibodies; the WHO ELISA can evaluate the immune response against pneumococcal vaccines with consistency and accuracy. © 2017 The Korean Academy of Medical Sciences.

Comparative techno-economic analysis and process design for indirect liquefaction pathways to distillate-range fuels via biomass-derived oxygenated intermediates upgrading

DOE PAGES

Tan, Eric C. D.; Snowden-Swan, Lesley J.; Talmadge, Michael; ...

2016-09-27

This paper presents a comparative techno-economic analysis (TEA) of five conversion pathways from biomass to gasoline-, jet-, and diesel-range hydrocarbons via indirect liquefaction with a specific focus on pathways utilizing oxygenated intermediates. The four emerging pathways of interest are compared with one conventional pathway (Fischer-Tropsch) for the production of the hydrocarbon blendstocks. The processing steps of the four emerging pathways include biomass-to-syngas via indirect gasification, syngas clean-up, conversion of syngas to alcohols/oxygenates followed by conversion of alcohols/oxygenates to hydrocarbon blendstocks via dehydration, oligomerization, and hydrogenation. Conversion of biomass-derived syngas to oxygenated intermediates occurs via three different pathways, producing: (i) mixedmore » alcohols over a MoS 2 catalyst, (ii) mixed oxygenates (a mixture of C 2+ oxygenated compounds, predominantly ethanol, acetic acid, acetaldehyde, ethyl acetate) using an Rh-based catalyst, and (iii) ethanol from syngas fermentation. This is followed by the conversion of oxygenates/alcohols to fuel-range olefins in two approaches: (i) mixed alcohols/ethanol to 1-butanol rich mixture via Guerbet reaction, followed by alcohol dehydration, oligomerization, and hydrogenation, and (ii) mixed oxygenates/ethanol to isobutene rich mixture and followed by oligomerization and hydrogenation. The design features a processing capacity of 2000 tonnes/day (2205 short tons) of dry biomass. The minimum fuel selling prices (MFSPs) for the four developing pathways range from 3.40 dollars to 5.04 dollars per gasoline-gallon equivalent (GGE), in 2011 US dollars. Sensitivity studies show that MFSPs can be improved with co-product credits and are comparable to the commercial Fischer-Tropsch benchmark ($3.58/GGE). Altogether, this comparative TEA study documents potential economics for the developmental biofuel pathways via mixed oxygenates.« less

Comparative techno-economic analysis and process design for indirect liquefaction pathways to distillate-range fuels via biomass-derived oxygenated intermediates upgrading

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

Tan, Eric C. D.; Snowden-Swan, Lesley J.; Talmadge, Michael

This paper presents a comparative techno-economic analysis (TEA) of five conversion pathways from biomass to gasoline-, jet-, and diesel-range hydrocarbons via indirect liquefaction with a specific focus on pathways utilizing oxygenated intermediates. The four emerging pathways of interest are compared with one conventional pathway (Fischer-Tropsch) for the production of the hydrocarbon blendstocks. The processing steps of the four emerging pathways include biomass-to-syngas via indirect gasification, syngas clean-up, conversion of syngas to alcohols/oxygenates followed by conversion of alcohols/oxygenates to hydrocarbon blendstocks via dehydration, oligomerization, and hydrogenation. Conversion of biomass-derived syngas to oxygenated intermediates occurs via three different pathways, producing: (i) mixedmore » alcohols over a MoS 2 catalyst, (ii) mixed oxygenates (a mixture of C 2+ oxygenated compounds, predominantly ethanol, acetic acid, acetaldehyde, ethyl acetate) using an Rh-based catalyst, and (iii) ethanol from syngas fermentation. This is followed by the conversion of oxygenates/alcohols to fuel-range olefins in two approaches: (i) mixed alcohols/ethanol to 1-butanol rich mixture via Guerbet reaction, followed by alcohol dehydration, oligomerization, and hydrogenation, and (ii) mixed oxygenates/ethanol to isobutene rich mixture and followed by oligomerization and hydrogenation. The design features a processing capacity of 2000 tonnes/day (2205 short tons) of dry biomass. The minimum fuel selling prices (MFSPs) for the four developing pathways range from 3.40 dollars to 5.04 dollars per gasoline-gallon equivalent (GGE), in 2011 US dollars. Sensitivity studies show that MFSPs can be improved with co-product credits and are comparable to the commercial Fischer-Tropsch benchmark ($3.58/GGE). Altogether, this comparative TEA study documents potential economics for the developmental biofuel pathways via mixed oxygenates.« less

Discovery of Compact Quiescent Galaxies at Intermediate Redshifts in DEEP2

NASA Astrophysics Data System (ADS)

Blancato, Kirsten; Chilingarian, Igor; Damjanov, Ivana; Moran, Sean; Katkov, Ivan

2015-01-01

Compact quiescent galaxies in the redshift range 0.6 < z < 1.1 are the missing link needed to complete the evolutionary histories of these objects from the high redshift z ≥ 2 Universe to the local z ~ 0 Universe. We identify the first intermediate redshift compact quiescent galaxies by searching a sample of 1,089 objects in the DEEP2 Redshift Survey that have multi-band photometry, spectral fitting, and readily available structural parameters. We find 27 compact quiescent candidates between z = 0.6 and z = 1.1 where each candidate galaxy has archival Hubble Space Telescope (HST) imaging and is visually confirmed to be early-type. The candidates have half-light radii ranging from 0.83 < Re,c < 7.14 kpc (median Re,c = 1.77 kpc) and virial masses ranging from 2.2E10 < Mdyn < 5.6E11 Msun (median Mdyn = 7.7E10 Msun). Of our 27 compact quiescent candidates, 13 are truly compact with sizes at most half of the size of their z ~ 0 counterparts of the same mass. In addition to their structural properties bridging the gap between their high and low redshift counterparts, our sample of intermediate redshift quiescent galaxies span a large range of ages but is drawn from two distinct epochs of galaxy formation: formation at z > 2 which suggests these objects may be the relics of the observed high redshift compact galaxies and formation at z ≤ 2 which suggests there is an additional population of more recently formed massive compact galaxies. This work is supported in part by the NSF REU and DOD ASSURE programs under NSF grant no. 1262851 and by the Smithsonian Institution.

The stellar populations of nearby early-type galaxies

NASA Astrophysics Data System (ADS)

Concannon, Kristi Dendy

The recent completion of comprehensive photometric and spectroscopic galaxy surveys has revealed that early-type galaxies form a more heterogeneous family than previously thought. To better understand the star formation histories of early-type galaxies, we have obtained a set of high resolution, high signal-to-noise ratio spectra for a sample of 180 nearby early-type galaxies with the FAST spectrograph and the 1.5m telescope at F. L. Whipple Observatory. The spectra cover the wavelength range 3500 5500 Å which allows the comparison of various Balmer lines, most importantly the higher order lines in the blue, and have a S/N ratio higher than that of previous samples, which makes it easier to investigate the intrinsic spread in the observed parameters. The data set contains galaxies in both the local field and Virgo cluster environment and spans the velocity dispersion range 50 < log σ < 250km s -1. In conjunction with recent improvements in population synthesis modeling, our data set enables us to investigate the star formation history of E/S0 galaxies as a function of mass (σ), environment, and to some extent morphology. We are able to probe the effects of age and metallicity on fundamental observable relations such as the Mg-σ relation, and show that there is a significant spread in age in such diagrams, at all log σ, such that their “uniformity” can not be interpreted as a homogeneous history for early-type galaxies. Analyzing the age and [Fe/H] distribution as a function of the galaxy mass, we find that an age-σ relation exists among galaxies in both the local field and the Virgo cluster, such that the lower log σ galaxies have younger luminosity-weighted mean ages. The age spread of the low σ galaxies suggests that essentially all of the low-mass galaxies contain young to intermediate age populations, whereas the spread in age of the high log σ galaxies (log σ >˜ 2.0) is much larger, with galaxies spanning the age range of 4 19 Gyr. Thus, rather than pointing to all Es and S0s being old, the data show that even the most massive galaxies in our sample span a range of intermediate to old ages.

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

Mehl, M; Kukkadapu, G; Kumar, K

The use of gasoline in homogeneous charge compression ignition engines (HCCI) and in duel fuel diesel - gasoline engines, has increased the need to understand its compression ignition processes under engine-like conditions. These processes need to be studied under well-controlled conditions in order to quantify low temperature heat release and to provide fundamental validation data for chemical kinetic models. With this in mind, an experimental campaign has been undertaken in a rapid compression machine (RCM) to measure the ignition of gasoline mixtures over a wide range of compression temperatures and for different compression pressures. By measuring the pressure history duringmore » ignition, information on the first stage ignition (when observed) and second stage ignition are captured along with information on the phasing of the heat release. Heat release processes during ignition are important because gasoline is known to exhibit low temperature heat release, intermediate temperature heat release and high temperature heat release. In an HCCI engine, the occurrence of low-temperature and intermediate-temperature heat release can be exploited to obtain higher load operation and has become a topic of much interest for engine researchers. Consequently, it is important to understand these processes under well-controlled conditions. A four-component gasoline surrogate model (including n-heptane, iso-octane, toluene, and 2-pentene) has been developed to simulate real gasolines. An appropriate surrogate mixture of the four components has been developed to simulate the specific gasoline used in the RCM experiments. This chemical kinetic surrogate model was then used to simulate the RCM experimental results for real gasoline. The experimental and modeling results covered ultra-lean to stoichiometric mixtures, compressed temperatures of 640-950 K, and compression pressures of 20 and 40 bar. The agreement between the experiments and model is encouraging in terms of first-stage (when observed) and second-stage ignition delay times and of heat release rate. The experimental and computational results are used to gain insight into low and intermediate temperature processes during gasoline ignition.« less

Thermal decomposition of sewage sludge under N2, CO2 and air: Gas characterization and kinetic analysis.

PubMed

Hernández, Ana Belén; Okonta, Felix; Freeman, Ntuli

2017-07-01

Thermochemical valorisation processes that allow energy to be recovered from sewage sludge, such as pyrolysis and gasification, have demonstrated great potential as convenient alternatives to conventional sewage sludge disposal technologies. Moreover, these processes may benefit from CO 2 recycling. Today, the scaling up of these technologies requires an advanced knowledge of the reactivity of sewage sludge and the characteristics of the products, specific to the thermochemical process. In this study the behaviour of sewage sludge during thermochemical conversion, under different atmospheres (N 2 , CO 2 and air), was studied, using TGA-FTIR, in order to understand the effects of different atmospheric gases on the kinetics of degradation and on the gaseous products. The different steps observed during the solid degradation were related with the production of different gaseous compounds. A higher oxidative degree of the atmosphere surrounding the sample resulted in higher reaction rates and a shift of the degradation mechanisms to lower temperatures, especially for the mechanisms taking place at temperatures above 400 °C. Finally, a multiple first-order reaction model was proposed to compare the kinetic parameters obtained under different atmospheres. Overall, the highest activation energies were obtained for combustion. This work proves that CO 2 , an intermediate oxidative atmosphere between N 2 and air, results in an intermediate behaviour (intermediate peaks in the derivative thermogravimetric curves and intermediate activation energies) during the thermochemical decomposition of sewage sludge. Overall, it can be concluded that the kinetics of these different processes require a different approach for their scaling up and specific consideration of their characteristic reaction temperatures and rates should be evaluated. Copyright © 2017 Elsevier Ltd. All rights reserved.

Mechanistic Studies on the Cis to Trans Epimerization of Trisubstituted-1,2,3,4-Tetrahydro-β-Carbolines

PubMed Central

Van Linn, Michael L.; Cook, James M.

2010-01-01

It is well known that Nb-benzyl tryptophan alkyl esters undergo the Pictet-Spengler reaction with aldehydes to furnish both cis and trans 1,2,3,4-tetrahydro-β-carbolines, with the trans isomer predominating. Epimerization at C-1 took place under acidic conditions to produce, exclusively, the thermodynamically more stable trans diastereomer via internal asymmetric induction. Recent kinetic experiments provided insight into the cis to trans epimerization mechanism involved in the Pictet-Spengler reaction of 1,2,3-trisubsituted tetrahydro-β-carbolines. Since the epimerization reaction had been shown to be sensitive to electronic effects at C-1, the rate data for a series of 1-phenyl-substituted-1,2,3,4-tetrahydro-β-carbolines was investigated via a Hammett study. Analysis of the data supported the presence of a positively charged intermediate with a ρ value of −1.4, although the existence of an iminium ion intermediate or a carbocationic intermediate could not be determined from this data alone. Analysis of the rate of epimerization demonstrated first-order kinetics with respect to TFA following the initial protonation of the substrate. This observation was consistent with the formation of a doubly protonated intermediate as the rate determining step in the carbocation-mediated cis to trans epimerization process. In addition, the observed first-order rate dependence was inconsistent with the retro Pictet-Spengler mechanism since protonation at the indole-2 position was not rate determining as demonstrated by kinetic isotope effects. Based on this kinetic data, the retro Pictet-Spengler pathway was ruled out for the cis to trans epimerization of 1,2,3-trisubstituted-1,2,3,4-tetrahydro-β-carbolines, while the olefinic mechanism had been ruled out by experiments carried out in TFA-d. PMID:20429580

Driving Forces of the Self-Assembly of Supramolecular Systems: Partially Ordered Mesophases

NASA Astrophysics Data System (ADS)

Shcherbina, M. A.; Chvalun, S. N.

2018-06-01

The main aspects are considered of the self-organization of a new class of liquid crystalline compounds, rigid sector-shaped and cone-shaped dendrons. Theoretical approaches to the self-assembly of different amphiphilic compounds (lipids, bolaamphiphiles, block copolymers, and polyelectrolytes) are described. Particular attention is given to the mesophase structures that emerge during the self-organization of mesophases characterized by intermediate degrees of ordering, e.g., plastic crystals, the rotation-crystalline phase in polymers, ordered and disordered two-dimensional columnar phases, and bicontinuous cubic phases of different symmetry.

Intermediate temperature proton conductors for PEM fuel cells based on phosphonic acid as protogenic group: a progress report.

PubMed

Steininger, H; Schuster, M; Kreuer, K D; Kaltbeitzel, A; Bingöl, B; Meyer, W H; Schauff, S; Brunklaus, G; Maier, J; Spiess, H W

2007-04-21

The melting behaviour and transport properties of straight chain alkanes mono- and difunctionalized with phosphonic acid groups have been investigated as a function of their length. The increase of melting temperature and decrease of proton conductivity with increasing chain length is suggested to be the consequence of an increasing ordering of the alkane segments which constrains the free aggregation of the phosphonic acid groups. However, the proton mobility is reduced to a greater extent than the proton diffusion coefficient indicating an increasing cooperativity of proton transport with increasing length of the alkane segment. The results clearly indicate that the "spacer concept", which had been proven successful in the optimization of the proton conductivity of heterocycle based systems, fails in the case of phosphonic acid functionalized polymers. Instead, a very high concentration of phosphonic acid functional groups forming "bulky" hydrogen bonded aggregates is suggested to be essential for obtaining very high proton conductivity. Aggregation is also suggested to reduce condensation reactions generally observed in phosphonic acid containing systems. On the basis of this understanding, the proton conductivities of poly(vinyl phosphonic acid) and poly(meta-phenylene phosphonic acid) are discussed. Though both polymers exhibit a substantial concentration of phosphonic acid groups, aggregation seems to be constrained to such an extent that intrinsic proton conductivity is limited to values below sigma = 10(-3) S cm(-1) at T = 150 degrees C. The results suggest that different immobilization concepts have to be developed in order to minimize the conductivity reduction compared to the very high intrinsic proton conductivity of neat phosphonic acid under quasi dry conditions. In the presence of high water activities, however, (as usually present in PEM fuel cells) the very high ion exchange capacities (IEC) possible for phosphonic acid functionalized ionomers (IEC >10 meq g(-1)) may allow for high proton conductivities in the intermediate temperature range (T approximately 120 -160 degrees C).