Electron detachment energies in high-symmetry alkali halide solvated-electron anions
NASA Astrophysics Data System (ADS)
Anusiewicz, Iwona; Berdys, Joanna; Simons, Jack; Skurski, Piotr
2003-07-01
We decompose the vertical electron detachment energies (VDEs) in solvated-electron clusters of alkali halides in terms of (i) an electrostatic contribution that correlates with the dipole moment (μ) of the individual alkali halide molecule and (ii) a relaxation component that is related to the polarizability (α) of the alkali halide molecule. Detailed numerical ab initio results for twelve species (MX)n- (M=Li,Na; X=F,Cl,Br; n=2,3) are used to construct an interpolation model that relates the clusters' VDEs to their μ and α values as well as a cluster size parameter r that we show is closely related to the alkali cation's ionic radius. The interpolation formula is then tested by applying it to predict the VDEs of four systems [i.e., (KF)2-, (KF)3-, (KCl)2-, and (KCl)3-] that were not used in determining the parameters of the model. The average difference between the model's predicted VDEs and the ab initio calculated electron binding energies is less than 4% (for the twelve species studied). It is concluded that one can easily estimate the VDE of a given high-symmetry solvated electron system by employing the model put forth here if the α, μ and cation ionic radii are known. Alternatively, if VDEs are measured for an alkali halide cluster and the α and μ values are known, one can estimate the r parameter, which, in turn, determines the "size" of the cluster anion.
2013-01-01
Background The paper presents the evaluation of soil contamination with total, water-available, mobile, semi-mobile and non-mobile Hg fractions in the surroundings of a former chlor-alkali plant in connection with several chemical soil characteristics. Principal Component Analysis and Cluster Analysis were used to evaluate the chemical composition variability of soil and factors influencing the fate of Hg in such areas. The sequential extraction EPA 3200-Method and the determination technique based on capacitively coupled microplasma optical emission spectrometry were checked. Results A case study was conducted in the Turda town, Romania. The results revealed a high contamination with Hg in the area of the former chlor-alkali plant and waste landfills, where soils were categorized as hazardous waste. The weight of the Hg fractions decreased in the order semi-mobile > non-mobile > mobile > water leachable. Principal Component Analysis revealed 7 factors describing chemical composition variability of soil, of which 3 attributed to Hg species. Total Hg, semi-mobile, non-mobile and mobile fractions were observed to have a strong influence, while the water leachable fraction a weak influence. The two-dimensional plot of PCs highlighted 3 groups of sites according to the Hg contamination factor. The statistical approach has shown that the Hg fate in soil is dependent on pH, content of organic matter, Ca, Fe, Mn, Cu and SO42- rather than natural components, such as aluminosilicates. Cluster analysis of soil characteristics revealed 3 clusters, one of which including Hg species. Soil contamination with Cu as sulfate and Zn as nitrate was also observed. Conclusions The approach based on speciation and statistical interpretation of data developed in this study could be useful in the investigation of other chlor-alkali contaminated areas. According to the Bland and Altman test the 3-step sequential extraction scheme is suitable for Hg speciation in soil, while the used determination method of Hg is appropriate. PMID:24252185
Helium cluster isolation spectroscopy
NASA Astrophysics Data System (ADS)
Higgins, John Paul
Clusters of helium, each containing ~103- 104 atoms, are produced in a molecular beam and are doped with alkali metal atoms (Li, Na, and K) and large organic molecules. Electronic spectroscopy in the visible and UV regions of the spectrum is carried out on the dopant species. Since large helium clusters are liquid and attain an equilibrium internal temperature of 0.4 K, they interact weakly with atoms or molecules absorbed on their surface or resident inside the cluster. The spectra that are obtained are characterized by small frequency shifts from the positions of the gas phase transitions, narrow lines, and cold vibrational temperatures. Alkali atoms aggregate on the helium cluster surface to form dimers and trimers. The spectra of singlet alkali dimers exhibit the presence of elementary excitations in the superfluid helium cluster matrix. It is found that preparation of the alkali molecules on the surface of helium clusters leads to the preferential formation of high-spin, van der Waals bound, triplet dimers and quartet trimers. Four bound-bound and two bound-free transitions are observed in the triplet manifold of the alkali dimers. The quartet trimers serve as an ideal system for the study of a simple unimolecular reaction in the cold helium cluster environment. Analysis of the lowest quartet state provides valuable insight into three-body forces in a van der Waals trimer. The wide range of atomic and molecular systems studied in this thesis constitutes a preliminary step in the development of helium cluster isolation spectroscopy, a hybrid technique combining the advantages of high resolution spectroscopy with the synthetic, low temperature environment of matrices.
Major signal suppression from metal ion clusters in SFC/ESI-MS - Cause and effects.
Haglind, Alfred; Hedeland, Mikael; Arvidsson, Torbjörn; Pettersson, Curt E
2018-05-01
The widening application area of SFC-MS with polar analytes and water-containing samples facilitates the use of quick and simple sample preparation techniques such as "dilute and shoot" and protein precipitation. This has also introduced new polar interfering components such as alkali metal ions naturally abundant in e.g. blood plasma and urine, which have shown to be retained using screening conditions in SFC/ESI-TOF-MS and causing areas of major ion suppression. Analytes co-eluting with these clusters will have a decreased signal intensity, which might have a major effect on both quantification and identification. When investigating the composition of the alkali metal clusters using accurate mass and isotopic pattern, it could be concluded that they were previously not described in the literature. Using NaCl and KCl standards and different chromatographic conditions, varying e.g. column and modifier, the clusters proved to be formed from the alkali metal ions in combination with the alcohol modifier and make-up solvent. Their compositions were [(XOCH 3 ) n + X] + , [(XOH) n + X] + , [(X 2 CO 3 ) n + X] + and [(XOOCOCH 3 ) n + X] + for X = Na + or K + in ESI+. In ESI-, the clusters depended more on modifier, with [(XCl) n + Cl] - and [(XOCH 3 ) n + OCH 3 ] - mainly formed in pure methanol and [(XOOCH) n + OOCH] - when 20 mM NH 4 Fa was added. To prevent the formation of the clusters by avoiding methanol as modifier might be difficult, as this is a widely used modifier providing good solubility when analyzing polar compounds in SFC. A sample preparation with e.g. LLE would remove the alkali ions, however also introducing a time consuming and discriminating step into the method. Since the alkali metal ions were retained and affected by chromatographic adjustments as e.g. mobile phase modifications, a way to avoid them could therefore be chromatographic tuning, when analyzing samples containing them. Copyright © 2018 Elsevier B.V. All rights reserved.
Chen, S.G.; Yang, R.T.
1997-01-01
From molecular orbital calculations, a unified mechanism is proposed for the gasification reactions of graphite by CO2 and H2O, both uncatalyzed and catalyzed by alkali and alkaline earth catalysts. In this mechanism, there are two types of oxygen intermediates that are bonded to the active edge carbon atoms: an in-plane semiquinone type, Cf(O), and an off-plane oxygen bonded to two saturated carbon atoms that are adjacent to the semiquinone species, C(O)Cf(O). The rate-limiting step is the decomposition of these intermediates by breaking the C-C bonds that are connected to Cf(O). A new rate equation is derived for the uncatalyzed reactions, and that for the catalyzed reactions is readily available from the proposed mechanism. The proposed mechanism can account for several unresolved experimental observations: TPD and TK (transient kinetics) desorption results of the catalyzed systems, the similar activation energies for the uncatalyzed and catalyzed reactions, and the relative activities of the alkali and alkaline earth elements. The net charge of the edge carbon active site is substantially changed by gaining electron density from the alkali or alkaline earth element (by forming C-O-M, where M stands for metal). The relative catalytic activities of these elements can be correlated with their abilities of donating electrons and changing the net charge of the edge carbon atom. As shown previously (Chen, S. G.; Yang, R. T. J. Catal. 1993, 141, 102), only clusters of the alkali compounds are active. This derives from the ability of the clusters to dissociate CO2 and H2O to form O atoms and the mobility of the dissociated O atoms facilitated by the clusters.
Electronic structure of semiconducting alkali-metal silicides and germanides
NASA Astrophysics Data System (ADS)
Tegze, M.; Hafner, J.
1989-11-01
We present self-consistent linearized-muffin-tin-orbital calculations of the electronic structure of three alkali-metal germanides and silicides (KGe, NaGe, and NaSi). Like the alkali-metal-lead compounds investigated in our earlier work [M. Tegze and J. Hafner, Phys. Rev. B 39, 8263 (1989)] the Ge and Si compounds of the alkali metals form complex structures based on the packing of tetrahedral Ge4 and Si4 clusters. Our calculations show that all three compounds are narrow-gap semiconductors. The width of the energy gap depends on two main factors: the ratio of the intracluster to the intercluster interactions between the group-IV elements (which increases from Pb to Si) and the strength of the interactions between the alkali-metal atoms (which varies with the size ratio).
NASA Astrophysics Data System (ADS)
Sellaiyan, S.; Uedono, A.; Sivaji, K.; Janet Priscilla, S.; Sivasankari, J.; Selvalakshmi, T.
2016-10-01
Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 °C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 °C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 °C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F2 2+ and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F2 2+ to F+ and this F+ is converted into F centers at 416 nm.
NASA Astrophysics Data System (ADS)
Nakayama, Akira; Yamashita, Koichi
2001-01-01
Path integral Monte Carlo calculations have been performed to investigate the microscopic structure and thermodynamic properties of the AkṡHeN (Ak=Li, Na, K,N⩽300) clusters at T=0.5 K. Absorption spectra which correspond to the 2P←2S transitions of alkali atoms are also calculated within a pairwise additive model, which employs diatomic Ak-He potential energy curves. The size dependences of the cluster structure and absorption spectra that show the influence of the helium cluster environment are examined in detail. It is found that alkali atoms are trapped in a dimple on the helium cluster's surface and that, from the asymptotic behavior, the AkṡHe300 cluster, at least semiquantitatively, mimics the local structure of experimentally produced large helium clusters in the vicinity of alkali atoms. We have successfully reproduced the overall shapes of the spectra and explained their features from a static and structural point of view. The positions, relative intensities, and line widths of the absorption maxima are calculated to be in moderate agreement with experiments [F. Stienkemeier, J. Higgins, C. Callegari, S. I. Kanorsky, W. E. Ernst, and G. Scoles, Z. Phys. D 38, 253 (1996)].
Structure and Energetics of Clusters Relevant to Thorium Tetrachloride Melts
NASA Astrophysics Data System (ADS)
Akdeniz, Z.; Tosi, M. P.
2000-10-01
We study within an ionic model the structure and energetics of neutral and charged molecular clusters which may be relevant to molten ThCl4 and to its liquid mixtures with alkali chlorides, with reference to Raman scattering experiments by Photiadis and Papatheodorou. As stressed by these authors, the most striking facts for ThCl4 in comparison to other tetrachloride compounds (and in particular to ZrCl4) are the appreciable ionic conductivity of the pure melt and the continuous structural changes which occur in the melt mixtures with varying composition. After adjusting our model to data on the isolated ThCl4 tetrahedral molecule, we evaluate (i) the Th2Cl8 dimer and the singly charged species obtained from it by chlorine-ion transfer between two such neutral dimers; (ii) the ThCl6 and ThCl7 clusters both as charged anions and as alkali-compensated species; and (iii) various oligomers carrying positive or negative double charges. Our study shows that the characteristic structural properties of the ThCl4 compound and of the alkali-Th chloride systems are the consequence of the relatively high ionic character of the binding, which is already evident in the isolated ThCl4 monomer.
Al7CX (X=Li-Cs) clusters: Stability and the prospect for cluster materials
NASA Astrophysics Data System (ADS)
Ashman, C.; Khanna, S. N.; Pederson, M. R.; Kortus, J.
2000-12-01
Al7C clusters, recently found to have a high-electron affinity and exceptional stability, are shown to form ionic molecules when combined with alkali-metal atoms. Our studies, based on an ab initio gradient-corrected density-functional scheme, show that Al7CX (X=Li-Cs) clusters have a very low-electron affinity and a high-ionization potential. When combined, the two- and four-atom composite clusters of Al7CLi units leave the Al7C clusters almost intact. Preliminary studies indicate that Al7CLi may be suitable to form cluster-based materials.
New gas phase inorganic ion cluster species and their atmospheric implications
NASA Technical Reports Server (NTRS)
Maerk, T. D.; Peterson, K. I.; Castleman, A. W., Jr.
1980-01-01
Recent experimental laboratory observations, with high-pressure mass spectroscopy, have revealed the existence of previously unreported species involving water clustered to sodium dimer ions, and alkali metal hydroxides clustered to alkali metal ions. The important implications of these results concerning the existence of such species are here discussed, as well as how from a practical aspect they confirm the stability of certain cluster species proposed by Ferguson (1978) to explain masses recently detected at upper altitudes using mass spectrometric techniques.
Sonoluminescence and acoustic cavitation
NASA Astrophysics Data System (ADS)
Choi, Pak-Kon
2017-07-01
Sonoluminescence (SL) is light emission under high-temperature and high-pressure conditions of a cavitating bubble under intense ultrasound in liquid. In this review, the fundamentals of the interactions between the sound field and the bubble, and between bubbles are explained. Experimental results on high-speed shadowgraphy of bubble dynamics and multibubble SL are shown, demonstrating that the SL intensity is closely related to the bubble dynamics. SL studies of alkali-metal atom (Na and K) emission are summarized. The spectral measurements in solutions with different noble-gas dissolutions and in surfactant solutions, and the results of spatiotemporal separation of SL distribution strongly suggested that the site of alkali-metal atom emission is the gas phase inside bubbles. The spectral studies indicated that alkali-metal atom lines are composed of two kinds of lines: a component that is broadened and shifted from the original D lines arises from van der Waals molecules formed between alkali-metal atoms and noble-gas atoms under extreme conditions at bubble collapse. The other spectral component exhibiting no broadening and no shift was suggested to originate from higher temperature bubbles than those producing the broadened component.
Indirect NMR spin-spin coupling constants in diatomic alkali halides
NASA Astrophysics Data System (ADS)
Jaszuński, Michał; Antušek, Andrej; Demissie, Taye B.; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth
2016-12-01
We report the Nuclear Magnetic Resonance (NMR) spin-spin coupling constants for diatomic alkali halides MX, where M = Li, Na, K, Rb, or Cs and X = F, Cl, Br, or I. The coupling constants are determined by supplementing the non-relativistic coupled-cluster singles-and-doubles (CCSD) values with relativistic corrections evaluated at the four-component density-functional theory (DFT) level. These corrections are calculated as the differences between relativistic and non-relativistic values determined using the PBE0 functional with 50% exact-exchange admixture. The total coupling constants obtained in this approach are in much better agreement with experiment than the standard relativistic DFT values with 25% exact-exchange, and are also noticeably better than the relativistic PBE0 results obtained with 50% exact-exchange. Further improvement is achieved by adding rovibrational corrections, estimated using literature data.
Monte Carlo simulation of the mixed alkali effect with cooperative jumps
NASA Astrophysics Data System (ADS)
Habasaki, Junko; Hiwatari, Yasuaki
2000-12-01
In our previous works on molecular dynamics (MD) simulations of lithium metasilicate (Li2SiO3), it has been shown that the long time behavior of the lithium ions in Li2SiO3 has been characterized by the component showing the enhanced diffusion (Lévy flight) due to cooperative jumps. It has also been confirmed that the contribution of such component decreases by interception of the paths in the mixed alkali silicate (LiKSiO3). Namely, cooperative jumps of like ions are much decreased in number owing to the interception of the path for unlike alkali-metal ions. In the present work, we have performed a Monte Carlo simulation using a cubic lattice in order to establish the role of the cooperative jumps in the transport properties in a mixed alkali glass. Fixed particles (blockage) were introduced instead of the interception of the jump paths for unlike alkali-metal ions. Two types of cooperative motions (a pull type and a push type) were taken into account. Low-dimensionality of the jump path caused by blockage resulted in a decrease of a diffusion coefficient of the particles. The effect of blockage is enhanced when the cooperative motions were introduced.
Advances in high temperature components for AMTEC (alkali metal thermal-to-electric converter)
DOE Office of Scientific and Technical Information (OSTI.GOV)
Williams, R.M.; Jeffries-Nakamura, B.; Underwood, M.L.
1991-12-31
Long lifetimes are required for AMTEC (or sodium heat engine) components for aerospace and terrestrial applications, and the high heat input temperature as well as the alkali metal liquid and vapor environment places unusual demands on the materials used to construct AMTEC devices. In addition, it is important to maximize device efficiency and power density, while maintaining a long life capability. In addition to the electrode, which must provide both efficient electrode kinetics, transport of the alkali metal, and low electrical resistance, other high temperature components of the cell face equally demanding requirements. The beta{double_prime} alumina solid electrolyte (BASE), themore » seal between the BASE ceramic and its metallic transition to the hot alkali metal (liquid or vapor) source, and metallic components of the device are exposed to hot liquid alkali metal. Modification of AMTEC components may also be useful in optimizing the device for particular operating conditions. In particular, a potassium AMTEC may be expected to operate more efficiently at lower temperatures.« less
Advances in high temperature components for AMTEC (alkali metal thermal-to-electric converter)
DOE Office of Scientific and Technical Information (OSTI.GOV)
Williams, R.M.; Jeffries-Nakamura, B.; Underwood, M.L.
1991-01-01
Long lifetimes are required for AMTEC (or sodium heat engine) components for aerospace and terrestrial applications, and the high heat input temperature as well as the alkali metal liquid and vapor environment places unusual demands on the materials used to construct AMTEC devices. In addition, it is important to maximize device efficiency and power density, while maintaining a long life capability. In addition to the electrode, which must provide both efficient electrode kinetics, transport of the alkali metal, and low electrical resistance, other high temperature components of the cell face equally demanding requirements. The beta{double prime} alumina solid electrolyte (BASE),more » the seal between the BASE ceramic and its metallic transition to the hot alkali metal (liquid or vapor) source, and metallic components of the device are exposed to hot liquid alkali metal. Modification of AMTEC components may also be useful in optimizing the device for particular operating conditions. In particular, a potassium AMTEC may be expected to operate more efficiently at lower temperatures.« less
NASA Astrophysics Data System (ADS)
Arcelus, Oier; Suaud, Nicolas; Katcho, Nebil A.; Carrasco, Javier
2017-05-01
Alkali-metal superoxides are gaining increasing interest as 2p magnetic materials for information and energy storage. Despite significant research efforts on bulk materials, gaps in our knowledge of the electronic and magnetic properties at the nanoscale still remain. Here, we focused on the role that structural details play in determining stability, electronic structure, and magnetic couplings of (MO2)n (M = Li, Na, and K, with n = 2-8) clusters. Using first-principles density functional theory based on the Perdew-Burke-Ernzerhof and Heyd-Scuseria-Ernzerhof functionals, we examined the effect of atomic structure on the relative stability of different polymorphs within each investigated cluster size. We found that small clusters prefer to form planar-ring structures, whereas non-planar geometries become more stable when increasing the cluster size. However, the crossover point depends on the nature of the alkali metal. Our analysis revealed that electrostatic interactions govern the highly ionic M-O2 bonding and ultimately control the relative stability between 2-D and 3-D geometries. In addition, we analyzed the weak magnetic couplings between superoxide molecules in (NaO2)4 clusters comparing model Hamiltonian methods based on Wannier function projections onto πg states with wave function-based multi-reference calculations.
Thermally stable solids based on endohedrally doped ZnS clusters.
Matxain, Jon M; Piris, Mario; Lopez, Xabier; Ugalde, Jesus M
2009-01-01
The existence of inorganic, hollow, fullerene-like ZnS clusters has been theoretically predicted and then recently confirmed experimentally. These clusters were observed to trap alkali metals and halogens because the ionization energies (IE) of alkali metals are very similar to the electron affinities (EA) of halogens. This opens the possibility of forming molecular solids composed of these fullerene building blocks because the energy released due to the difference between the IE and EA would be very small. Herein we have focused on assembling bare Zn(12)S(12) and endohedral X@Zn(12)S(12)-Y@Zn(12)S(12) dimers (X = Na, K; Y = Cl, Br) by considering the square-faces-square orientation of every two adjacent clusters, which leads to a fcc cubic crystal structure in the solid. The structures were fully optimized in all cases, and their thermal stability was confirmed by ab initio thermal molecular dynamics calculations. The optimum lattice parameter of the solids was found to be around 13.8 A, which corresponds to distances of about 2.5 A between monomers, which is typical of covalent Zn-S bonds. The resulting solids are nanoporous materials similar to B(12)N(12). Due to their nanoporous structure, these zeolite-shaped solids could be used in heterogeneous catalysis and as storage materials and molecular sieves.
Adsorption of alkali and alkaline earth metal atoms and dimers on monolayer germanium carbide
NASA Astrophysics Data System (ADS)
Gökçe, Aytaç Gürhan; Ersan, Fatih
2017-01-01
First-principles plane wave calculations have been performed to study the adsorption of alkali and alkaline earth metals on monolayer germanium carbide (GeC). We found that the favourable adsorption sites on GeC sheet for single alkali and alkaline earth adatoms are generally different from graphene or germanene. Among them, Mg, Na and their dimers have weakly bounded to GeC due to their closed valence electron shells, so they may have high mobility on GeC. Two different levels of adatom coverage (? and ?) have been investigated and we concluded that different electronic structures and magnetic moments for both coverages owing to alkali and alkaline earth atoms have long range electrostatic interactions. Lithium atom prefers to adsorbed on hollow site similar to other group-IV monolayers and the adsorption results in metallisation of GeC instead of semiconducting behaviour. Na and K adsorption can induce 1 ? total magnetic moment on GeC structures and they have shown semiconductor property which may have potential use in spintronic devices. We also showed that alkali or alkaline earth metal atoms can form dimer on GeC sheet. Calculated adsorption energies suggest that clustering of alkali and alkaline earth atoms is energetically favourable. All dimer adsorbed GeC systems have nonmagnetic semiconductor property with varying band gaps from 0.391 to 1.311 eV which are very suitable values for various device applications.
Reshaping and linking of molecules in ion-pair traps
NASA Astrophysics Data System (ADS)
Cochrane, Bryce; Naumkin, Fedor Y.
2016-01-01
A series of insertion complexes of small molecules trapped between alkali-halide counter-ions are investigated ab initio. The molecular shape is altered inside the complexes and varies in corresponding anions. Stabilities and charge distributions are investigated. Strong charge-transfer in the alkali-halide component effectively through the almost neutral molecule results in very large dipole moments. The most stable species is used to construct a dimer significantly bound via dipole-dipole interaction. Another complex with two alkali-halide diatoms trapping the molecule represents a unit of corresponding longer oligomer. This completes the array of systems with the molecule effectively in ion-pair, ion-dipole, dipole-pair electric fields.
Control of wavepacket dynamics in mixed alkali metal clusters by optimally shaped fs pulses
NASA Astrophysics Data System (ADS)
Bartelt, A.; Minemoto, S.; Lupulescu, C.; Vajda, Š.; Wöste, L.
We have performed adaptive feedback optimization of phase-shaped femtosecond laser pulses to control the wavepacket dynamics of small mixed alkali-metal clusters. An optimization algorithm based on Evolutionary Strategies was used to maximize the ion intensities. The optimized pulses for NaK and Na2K converged to pulse trains consisting of numerous peaks. The timing of the elements of the pulse trains corresponds to integer and half integer numbers of the vibrational periods of the molecules, reflecting the wavepacket dynamics in their excited states.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Farley, J.W.; Wing, W.H.
1981-05-01
A highly excited (Rydberg) atom bathed in blackbody radiation is perturbed in two ways. A dynamic Stark shift is induced by the off-resonant components of the blackbody radiation. Additionally, electric-dipole transitions to other atomic energy levels are induced by the resonant components of the blackbody radiation. This depopulation effect shortens the Rydberg-state lifetime, thereby broadening the energy level. Calculations of these two effects in many states of hydrogen, helium, and the alkali-metal atoms Li, Na, K, Rb, and Cs are presented for T = 300 K. Contributions from the entire blackbody spectrum and from both discrete and continuous perturbing statesmore » are included. The accuracy is considerably greater than that of previous estimates.« less
Structure and Binding of Ionic Clusters in Th and Zr Chloride Melts
NASA Astrophysics Data System (ADS)
Akdeniz, Z.; Tosi, M. P.
2001-11-01
We discuss microscopic ionic models for the structure and the binding of small clusters which may exist as structural units in molten ThCl4 and ZrCl4 and in their mixtures with alkali halides according to Raman scattering studies of Photiadis and Papatheodorou. The models are adjusted to the two isolated tetrahedral molecules. Appreciably higher ionicity is found for ThCl4 than for ZrCl4, and this fact underlies the strikingly different behaviour of the two systems in the dense liquid state -in particular, a molecular-type structure for molten ZrCl4 against a structure including charged oligomers in molten ThCl4.
Alkali-ion microsolvation with benzene molecules.
Marques, J M C; Llanio-Trujillo, J L; Albertí, M; Aguilar, A; Pirani, F
2012-05-24
The target of this investigation is to characterize by a recently developed methodology, the main features of the first solvation shells of alkaline ions in nonpolar environments due to aromatic rings, which is of crucial relevance to understand the selectivity of several biochemical phenomena. We employ an evolutionary algorithm to obtain putative global minima of clusters formed with alkali-ions (M(+)) solvated with n benzene (Bz) molecules, i.e., M(+)-(Bz)(n). The global intermolecular interaction has been decomposed in Bz-Bz and in M(+)-Bz contributions, using a potential model based on different decompositions of the molecular polarizability of benzene. Specifically, we have studied the microsolvation of Na(+), K(+), and Cs(+) with benzene molecules. Microsolvation clusters up to n = 21 benzene molecules are involved in this work and the achieved global minimum structures are reported and discussed in detail. We observe that the number of benzene molecules allocated in the first solvation shell increases with the size of the cation, showing three molecules for Na(+) and four for both K(+) and Cs(+). The structure of this solvation shell keeps approximately unchanged as more benzene molecules are added to the cluster, which is independent of the ion. Particularly stable structures, so-called "magic numbers", arise for various nuclearities of the three alkali-ions. Strong "magic numbers" appear at n = 2, 3, and 4 for Na(+), K(+), and Cs(+), respectively. In addition, another set of weaker "magic numbers" (three per alkali-ion) are reported for larger nuclearities.
Viscous sealing glass compositions for solid oxide fuel cells
Kim, Cheol Woon; Brow, Richard K.
2016-12-27
A sealant for forming a seal between at least two solid oxide fuel cell components wherein the sealant comprises a glass material comprising B.sub.2O.sub.3 as a principal glass former, BaO, and other components and wherein the glass material is substantially alkali-free and contains less than 30% crystalline material.
Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries
Deng, Zhi; Mo, Yifei; Ong, Shyue Ping
2016-03-25
The facile conduction of alkali ions in a crystal host is of crucial importance in rechargeable alkali-ion batteries, the dominant form of energy storage today. In this review, we provide a comprehensive survey of computational approaches to study solid-state alkali diffusion. We demonstrate how these methods have provided useful insights into the design of materials that form the main components of a rechargeable alkali-ion battery, namely the electrodes, superionic conductor solid electrolytes and interfaces. We will also provide a perspective on future challenges and directions. Here, the scope of this review includes the monovalent lithium- and sodium-ion chemistries that aremore » currently of the most commercial interest.« less
Electrochemical devices utilizing molten alkali metal electrode-reactant
Hitchcock, David C.; Mailhe, Catherine C.; De Jonghe, Lutgard C.
1986-01-01
Electrochemical cells are provided with a reactive metal to reduce the oxide of the alkali metal electrode-reactant. Cells employing a molten alkali metal electrode, e.g., sodium, in contact with a ceramic electrolyte, which is a conductor of the ions of the alkali metal forming the electrode, exhibit a lower resistance when a reactive metal, e.g., vanadium, is allowed to react with and reduce the alkali metal oxide. Such cells exhibit less degradation of the electrolyte and of the glass seals often used to joining the electrolyte to the other components of the cell under cycling conditions.
Electrochemical devices utilizing molten alkali metal electrode-reactant
Hitchcock, D.C.; Mailhe, C.C.; De Jonghe, L.C.
1985-07-10
Electrochemical cells are provided with a reactive metal to reduce the oxide of the alkali metal electrode-reactant. Cells employing a molten alkali metal electrode, e.g., sodium, in contact with a ceramic electrolyte, which is a conductor of the ions of the alkali metal forming the electrode, exhibit a lower resistance when a reactive metal, e.g., vanadium, is allowed to react with and reduce the alkali metal oxide. Such cells exhibit less degradation of the electrolyte and of the glass seals often used to joining the electrolyte to the other components of the cell under cycling conditions.
In vitro adhesion of fibroblastic cells to titanium alloy discs treated with sodium hydroxide.
Al Mustafa, Maisa; Agis, Hermann; Müller, Heinz-Dieter; Watzek, Georg; Gruber, Reinhard
2015-01-01
Adhesion of osteogenic cells on titanium surfaces is a prerequisite for osseointegration. Alkali treatment can increase the hydrophilicity of titanium implant surfaces, thereby supporting the adhesion of blood components. However, it is unclear if alkali treatment also supports the adhesion of cells with a fibroblastic morphology to titanium. Here, we have used a titanium alloy (Ti-6AL-4V) processed by alkali treatment to demonstrate the impact of hydrophilicity on the adhesion of primary human gingival fibroblast and bone cells. Also included were the osteosarcoma and fibroblastoma cell lines, MG63 and L929, respectively. Cell adhesion was determined by scanning electron microscopy. We also measured viability, proliferation, and protein synthesis of the adherent cells. Alkali treatment increased the adhesion of gingival fibroblasts, bone cells, and the two cell lines when seeded onto the titanium alloy surface for 1 h. At 3 h, no significant changes in cell adhesion were observed. Cells grown for 1 day on the titanium alloy surfaces processed by alkali treatment behave similarly to untreated controls with regard to viability, proliferation, and protein synthesis. Based on these preliminary In vitro findings, we conclude that alkali treatment can support the early adhesion of cells with fibroblastic characteristics to a titanium alloy surface. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.
Margheri, Maria C; Piccardi, Raffaella; Ventura, Stefano; Viti, Carlo; Giovannetti, Luciana
2003-05-01
Genotypic diversity of several cyanobacterial strains mostly isolated from marine or brackish waters, belonging to the genera Geitlerinema and Spirulina, was investigated by amplified 16S ribosomal DNA restriction analysis and compared with morphological features and response to salinity. Cluster analysis was performed on amplified 16S rDNA restriction profiles of these strains along with profiles obtained from sequence data of five Spirulina-like strains, including three representatives of the new genus Halospirulina. Our strains with tightly coiled trichomes from hypersaline waters could be assigned to the Halospirulina genus. Among the uncoiled strains, the two strains of hypersaline origin clustered together and were found to be distant from their counterparts of marine and freshwater habitat. Moreover, another cluster, formed by alkali-tolerant strains with tightly coiled trichomes, was well delineated.
Petrology of the Western Highland Province: Ancient crust formation at the Apollo 14 site
NASA Astrophysics Data System (ADS)
Shervais, John W.; McGee, James J.
1999-03-01
Plutonic rocks found at the Apollo 14 site comprise four lithologic suites: the magnesian suite, the alkali suite, evolved lithologies, and the ferroan anorthosite suite (FAN). Rocks of the magnesian suite include troctolite, anorthosite, norite, dunite, and harzburgite; they are characterized by plagioclase ~An95 and mafic minerals with mg#s 82-92. Alkali suite rocks and evolved rocks generally have plagioclase ~An90 to ~An40, and mafic minerals with mg#s 82-40. Lithologies include anorthosite, norite, quartz monzodiorite, granite, and felsite. Ferroan anorthosites have plagioclase ~An96 and mafic minerals with mg#s 45-70. Whole rock geochemical data show that most magnesian suite samples and all alkali anorthosites are cumulates with little or no trapped liquid component. Norites may contain significant trapped liquid component, and some alkali norites may represent cumulate-enriched, near-liquid compositions, similar to KREEP basalt 15386. Evolved lithologies include evolved partial cumulates related to alkali suite fractionation (quartz monzodiorite), immiscible melts derived from these evolved magmas (granites), and impact melts of preexisting granite (felsite). Plots of whole rock mg# versus whole rock Ca/(Ca+Na+K) show a distinct gap between rocks of the magnesian suite and rocks of the alkali suite, suggesting either distinct parent magmas or distinct physical processes of formation. Chondrite-normalized rare earth element (REE) patterns show that rocks of both the magnesian suite and alkali suite have similar ranges, despite the large difference in major element chemistry. Current models for the origin of the magnesian suite call for a komatiitic parent magma derived from early magma ocean cumulates; these melts must assimilate plagiophile elements to form troctolites at low pressures and must assimilate a highly enriched KREEP component so that the resulting mixture has REE concentrations similar to high-K KREEP. There are as yet no plausible scenarios that can explain these unusual requirements. We propose that partial melting of a primitive lunar interior and buffering of these melts by ultramagnesian early magma ocean cumulates provides a more reasonable pathway to form magnesian troctolites. Alkali anorthosites and norites formed by crystallization of a parent magma with major element compositions similar to KREEP basalt 15386. If the parent magma of the alkali suite and evolved rocks is related to the magnesian suite, then that magma must have evolved through combined assimilation-fractional crystallization processes to form the alkali suite cumulates.
Structure determination in 55-atom Li-Na and Na-K nanoalloys.
Aguado, Andrés; López, José M
2010-09-07
The structure of 55-atom Li-Na and Na-K nanoalloys is determined through combined empirical potential (EP) and density functional theory (DFT) calculations. The potential energy surface generated by the EP model is extensively sampled by using the basin hopping technique, and a wide diversity of structural motifs is reoptimized at the DFT level. A composition comparison technique is applied at the DFT level in order to make a final refinement of the global minimum structures. For dilute concentrations of one of the alkali atoms, the structure of the pure metal cluster, namely, a perfect Mackay icosahedron, remains stable, with the minority component atoms entering the host cluster as substitutional impurities. At intermediate concentrations, the nanoalloys adopt instead a core-shell polyicosahedral (p-Ih) packing, where the element with smaller atomic size and larger cohesive energy segregates to the cluster core. The p-Ih structures show a marked prolate deformation, in agreement with the predictions of jelliumlike models. The electronic preference for a prolate cluster shape, which is frustrated in the 55-atom pure clusters due to the icosahedral geometrical shell closing, is therefore realized only in the 55-atom nanoalloys. An analysis of the electronic densities of states suggests that photoelectron spectroscopy would be a sufficiently sensitive technique to assess the structures of nanoalloys with fixed size and varying compositions.
NASA Astrophysics Data System (ADS)
Hauser, Reas W.; Filatov, Michael; Ernst, Wolfgang E.
2013-06-01
We predict He-droplet-induced changes of the isotropic HFS constant a_{HFS} of the alkali-metal atoms M = Li, Na, K and Rb on the basis of a model description. Optically detected electron spin resonance spectroscopy has allowed high resolution measurements that show the influence of the helium droplet and its size on the unpaired electron spin density at the alkali nucleus. Our theoretical approach to describe this dependence is based on a combination of two well established techniques: Results of relativistic coupled-cluster calculations on the alkali-He dimers (energy and HFS constant as functions of the binding length) are mapped onto the doped-droplet-situation with the help of helium-density functional theory. We simulate doped droplets He_{N} with N ranging from 50 to 10000, using the diatomic alkali-He-potential energy curves as input. From the obtained density profiles we evaluate average distances between the dopant atom and its direct helium neighborhood. The distances are then set in relation to the variation of the HFS constant with binding length in the simplified alkali-He-dimer model picture. This method yields reliable relative shifts but involves a systematic absolute error. Hence, the absolute values of the shifts are tied to one experimentally determined HFS constant for ^{85}Rb-He_{N = 2000}. With this parameter choice we obtain results in good agreement with the available experimental data for Rb and K^{a,b} confirming the predicted 1/N trend of the functional dependence^{c}. M. Koch, G. Auböck, C. Callegari, and W. E. Ernst, Phys. Rev. Lett. 103, 035302-1-4 (2009) M. Koch, C. Callegari, and W. E. Ernst, Mol. Phys. 108 (7), 1005-1011 (2010) A. W. Hauser, T. Gruber, M. Filatov, and W. E. Ernst, ChemPhysChem (2013) online DOI: 10.1002/cphc.201200697
Chen, Zhang-Gai; Huang, Xia; Zhuang, Rong-Chuan; Zhang, Yu; Liu, Xin; Shi, Tao; Wang, Shuai-Hua; Wu, Shao-Fan; Mi, Jin-Xiao; Huang, Ya-Xi
2017-09-12
Germanophosphates, in comparison with other metal phosphates, have been less studied but potentially exhibit more diverse structural chemistry with wide applications. Herein we applied a hydro-/solvo-fluorothermal route to make use of both the "tailor effect" of fluoride for the formation of low dimensional anionic clusters and the presence of alkali cations of different sizes to align the anionic clusters to control the overall crystal symmetries of germanophosphates. The synergetic effects of fluoride and alkali cations led to structural changes from chain-like structures to layered structures in a series of five novel fluorogermanophosphates: A 2 [GeF 2 (HPO 4 ) 2 ] (A = Na, K, Rb, NH 4 , and Cs, denoted as Na, K, Rb, NH4, and Cs). Although these fluorogermanophosphates have stoichiometrically equivalent formulas, they feature different anionic clusters, diverse structural dimensionalities, and contrasting crystal symmetries. Chain-like structures were observed for the compounds with the smaller sized alkali ions (Na + , K + , and Rb + ), whereas layered structures were found for those containing the larger sized cations ((NH 4 ) + and Cs + ). Specifically, monoclinic space groups were observed for the Na, K, Rb, and NH4 compounds, whereas a tetragonal space group P4/mbm was found for the Cs compound. These compounds provide new insights into the effects of cation sizes on the anionic clusters built from GeO 4 F 2 octahedra and HPO 4 tetrahedra as well as their influences on the overall structural symmetries in germanophosphates. Further characterization including IR spectroscopy and thermal analyses for all five compounds is also presented.
Mostafa, Nadia M; Abdel-Fattah, Laila; Weshahy, Soheir A; Hassan, Nagiba Y; Boltia, Shereen A
2015-01-01
Five simple, accurate, precise, and economical spectrophotometric methods have been developed for the determination of cefixime trihydrate (CFX) in the presence of its acid and alkali degradation products without prior separation. In the first method, second derivative (2D) and first derivative (1D) spectrophotometry was applied to the absorption spectra of CFX and its acid (2D) or alkali (1D) degradation products by measuring the amplitude at 289 and 308 nm, respectively. The second method was a first derivative (1DD) ratio spectrophotometric method where the peak amplitudes were measured at 311 nm in presence of the acid degradation product, and 273 and 306 nm in presence of its alkali degradation product. The third method was ratio subtraction spectrophotometry where the drug is determined at 286 nm in laboratory-prepared mixtures of CFX and its acid or alkali degradation product. The fourth method was based on dual wavelength analysis; two wavelengths were selected at which the absorbances of one component were the same, so wavelengths 209 and 252 nm were used to determine CFX in presence of its acid degradation product and 310 and 321 nm in presence of its alkali degradation product. The fifth method was bivariate spectrophotometric calibration based on four linear regression equations obtained at the wavelengths 231 and 290 nm, and 231 and 285 nm for the binary mixture of CFX with either its acid or alkali degradation product, respectively. The developed methods were successfully applied to the analysis of CFX in laboratory-prepared mixtures and pharmaceutical formulations with good recoveries, and their validation was carried out following the International Conference on Harmonization guidelines. The results obtained were statistically compared with each other and showed no significant difference with respect to accuracy and precision.
NASA Astrophysics Data System (ADS)
Karuna, Nardrapee
Rice straw, a high-abundance lignocellulosic residue from rice production has tremendous potential as a feedstock for biofuel production in California. In this study, the impact of post-alkali pretreatment conditioning schemes on enzyme saccharification efficiency was examined, particularly focusing on understanding resulting biomass compositional impacts on water interactions with the biomass and enzyme accessibility to the cellulose fraction. Rice straw was pretreated with sodium hydroxide and subsequently washed by two different conditions: 1) by extensive washing with distilled water to reduce the pH to the optimum for cellulases which is pH 5--6, and 2) immediate pH adjustment to pH 5--6 with hydrochloric acid before extensive washing with distilled water. The two post-pretreatment conditions gave significant differences in ash, acid-insoluble lignin, glucan and xylan compositions. Alkali pretreatment improved cellulase digestibility of rice straw, and water washing improved enzymatic digestibility more than neutralization. Hydrolysis reactions with a purified Trichoderma reesei Cel7A, a reducing-end specific cellulase, demonstrated that the differences in saccharification are likely due to differences in the accessibility of the cellulose fraction to the cellulolytic enzymes. Further analyses were conducted to study the mobility of the water associated with the rice straw samples by measuring T2 relaxation times of the water protons by 1H-Nuclear Magnetic Resonance (NMR) relaxometry. Results showed significant changes in water association with the rice straw due to the pretreatment and due to the two different post-pretreatment conditions. Pretreatment increased the amount of water at the surface of the rice straw samples as indicated by increased amplitude of the shortest T2 time peaks in the relaxation spectra. Moreover, the amount of water in the first T2 pool in the water washed sample was significantly greater than in the neutralized sample. These results suggest that the specific surface area of rice straw accessible to water protons was increased by the alkali pretreatment, likely due to solubilization of alkali-soluble components of the cell walls. Post-pretreatment processes resulted in differences in the specific surface area likely due to re-precipitation of alkali solubilized components during neutralization. The T2 relaxation times of the surface water pool in washed and raw rice straw were not significantly different, at 4.4 and 4.5 ms, respectively, but both T2 times were significantly shorter than that of the neutralized and then washed sample, at 5.5 ms. The expectation was that the T2 times of the surface water peaks would reflect differences in surface composition of the rice straw samples. Further analysis of surface composition is necessary to further interpret the shortest T2 times observed in the samples. The T2 spectra of the rice straw samples contained longer T2 time peaks that were interpreted as differences in porosity of the rice straw due to the treatments. Pretreatment caused physical changes to rice straw that impacted water organization (3 peaks to 4 peaks), but the amount of water in the peaks were greater in the washed rice straw than the neutralized rice straw suggesting that water-washed rice straw had more of the larger pores than the neutralized and then washed rice straw. One possible explanation is that the neutralization caused precipitation of alkali solubilized components that filled the volumes of the pores.
Geng, Jing; Wang, Wen-Liang; Yu, Yu-Xiang; Chang, Jian-Min; Cai, Li-Ping; Shi, Sheldon Q
2017-03-01
The composition of pyrolysis vapors obtained from alkali lignin pyrolysis with the additive of nickel formate was examined using the pyrolysis gas chromatography-mass spectrometry (Py-GC/MS). Characterization of bio-chars was performed using X-ray diffraction (XRD). Results showed that the nickel formate significantly increased liquid yield, simplified the types of alkali lignin pyrolysis products and increased individual component contents. The additive of nickel formate increased contents of alkylphenols and aromatics from alkali lignin pyrolysis. With an increase in temperature, a greater amount of the relative contents can be achieved. The nickel formate was thermally decomposed to form hydrogen, resulting in hydrodeoxygenation of alkali lignin during pyrolysis. It was also found that Ni is in favor of producing alkylphenols. The analysis based on the experimental result provided evidences used to propose reaction mechanism for pyrolysis of nickel formate-assisted alkali lignin. Copyright © 2016. Published by Elsevier Ltd.
NASA Astrophysics Data System (ADS)
Poppe, Sam; Barette, Florian; Smets, Benoît; Benbakkar, Mhammed; Kervyn, Matthieu
2016-04-01
The Virunga Volcanic Province (VVP) is situated within the western branch of the East-African Rift. The geochemistry and petrology of its' volcanic products has been studied extensively in a fragmented manner. They represent a unique collection of silica-undersaturated, ultra-alkaline and ultra-potassic compositions, displaying marked geochemical variations over the area occupied by the VVP. We present a novel spatially-explicit database of existing whole-rock geochemical analyses of the VVP volcanics, compiled from international publications, (post-)colonial scientific reports and PhD theses. In the database, a total of 703 geochemical analyses of whole-rock samples collected from the 1950s until recently have been characterised with a geographical location, eruption source location, analytical results and uncertainty estimates for each of these categories. Comparative box plots and Kruskal-Wallis H tests on subsets of analyses with contrasting ages or analytical methods suggest that the overall database accuracy is consistent. We demonstrate how statistical techniques such as Principal Component Analysis (PCA) and subsequent cluster analysis allow the identification of clusters of samples with similar major-element compositions. The spatial patterns represented by the contrasting clusters show that both the historically active volcanoes represent compositional clusters which can be identified based on their contrasted silica and alkali contents. Furthermore, two sample clusters are interpreted to represent the most primitive, deep magma source within the VVP, different from the shallow magma reservoirs that feed the eight dominant large volcanoes. The samples from these two clusters systematically originate from locations which 1. are distal compared to the eight large volcanoes and 2. mostly coincide with the surface expressions of rift faults or NE-SW-oriented inherited Precambrian structures which were reactivated during rifting. The lava from the Mugogo eruption of 1957 belongs to these primitive clusters and is the only known to have erupted outside the current rift valley in historical times. We thus infer there is a distributed hazard of vent opening susceptibility additional to the susceptibility associated with the main Virunga edifices. This study suggests that the statistical analysis of such geochemical database may help to understand complex volcanic plumbing systems and the spatial distribution of volcanic hazards in active and poorly known volcanic areas such as the Virunga Volcanic Province.
Choi, Young Cheol; Lee, Han Myoung; Kim, Woo Youn; Kwon, S K; Nautiyal, Tashi; Cheng, Da-Yong; Vishwanathan, K; Kim, Kwang S
2007-02-16
On the basis of first-principles calculations of clusters and one dimensional infinitely long subnanowires of the binary systems, we find that alkali-noble metal alloy wires show better linearity and stability than either pure alkali metal or noble metal wires. The enhanced alternating charge buildup on atoms by charge transfer helps the atoms line up straight. The cesium doped gold wires showing significant charge transfer from cesium to gold can be stabilized as linear or circular monoatomic chains.
Partial oxidation process for producing a stream of hot purified gas
Leininger, Thomas F.; Robin, Allen M.; Wolfenbarger, James K.; Suggitt, Robert M.
1995-01-01
A partial oxidation process for the production of a stream of hot clean gas substantially free from particulate matter, ammonia, alkali metal compounds, halides and sulfur-containing gas for use as synthesis gas, reducing gas, or fuel gas. A hydrocarbonaceous fuel comprising a solid carbonaceous fuel with or without liquid hydrocarbonaceous fuel or gaseous hydrocarbon fuel, wherein said hydrocarbonaceous fuel contains halides, alkali metal compounds, sulfur, nitrogen and inorganic ash containing components, is reacted in a gasifier by partial oxidation to produce a hot raw gas stream comprising H.sub.2, CO, CO.sub.2, H.sub.2 O, CH.sub.4, NH.sub.3, HCl, HF, H.sub.2 S, COS, N.sub.2, Ar, particulate matter, vapor phase alkali metal compounds, and molten slag. The hot raw gas stream from the gasifier is split into two streams which are separately deslagged, cleaned and recombined. Ammonia in the gas mixture is catalytically disproportionated into N.sub.2 and H.sub.2. The ammonia-free gas stream is then cooled and halides in the gas stream are reacted with a supplementary alkali metal compound to remove HCl and HF. Alkali metal halides, vaporized alkali metal compounds and residual fine particulate matter are removed from the gas stream by further cooling and filtering. The sulfur-containing gases in the process gas stream are then reacted at high temperature with a regenerable sulfur-reactive mixed metal oxide sulfur sorbent material to produce a sulfided sorbent material which is then separated from the hot clean purified gas stream having a temperature of at least 1000.degree. F.
Partial oxidation process for producing a stream of hot purified gas
Leininger, T.F.; Robin, A.M.; Wolfenbarger, J.K.; Suggitt, R.M.
1995-03-28
A partial oxidation process is described for the production of a stream of hot clean gas substantially free from particulate matter, ammonia, alkali metal compounds, halides and sulfur-containing gas for use as synthesis gas, reducing gas, or fuel gas. A hydrocarbonaceous fuel comprising a solid carbonaceous fuel with or without liquid hydrocarbonaceous fuel or gaseous hydrocarbon fuel, wherein said hydrocarbonaceous fuel contains halides, alkali metal compounds, sulfur, nitrogen and inorganic ash containing components, is reacted in a gasifier by partial oxidation to produce a hot raw gas stream comprising H{sub 2}, CO, CO{sub 2}, H{sub 2}O, CH{sub 4}, NH{sub 3}, HCl, HF, H{sub 2}S, COS, N{sub 2}, Ar, particulate matter, vapor phase alkali metal compounds, and molten slag. The hot raw gas stream from the gasifier is split into two streams which are separately deslagged, cleaned and recombined. Ammonia in the gas mixture is catalytically disproportionated into N{sub 2} and H{sub 2}. The ammonia-free gas stream is then cooled and halides in the gas stream are reacted with a supplementary alkali metal compound to remove HCl and HF. Alkali metal halides, vaporized alkali metal compounds and residual fine particulate matter are removed from the gas stream by further cooling and filtering. The sulfur-containing gases in the process gas stream are then reacted at high temperature with a regenerable sulfur-reactive mixed metal oxide sulfur sorbent material to produce a sulfided sorbent material which is then separated from the hot clean purified gas stream having a temperature of at least 1000 F. 1 figure.
Stegmaier, Saskia; Fässler, Thomas F
2011-12-14
The synthesis and crystal structure of the first ternary A-Cu-Sn intermetallic phases for the heavier alkali metals A = Na to Cs is reported. The title compounds A(12)Cu(12)Sn(21) show discrete 33-atom intermetalloid Cu-Sn clusters {Sn@Cu(12)@Sn(20)}, which are composed of {Sn(20)} pentagonal dodecahedra surrounding {Cu(12)} icosahedra with single Sn atoms at the center. Na(12)Cu(12)Sn(21) and K(12)Cu(12)Sn(21) were characterized by single-crystal XRD studies, and the successful synthesis of analogous A-Cu-Sn compounds with A = Rb and Cs is deduced from powder XRD data. The isotypic A(12)Cu(12)Sn(21) phases crystallize in the cubic space group Pn ̅3m (No. 224), with the Cu-Sn clusters adopting a face centered cubic arrangement. A formal charge of 12- can be assigned to the {Sn@Cu(12)@Sn(20)} cluster unit, and the interpretation of the title compounds as salt-like intermetallic phases featuring discrete anionic intermetalloid [Sn@Cu(12)@Sn(20)](12-) clusters separated by alkali metal cations is supported by electronic structure calculations. For both Na(12)Cu(12)Sn(21) and K(12)Cu(12)Sn(21), DFT band structure calculations (TB-LMTO-ASA) reveal a band gap. The discrete [Sn@Cu(12)@Sn(20)](12-) cluster is analyzed in consideration of the molecular orbitals obtained from hybrid DFT calculations (Gaussian 09) for the cluster anion. The [Sn@Cu(12)@Sn(20)](12-) cluster MOs can be classified with labels indicating the numbers of radial and angular nodes, in the style of spherical shell models of cluster bonding. © 2011 American Chemical Society
Electrolytic method for the production of lithium using a lithium-amalgam electrode
Cooper, John F.; Krikorian, Oscar H.; Homsy, Robert V.
1979-01-01
A method for recovering lithium from its molten amalgam by electrolysis of the amalgam in an electrolytic cell containing as a molten electrolyte a fused-salt consisting essentially of a mixture of two or more alkali metal halides, preferably alkali metal halides selected from lithium iodide, lithium chloride, potassium iodide and potassium chloride. A particularly suitable molten electrolyte is a fused-salt consisting essentially of a mixture of at least three components obtained by modifying an eutectic mixture of LiI-KI by the addition of a minor amount of one or more alkali metal halides. The lithium-amalgam fused-salt cell may be used in an electrolytic system for recovering lithium from an aqueous solution of a lithium compound, wherein electrolysis of the aqueous solution in an aqueous cell in the presence of a mercury cathode produces a lithium amalgam. The present method is particularly useful for the regeneration of lithium from the aqueous reaction products of a lithium-water-air battery.
DOE Office of Scientific and Technical Information (OSTI.GOV)
ALAM,TODD M.
Monte Carlo simulations of phosphate tetrahedron connectivity distributions in alkali and alkaline earth phosphate glasses are reported. By utilizing a discrete bond model, the distribution of next-nearest neighbor connectivities between phosphate polyhedron for random, alternating and clustering bonding scenarios was evaluated as a function of the relative bond energy difference. The simulated distributions are compared to experimentally observed connectivities reported for solid-state two-dimensional exchange and double-quantum NMR experiments of phosphate glasses. These Monte Carlo simulations demonstrate that the polyhedron connectivity is best described by a random distribution in lithium phosphate and calcium phosphate glasses.
Li, Xiaobo; Patterson, Howard H.
2013-01-01
Dicyanoaurate, dicyanoargentate, and dicyanocuprate ions in solution and doped in different alkali halide hosts exhibit interesting photophysical and photochemical behavior, such as multiple emission bands, exciplex tuning, optical memory, and thermochromism. This is attributed to the formation of different sizes of nanoclusters in solution and in doped hosts. A series of spectroscopic methods (luminescence, UV-reflectance, IR, and Raman) as well as theoretical calculations have confirmed the existence of excimers and exciplexes. This leads to the tunability of these nano systems over a wide wavelength interval. The population of these nanoclusters varies with temperature and external laser irradiation, which explains the thermochromism and optical memory. DFT calculations indicate an MLCT transition for each nanocluster and the emission energy decreases with increasing cluster size. This is in agreement with the relatively long life-time for the emission peaks and the multiple emission peaks dependence upon cluster concentration. PMID:28811397
On the method of positron lifetime measurement
NASA Technical Reports Server (NTRS)
Nishiyama, F.; Shizuma, K.; Nasai, H.; Nishi, M.
1983-01-01
A fast-slow coincidence system was constructed for the measurement of positron lifetimes in material. The time resolution of this system was 270 ps for the (60)Co gamma rays. Positron lifetime spectra for 14 kinds of alkali halides were measured with this system. Two lifetime components and their intensities were derived from analyses of the lifetime spectra.
Marrot, Jérôme; Pilette, Marie Anne; Haouas, Mohamed; Floquet, Sébastien; Taulelle, Francis; López, Xavier; Poblet, Josep M; Cadot, Emmanuel
2012-01-25
The chemical system based on the [Mo(2)O(2)S(2)(OH(2))(6)](2+) aqua cation (noted L) and the trivacant [AsW(9)O(33)](9-) polyoxometalate (noted POM) has been investigated. Depending upon the ionic strength and the nature of the alkali cations, these complementary components assemble to yield three different architectures derived as hexamer (1), tetramer (2), and dimer (3). This series of clusters displays the same stoichiometry {POM(6)L(9)}(36-), {POM(4)L(6)}(24-), and {POM(2)L(3)}(12-) for 1, 2, and 3, respectively, and their conditions of formation differ mainly by the nature and the concentration of the alkali cation (from Li to Cs). Structural characterizations of 1 reveal a large hexameric supramolecular scaffold (about 25 Å in diameter), which encloses a large internal hole (about 200 Å(3)) filled by water molecules and alkali cations (Na(+) or K(+)). The hexameric scaffold 1 exhibits a rare flexibility property evidenced in the solid state by two distinct conformations, either eclipsed (1a) or staggered-off (1b). Both conformations appear clearly separated by a large twist angle (~40°) and depend mainly on the composition of the internal hole. Structure of anion 2 shows a tetrahedral arrangement where the four POM units and the six connecting {Mo(2)O(2)S(2)} linkers are located at the corners and at the edges, respectively. The structure of anion 3 corresponds to the simplest arrangement, described as a dimeric association of two POM units linked by three {Mo(2)S(2)O(2)} pillars. Stability of the hexameric scaffold has been investigated in solution by (183)W and (39)K NMR and by UV-vis, showing that stability of 1 depends strongly on the proportion of potassium ions, which interfere through host-guest exchange. Density functional methodology (DFT) has been applied to compute the geometries and energies of dimer (3), tetramer (2) and hexamer (1) based on {AsW(9)O(33)} (POM) and {Mo(2)O(2)S(2)} (L) units. Calculations tend to show that internal cations act as "glue" to maintain the POM units connected through the conformationally inward-directed {Mo(2)O(2)S(2)} linkers. © 2011 American Chemical Society
Method for inhibiting alkali metal corrosion of nickel-containing alloys
DeVan, Jackson H.; Selle, James E.
1983-01-01
Structural components of nickel-containing alloys within molten alkali metal systems are protected against corrosion during the course of service by dissolving therein sufficient aluminum, silicon, or manganese to cause the formation and maintenance of a corrosion-resistant intermetallic reaction layer created by the interaction of the molten metal, selected metal, and alloy.
Coherent control of alkali cluster fragmentation dynamics
NASA Astrophysics Data System (ADS)
Lindinger, Albrecht; Lupulescu, Cosmin; Bartelt, Andreas; Vajda, Štefan; Wöste, Ludger
2003-06-01
Metal clusters exhibit extraordinary chemical and catalytic properties, which sensitively depend upon their size. This behavior makes them interesting candidates for the real-time analysis of ultrafast photo-induced processes—ultimately leading to coherent control scenarii. We have performed transient multi-photon ionization experiments on small alkali clusters of different size in order to probe their wave packet dynamics, structural reorientations, charge transfers and dissociative events in different vibrationally excited electronic states including their ground state. The observed processes were highly dependent on the irradiated pulse parameters, like its phase, amplitude and duration; an emphasis to employ a feedback control system for generating the optimum pulse shapes. Their spectral and temporal behavior reflects interesting properties about the investigated system and the irradiated photochemical process. We present first the vibrational dynamics of bound, dissociated, and pre-dissociated electronically excited states of alkali dimers and trimers. The scheme for observing the wave packet dynamics in the electronic ground state using stimulated Raman-pumping is shown. Since the employed pulse parameters significantly influence the efficiency of the irradiated dynamic pathways photo-induced fragmentation experiments on bifurcating reaction channels were carried out. In these experiments different branching ionization and fragmentation pathways of electronically excited Na 2K were investigated. By employing an evolutionary algorithm for optimizing the phase and amplitude of the applied laser field, the yield of the resulting parent or fragment ions could significantly be influenced and interesting features could be concluded from the obtained optimum pulse shapes revealing the characteristic molecular oscillation period. Moreover, the influence on the optimal pulse shape due to fragmentation from larger clusters into NaK is obtained. The substructure of the optimal pulse shape thereby offers new insight into the fragmentation channel during the control process. Characteristic motions of the involved wave packets are proposed, in order to explain the optimized dynamic dissociation pathways.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Vlcek, Lukas; Uhlik, Filip; Moucka, Filip
We evaluate the ability of selected classical molecular models to describe the thermodynamic and structural aspects of gas-phase hydration of alkali halide ions and the formation of small water clusters. To understand the effect of many-body interactions (polarization) and charge penetration effects on the accuracy of a force field, we perform Monte Carlo simulations with three rigid water models using different functional forms to account for these effects: (i) point charge non-polarizable SPC/E, (ii) Drude point charge polarizable SWM4- DP, and (iii) Drude Gaussian charge polarizable BK3. Model predictions are compared with experimental Gibbs free energies and enthalpies of ionmore » hydration, and with microscopic structural properties obtained from quantum DFT calculations. We find that all three models provide comparable predictions for pure water clusters and cation hydration, but differ significantly in their description of anion hydration. None of the investigated classical force fields can consistently and quantitatively reproduce the experimental gas phase hydration thermodynamics. The outcome of this study highlights the relation between the functional form that describes the effective intermolecular interactions and the accuracy of the resulting ion hydration properties.« less
Spin-driven structural effects in alkali doped (4)He clusters from quantum calculations.
Bovino, S; Coccia, E; Bodo, E; Lopez-Durán, D; Gianturco, F A
2009-06-14
In this paper, we carry out variational Monte Carlo and diffusion Monte Carlo (DMC) calculations for Li(2)((1)Sigma(g) (+))((4)He)(N) and Li(2)((3)Sigma(u) (+))((4)He)(N) with N up to 30 and discuss in detail the results of our computations. After a comparison between our DMC energies with the "exact" discrete variable representation values for the species with one (4)He, in order to test the quality of our computations at 0 K, we analyze the structural features of the whole range of doped clusters. We find that both species reside on the droplet surface, but that their orientation is spin driven, i.e., the singlet molecule is perpendicular and the triplet one is parallel to the droplet's surface. We have also computed quantum vibrational relaxation rates for both dimers in collision with a single (4)He and we find them to differ by orders of magnitude at the estimated surface temperature. Our results therefore confirm the findings from a great number of experimental data present in the current literature and provide one of the first attempts at giving an accurate, fully quantum picture for the nanoscopic properties of alkali dimers in (4)He clusters.
A study on the dynamic interfacial tension of acidic crude oil/alkali (alkali-polymer) systems--
DOE Office of Scientific and Technical Information (OSTI.GOV)
Huang, Y.; Yang, P.; Qin, T.
1989-01-01
This paper describes the investigation of dynamic interfacial tension (DIFT) between the acidic Liao-He crude oil and two types of brine: a simple alkali system and a combined alkali-polymer system. It was found that interfacial tension (IFT) changed markedly with time and that the history of DIFT depended upon the concentration of alkali in the brine. The experimental results also showed that the IFT dropped dramatically as soon as the fresh oil contacted brine causing spontaneous emulsification to occur. The steady-state value of DIFT {gamma} st can be lower with the combined alkali-polymer system than with the simple alkali system.more » The results indicate that biopolymer is more effective than partially hydrolyzed polyacrylamide (PHPAM) for lowering {gamma} st and that Na{sub 2}Co{sub 1} causes a lower {gamma} st than NaOH in the combined alkali-polymer system. Optimized formulations containing Na{sub 2}CO{sub 3} added biopolymer can reduce {gamma} st by two orders of magnitude, and PHPAM can reduce {gamma} st by one order of magnitude. The interaction between alkali and polymer in the combined alkali-polymer system is discussed.« less
Method and product for phosphosilicate slurry for use in dentistry and related bone cements
Wagh, Arun S.; Primus, Carolyn
2006-08-01
The present invention is directed to magnesium phosphate ceramics and their methods of manufacture. The composition of the invention is produced by combining a mixture of a substantially dry powder component with a liquid component. The substantially dry powder component comprises a sparsely soluble oxide powder, an alkali metal phosphate powder, a sparsely soluble silicate powder, with the balance of the substantially dry powder component comprising at least one powder selected from the group consisting of bioactive powders, biocompatible powders, fluorescent powders, fluoride releasing powders, and radiopaque powders. The liquid component comprises a pH modifying agent, a monovalent alkali metal phosphate in aqueous solution, the balance of the liquid component being water. The use of calcined magnesium oxide as the oxide powder and hydroxylapatite as the bioactive powder produces a self-setting ceramic that is particularly suited for use in dental and orthopedic applications.
NASA Astrophysics Data System (ADS)
Galownia, Jonathan M.
This thesis is composed of two separate and unrelated projects. The first part of this thesis outlines an investigation into the synthesis and characterization of a novel zeolite supported super-base capable of carbon-carbon olefin addition to alkyl aromatics. A zeolite supported basic material capable of such reactions would benefit many fine chemical syntheses, as well as vastly improve the economics associated with production of the high performance thermoplastic polyester polyethylene naphthalate. The thermal decomposition of alkali---metal azides impregnated in zeolite X is investigated as a novel route to the synthesis of a zeolite supported super-base. Impregnation of the alkali---metal azide precursor is shown to result in azide species occluded within the pores of the zeolite support by using high speed, solid-state 23Na MAS and 2D MQMAS NMR, FTIR, and TGA characterization methods. Addition of alkali---metal azides to the zeolite results in redistribution of the extra-lattice cations in the zeolite framework. Thermal decomposition of impregnated azide species produces further cation redistribution, but no neutral metallic clusters are detected by high speed, solid-state 23Na MAS NMR following thermal activation of the materials. Instead, it is possible that inactive ionic clusters are formed. The thermally activated materials do not promote base catalysis for the isomerization of 1-butene, the ethylation of toluene and o-xylene, and the alkenylation of o-xylene with 1,3-butadiene to produce 5-ortho-tolyl-pent-2-ene (5-OTP). The lack of catalytic activity in the materials is attributed to failure of the materials to form neutral metallic clusters during thermal treatment, possibly due to preferential formation of NMR silent ionic clusters. The formation of neutral metallic clusters is found to be insensitive to synthesis technique and activation procedure. It is concluded that the impregnation of alkali---metal azides in zeolite X does not provide a reliable precursor for the formation of zeolite supported super-basic materials. The second part of this thesis describes the oxidative dehydrogenation of ethane over partially reduced heteropolyanions. Niobium and pyridine exchanged salts of phosphomolybdic (NbPMo12Pyr) and phosphovanadomolybdic (NbPMo11VPyr) acids are investigated as catalyst precursors to prepare materials for catalyzing the oxidative dehydrogenation of ethane to ethylene and acetic acid at atmospheric pressure. The effects of feed composition, steam flow, temperature, and precursor composition on catalytic activity and selectivity are presented for both ethane and ethylene oxidation. Production of ethylene and acetic acid from ethane using the catalytic materials exceeds that reported in the literature for Mo-V-Nb-Ox systems under atmospheric or elevated pressure. Production of acetic acid from ethylene is also greater than that observed for Mo-V-Nb-Ox systems. Addition of vanadium reduces catalytic activity and selectivity to both ethylene and acetic acid while niobium is essential for the formation of acetic acid from ethane. Other metals such as antimony, iron, and gallium do not provide the same beneficial effect as niobium. Molybdenum in close proximity to niobium is the active site for ethane activation while niobium is directly involved in the transformation of ethylene to acetic acid. A balance of niobium and protonated pyridine is required to produce an active catalyst. Water is found to aid in desorption of acetic acid, thereby limiting deep oxidation to carbon oxides. A reaction scheme is proposed for the production of acetic acid from ethane over the catalytic materials.
Freeze-thawing behaviour of highly concentrated aqueous alkali chloride-glucose systems.
Kajiwara, K; Motegi, A; Murase, N
2001-01-01
The freeze-thawing behaviour of highly concentrated aqueous alkali chloride-glucose systems was investigated by differential scanning calorimetry (DSC). In the aqueous NaCl-glucose solution system, single or double glass transitions followed by the corresponding devitrification exotherms were observed during rewarming. In the aqueous KCl-glucose solution system, on the other hand, a single glass transition followed by an exotherm was observed during rewarming. The presence of double glass transitions observed for a certain composition of the aqueous NaCl-glucose solution was taken as an evidence for the liquid-liquid immiscibility at low temperatures. Two kinds of crystallisation accompanied by exotherms during rewarming were identified by X-ray diffraction as ice and ice/NaCl x 2H(2)O, or ice/KCl eutectic component.
Eguchi, Yoko; Utsumi, Ryutaro
2014-09-01
Two-component signal transduction systems (TCSs) in bacteria perceive environmental stress and transmit the information via phosphorelay to adjust multiple cellular functions for adaptation. The EvgS/EvgA system is a TCS that confers acid resistance to Escherichia coli cells. Activation of the EvgS sensor initiates a cascade of transcription factors, EvgA, YdeO, and GadE, which induce the expression of a large group of acid resistance genes. We searched for signals activating EvgS and found that a high concentration of alkali metals (Na(+), K(+)) in addition to low pH was essential for the activation. EvgS is a histidine kinase, with a large periplasmic sensor region consisting of two tandem PBPb (bacterial periplasmic solute-binding protein) domains at its N terminus. The periplasmic sensor region of EvgS was necessary for EvgS activation, and Leu152, located within the first PBPb domain, was involved in the activation. Furthermore, chimeras of EvgS and PhoQ histidine kinases suggested that alkali metals were perceived at the periplasmic sensor region, whereas the cytoplasmic linker domain, connecting the transmembrane region and the histidine kinase domain, was required for low-pH perception. Copyright © 2014, American Society for Microbiology. All Rights Reserved.
Wang, Jianxing; Li, Kun; Yu, Dawei; Zhang, Junya; Wei, Yuansong; Chen, Meixue; Shan, Baoqing
2016-01-01
The nanofiltration (NF) membrane fouling characteristics and cleaning strategies were investigated and compared for treating membrane bioreactor (MBR) effluent and MBR-granular activated carbon (GAC) effluent of an antibiotic production wastewater by DK membrane. Results showed that the fouling of treating MBR effluent was more severe than that of treating MBR-GAC effluent. After filtering for 216 h, the difference of membrane flux decline was obvious between MBR effluent and MBR-GAC effluent, with 14.9% and 10.3% flux decline, respectively. Further study showed that organic fouling is the main NF membrane fouling in the advanced treatment of antibiotic production wastewater for both of the two different effluents. Soluble microbial by-product like and tyrosine-like substances were the dominant components in the foulants, whereas humic-like substances existing in the effluents had little contribution to the NF membrane fouling. A satisfactory efficiency of NF chemical cleaning could be obtained using combination of acid (HCl, pH 2.0-2.5) and alkali (NaOH + 0.3 wt% NaDS, pH 10.0-10.5). The favorable cleaning strategy is acid-alkali for treating the MBR-GAC effluent, while it is alkali-acid for treating the MBR effluent.
Low work function, stable compound clusters and generation process
Dinh, Long N.; Balooch, Mehdi; Schildbach, Marcus A.; Hamza, Alex V.; McLean, II, William
2000-01-01
Low work function, stable compound clusters are generated by co-evaporation of a solid semiconductor (i.e., Si) and alkali metal (i.e., Cs) elements in an oxygen environment. The compound clusters are easily patterned during deposition on substrate surfaces using a conventional photo-resist technique. The cluster size distribution is narrow, with a peak range of angstroms to nanometers depending on the oxygen pressure and the Si source temperature. Tests have shown that compound clusters when deposited on a carbon substrate contain the desired low work function property and are stable up to 600.degree. C. Using the patterned cluster containing plate as a cathode baseplate and a faceplate covered with phosphor as an anode, one can apply a positive bias to the faceplate to easily extract electrons and obtain illumination.
Electronic structure of clathrates Bax@AlySi46-y ; thermoelectric devices
NASA Astrophysics Data System (ADS)
Eguchi, Haruki; Nagano, Takatoshi; Takenaka, Hiroyuki; Tsumuraya, Kazuo
2002-03-01
Clathrates have received much attention as a candidate of high performance thermoelectric devices. This is because they have a) low thermal conductivity due to rattle effect of the alkali or heavy alkali-earth metals such as Ba atoms in the cages of clusters of the clathrates, and b) adjustablity of the Fermi levels through replacement of frame Si atoms with acceptor Al atoms and addition of the cage atoms as donors. We present the dispersion curves with LDA and GGA approximations for the exchange correlation of electrons using the planewave based pseudopotential methods and predict the electronic properties of the clathrates.
Long range intermolecular interactions between the alkali diatomics Na2, K2, and NaK
NASA Astrophysics Data System (ADS)
Zemke, Warren T.; Byrd, Jason N.; Michels, H. Harvey; Montgomery, John A.; Stwalley, William C.
2010-06-01
Long range interactions between the ground state alkali diatomics Na2-Na2, K2-K2, Na2-K2, and NaK-NaK are examined. Interaction energies are first determined from ab initio calculations at the coupled-cluster with singles, doubles, and perturbative triples [CCSD(T)] level of theory, including counterpoise corrections. Long range energies calculated from diatomic molecular properties (polarizabilities and dipole and quadrupole moments) are then compared with the ab initio energies. A simple asymptotic model potential ELR=Eelec+Edisp+Eind is shown to accurately represent the intermolecular interactions for these systems at long range.
Long range intermolecular interactions between the alkali diatomics Na(2), K(2), and NaK.
Zemke, Warren T; Byrd, Jason N; Michels, H Harvey; Montgomery, John A; Stwalley, William C
2010-06-28
Long range interactions between the ground state alkali diatomics Na(2)-Na(2), K(2)-K(2), Na(2)-K(2), and NaK-NaK are examined. Interaction energies are first determined from ab initio calculations at the coupled-cluster with singles, doubles, and perturbative triples [CCSD(T)] level of theory, including counterpoise corrections. Long range energies calculated from diatomic molecular properties (polarizabilities and dipole and quadrupole moments) are then compared with the ab initio energies. A simple asymptotic model potential E(LR)=E(elec)+E(disp)+E(ind) is shown to accurately represent the intermolecular interactions for these systems at long range.
Alkali resistant optical coatings for alkali lasers and methods of production thereof
Soules, Thomas F; Beach, Raymond J; Mitchell, Scott C
2014-11-18
In one embodiment, a multilayer dielectric coating for use in an alkali laser includes two or more alternating layers of high and low refractive index materials, wherein an innermost layer includes a thicker, >500 nm, and dense, >97% of theoretical, layer of at least one of: alumina, zirconia, and hafnia for protecting subsequent layers of the two or more alternating layers of high and low index dielectric materials from alkali attack. In another embodiment, a method for forming an alkali resistant coating includes forming a first oxide material above a substrate and forming a second oxide material above the first oxide material to form a multilayer dielectric coating, wherein the second oxide material is on a side of the multilayer dielectric coating for contacting an alkali.
Zhang, Chen; Sanders, Johan P M; Xiao, Ting T; Bruins, Marieke E
2015-01-01
Leaf protein can be obtained cost-efficiently by alkaline extraction, but overuse of chemicals and low quality of (denatured) protein limits its application. The research objective was to investigate how alkali aids protein extraction of green tea leaf residue, and use these results for further improvements in alkaline protein biorefinery. Protein extraction yield was studied for correlation to morphology of leaf tissue structure, protein solubility and hydrolysis degree, and yields of non-protein components obtained at various conditions. Alkaline protein extraction was not facilitated by increased solubility or hydrolysis of protein, but positively correlated to leaf tissue disruption. HG pectin, RGII pectin, and organic acids were extracted before protein extraction, which was followed by the extraction of cellulose and hemi-cellulose. RGI pectin and lignin were both linear to protein yield. The yields of these two components were 80% and 25% respectively when 95% protein was extracted, which indicated that RGI pectin is more likely to be the key limitation to leaf protein extraction. An integrated biorefinery was designed based on these results.
Assessment of cluster yield components by image analysis.
Diago, Maria P; Tardaguila, Javier; Aleixos, Nuria; Millan, Borja; Prats-Montalban, Jose M; Cubero, Sergio; Blasco, Jose
2015-04-01
Berry weight, berry number and cluster weight are key parameters for yield estimation for wine and tablegrape industry. Current yield prediction methods are destructive, labour-demanding and time-consuming. In this work, a new methodology, based on image analysis was developed to determine cluster yield components in a fast and inexpensive way. Clusters of seven different red varieties of grapevine (Vitis vinifera L.) were photographed under laboratory conditions and their cluster yield components manually determined after image acquisition. Two algorithms based on the Canny and the logarithmic image processing approaches were tested to find the contours of the berries in the images prior to berry detection performed by means of the Hough Transform. Results were obtained in two ways: by analysing either a single image of the cluster or using four images per cluster from different orientations. The best results (R(2) between 69% and 95% in berry detection and between 65% and 97% in cluster weight estimation) were achieved using four images and the Canny algorithm. The model's capability based on image analysis to predict berry weight was 84%. The new and low-cost methodology presented here enabled the assessment of cluster yield components, saving time and providing inexpensive information in comparison with current manual methods. © 2014 Society of Chemical Industry.
Alkali-treated kraft lignin as a component in flakeboard eesins
Mon-Lin Kuo; Chung-Yun Hse; Dee-Hua Huang
1991-01-01
Southern pine kraft lignin was reacted with NaOH (15 and 20% based on dry lignin) at 170, 200, and 250°C for 30 and 60 min. Sweetgum flake boards bonded with phenolic resins containing 50% hydroxymethylated lignin prepared from some of the alkali treated lignins were compared with boards bonded with a neat PF resin. Results indicate that boards bonded with lignin-...
Investigation and Rehabilitation to Extend Service Life of DSS-13 Antenna Concrete Foundation
NASA Technical Reports Server (NTRS)
Riewe, A. A., Jr.
1984-01-01
An investigation to establish the cause and, devise a repair technique to maintain the serviceability of the DSS-13 26 meter antenna is described. Core samples are obtained from the concrete and various laboratory tests conducted. In-place nondestructive type tests are also performed. The tests established that the concrete is deteriorating because of alkali aggregate reactivity. This is a phenomenon wherein certain siliceous constituents present in some aggregates react with alkalies in the portland cement to produce a silica gel which, in turn, imbibes water, swells, and cracks the concrete. The scheme consists of a supplemental steel frame friction pile anchored grade beam encircling the existing foundation. This system provides adequate bracing against base shear and overturning due to seismic loading. Larger cracks are sealed using a pressure injected two-component epoxy.
Electroactive materials for rechargeable batteries
Wu, Huiming; Amine, Khalil; Abouimrane, Ali
2015-04-21
An as-prepared cathode for a secondary battery, the cathode including an alkaline source material including an alkali metal oxide, an alkali metal sulfide, an alkali metal salt, or a combination of any two or more thereof.
A STUDY OF THE COMPONENTS OF THE CORNIFIED EPITHELIUM OF HUMAN SKIN
Matoltsy, A. Gedeon; Balsamo, Constance A.
1955-01-01
Pulverized cornified epithelium of human skin was divided into a "soluble fraction" and a "residue." About half of the "soluble fraction" proved to be soluble epidermal keratin (keratin A); the remainder, dialyzable substances of low molecular weight. The "residue" contained epidermal keratin and resistant cell membranes of cornified cells. Epidermal keratin was found to form an oriented and dense submicroscopic structure in the cornified cells. It showed high resistance toward strong acid and moderately strong alkali solutions as well as concentrated urea. In strong alkali, reducing substances, alkaline urea, and mixtures of reducing substance with alkali, epidermal keratin dissociated and yielded a non-dialyzable derivative of high molecular weight (keratin B) which resembled true proteins. The cell membranes of cornified cells showed higher resistance toward strong alkali and reducing substance than did epidermal keratin. PMID:13242598
Practical method for transversely measuring the spin polarization of optically pumped alkali atoms
NASA Astrophysics Data System (ADS)
Ding, Zhichao; Yuan, Jie; Long, Xingwu
2018-06-01
A practical method to measure the spin polarization of optically pumped alkali atoms is demonstrated. In order to realize transverse measurement, the transverse spin component of spin-polarized alkali atoms is created by a rotating exciting magnetic field, and detected using the optical rotation of a near-resonant probe beam for realizing a high detection sensitivity. The dependency of the optical rotation on the spin polarization of 133Cs atoms is derived theoretically and verified experimentally. By changing the direction of the rotating magnetic field, we realize the transverse measurement of the spin polarization of 133Cs atoms in either ground-state hyperfine level.
Smith, Jr., Lawrence A.
1985-01-01
Ethers such as isobutyl tertiary butyl ether are dissociated into their component alcohols and isolefins by heat stabilized catalyst compositions prepared from nuclear sulfonic acid, for example, macroporous crosslinked polyvinyl aromatic compounds containing sulfonic acid groups are neutralized with a metal of Al, Fe, Zn, Cu, Ni, ions or mixtures and alkali, alkaline earth metals or ammonium ions by contacting the resin containing the sulfonic acid with aqueous solutions of the metals salts and alkali, alkaline earth metal or ammonium salts. The catalysts have at least 50% of the sulfonic acid groups neutralized with metal ions and the balance of the sulfonic acid groups neutralized with alkali, alkaline earth ions or ammonium ions.
Smith, L.A. Jr.
1985-11-05
Ethers such as isobutyl tertiary butyl ether are dissociated into their component alcohols and isoolefins by heat stabilized catalyst compositions prepared from nuclear sulfonic acid, for example, macroporous crosslinked polyvinyl aromatic compounds containing sulfonic acid groups are neutralized with a metal of Al, Fe, Zn, Cu, Ni, ions or mixtures and alkali, alkaline earth metals or ammonium ions by contacting the resin containing the sulfonic acid with aqueous solutions of the metals salts and alkali, alkaline earth metal or ammonium salts. The catalysts have at least 50% of the sulfonic acid groups neutralized with metal ions and the balance of the sulfonic acid groups neutralized with alkali, alkaline earth ions or ammonium ions.
Physico-chemical trends in the sediments of Agbede Wetlands, Nigeria
NASA Astrophysics Data System (ADS)
Dirisu, Abdul-Rahman; Olomukoro, John Ovie; Ezenwa, Ifeanyi Maxwell
2017-07-01
This study assessed the physico-chemical status of sediments in the Agbede Wetlands with the aim to create a reference archive for the Edo North catchment and to further identify the characteristics mostly influenced by the natural and anthropogenic activities going on at the watershed. Nutrients, zinc, nickel and lead were identified to be mostly of anthropogenic origin, while alkali metals and alkaline earth metals were from both anthropogenic and natural sources. The clustering of stations 1 and 4 indicates that the sediment quality in the lentic systems was not completely excluded from the lotic system, suggesting that principal component analysis (PCA) and cluster analysis (CA) techniques are invaluable tools for identifying factors influencing the sediment quality. The mean values of the particle size distribution were in the following order across the ecosystems: sand (61.86-80.53%) > silt (9.75-30.34%) > clay (7.83-13.89%). The contamination of the water bodies was primarily derived from agricultural run-offs and through geochemical weathering of the top soils. Therefore, our analysis indicates that the concentrations of cations, anions and nutrients in the sediments of the lotic and lentic ecosystems in Agbede Wetlands are not at an alarming level.
NASA Technical Reports Server (NTRS)
Ross, D. K.; Simon, J. I.; Simon, S. B.; Grossman, L.
2012-01-01
Ca-Fe and alkali-halide alteration of CAIs is often attributed to aqueous alteration by fluids circulating on asteroidal parent bodies after the various chondritic components have been assembled, although debate continues about the roles of asteroidal vs. nebular modification processes [1-7]. Here we report de-tailed observations of alteration products in a large Type B2 CAI, TS4 from Allende, one of the oxidized subgroup of CV3s, and propose a speculative model for aqueous alteration of CAIs in a nebular setting. Ca-Fe alteration in this CAI consists predominantly of end-member hedenbergite, end-member andradite, and compositionally variable, magnesian high-Ca pyroxene. These phases are strongly concentrated in an unusual "nodule" enclosed within the interior of the CAI (Fig. 1). The Ca, Fe-rich nodule superficially resembles a clast that pre-dated and was engulfed by the CAI, but closer inspection shows that relic spinel grains are enclosed in the nodule, and corroded CAI primary phases interfinger with the Fe-rich phases at the nodule s margins. This CAI also contains abundant sodalite and nepheline (alkali-halide) alteration that occurs around the rims of the CAI, but also penetrates more deeply into the CAI. The two types of alteration (Ca-Fe and alkali-halide) are adjacent, and very fine-grained Fe-rich phases are associated with sodalite-rich regions. Both types of alteration appear to be replacive; if that is true, it would require substantial introduction of Fe, and transport of elements (Ti, Al and Mg) out of the nodule, and introduction of Na and Cl into alkali-halide rich zones. Parts of the CAI have been extensively metasomatized.
NASA Astrophysics Data System (ADS)
Kawamoto, T.; Mibe, K.
2014-12-01
Chemical fractionation of slab-derived supercritical fluids can play an important role in elemental transfer from subducting slab to the mantle wedge and arc magmatism [1]. Recent findings of saline fluids from sub-arc mantle peridotite indicate that aqueous fluids in mantle wedge can contain 3.7 wt% NaCl in Ichinomageta, Northeast Japan arc [2] to 5.1 wt% NaCl in Pinatubo, Luzon arc [3]. It is, therefore, important to determine the effect of Cl on the trace element partitioning between aqueous fluids and melts. Synchrotron radiation X-ray fluorescence (XRF) analysis is conducted to know Rb, Sr, and Pb partitioning between aqueous fluids and melts [4]. There is a positive correlation between partition coefficients and pressure, as well as salinity. Two slab-derived components, melt and fluid components, are suggested to explain trace element characteristics of arc-basalts in the Mariana arc [5]. The fluid component is characterized by enrichment of alkali and alkali earth elements. Such features can be explained if the fluid component is a saline fluid, because alkali earth elements and Pb are much less mobile with Cl-free fluids than Cl-rich fluids [4]. We suggest that slab-derived components have compositional features consistent with a saline fluid and a melt, which can be formed through a separation of a slab-derived supercritical fluid [1]. Slab derived supercritical fluids contain Cl, and aqueous fluids inherit much of the Cl and some of the large-ion lithophile elements. [1] Kawamoto et al. 2012, Separation of supercritical slab-fluids to form aqueous fluid and melt components in subduction zone magmatism. PNAS, pnas.org/content/109/46/18695 [2] Kumagai et al. Evolution of carbon dioxide bearing saline fluids in the mantle wedge beneath the Northeast Japan arc, CMP [3] Kawamoto et al. 2013, Mantle wedge infiltrated with saline fluids from dehydration and decarbonation of subducting slab. PNAS, pnas.org/content/110/24/9663 [4] Kawamoto et al. 2014, Large ion lithophile elements delivered by saline fluids to the sub-arc mantle, EPS, earth-planets-space.com/content/66/1/61 [5] Pearce et al. 2005, Geochemical mapping of the Mariana arc-basin system: Implications for the nature and distribution of subduction components. G-cubed, onlinelibrary.wiley.com/doi/10.1029/2004GC000895/full
Analysis of the physical atomic forces between noble gas atoms, alkali ions and halogen ions
NASA Technical Reports Server (NTRS)
Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.
1986-01-01
The physical forces between atoms and molecules are important in a number of processes of practical importance, including line broadening in radiative processes, gas and crystal properties, adhesion, and thin films. The components of the physical forces between noble gas atoms, alkali ions, and halogen ions are analyzed and a data base for the dispersion forces is developed from the literature based on evaluations with the harmonic oscillator dispersion model for higher order coefficients. The Zener model of the repulsive core is used in the context of the recent asymptotic wave functions of Handler and Smith; and an effective ionization potential within the Handler and Smith wave functions is defined to analyze the two body potential data of Waldman and Gordon, the alkali-halide molecular data, and the noble gas crystal and salt crystal data. A satisfactory global fit to this molecular and crystal data is then reproduced by the model to within several percent. Surface potentials are evaluated for noble gas atoms on noble gas and salt crystal surfaces with surface tension neglected. Within this context, the noble gas surface potentials on noble gas and salt crystals are considered to be accurate to within several percent.
Matsen IV, Frederick A.; Evans, Steven N.
2013-01-01
Principal components analysis (PCA) and hierarchical clustering are two of the most heavily used techniques for analyzing the differences between nucleic acid sequence samples taken from a given environment. They have led to many insights regarding the structure of microbial communities. We have developed two new complementary methods that leverage how this microbial community data sits on a phylogenetic tree. Edge principal components analysis enables the detection of important differences between samples that contain closely related taxa. Each principal component axis is a collection of signed weights on the edges of the phylogenetic tree, and these weights are easily visualized by a suitable thickening and coloring of the edges. Squash clustering outputs a (rooted) clustering tree in which each internal node corresponds to an appropriate “average” of the original samples at the leaves below the node. Moreover, the length of an edge is a suitably defined distance between the averaged samples associated with the two incident nodes, rather than the less interpretable average of distances produced by UPGMA, the most widely used hierarchical clustering method in this context. We present these methods and illustrate their use with data from the human microbiome. PMID:23505415
Chitin: a cell-surface component of Phytomonas françai.
Nakamura, C V; Esteves, M J; Andrade, A F; Alviano, C S; de Souza, W; Angluster, J
1993-01-01
The occurrence of chitin as a structural component of the surface of the phytopathogenic protozoan Phytomonas françai was demonstrated by paper and gas-liquid chromatographic analysis of the products of enzymatic and chemical hydrolysis of alkali-resistant polysaccharides, lectin binding, glycosidase digestion, and infrared spectra. Chitin was characterized by its insolubility in hot alkali and chromatographic immobility as well as by the release of glucosamine on hydrolysis with strong acid and of N-acetylglucosamine (GlcNAc) on hydrolysis with chitinase. The presence of chitin was also shown directly by binding of wheat-germ agglutinin (WGA), which recognizes GlcNAc units, to the parasite surface. Fluorescein-labeled WGA binding was completely abolished by treatment with chitinase. This effect was specific since it could be prevented by incubating the enzyme with chitin before treatment of the phytomonads. These findings indicate that chitin is an exposed cell-surface polysaccharide in Phytomonas françai. The data were confirmed by the infrared spectrum of an alkali-insoluble residue, which showed a pattern typical of chitin.
Combining Mixture Components for Clustering*
Baudry, Jean-Patrick; Raftery, Adrian E.; Celeux, Gilles; Lo, Kenneth; Gottardo, Raphaël
2010-01-01
Model-based clustering consists of fitting a mixture model to data and identifying each cluster with one of its components. Multivariate normal distributions are typically used. The number of clusters is usually determined from the data, often using BIC. In practice, however, individual clusters can be poorly fitted by Gaussian distributions, and in that case model-based clustering tends to represent one non-Gaussian cluster by a mixture of two or more Gaussian distributions. If the number of mixture components is interpreted as the number of clusters, this can lead to overestimation of the number of clusters. This is because BIC selects the number of mixture components needed to provide a good approximation to the density, rather than the number of clusters as such. We propose first selecting the total number of Gaussian mixture components, K, using BIC and then combining them hierarchically according to an entropy criterion. This yields a unique soft clustering for each number of clusters less than or equal to K. These clusterings can be compared on substantive grounds, and we also describe an automatic way of selecting the number of clusters via a piecewise linear regression fit to the rescaled entropy plot. We illustrate the method with simulated data and a flow cytometry dataset. Supplemental Materials are available on the journal Web site and described at the end of the paper. PMID:20953302
Alkali Metal Heat Pipe Life Issues
NASA Technical Reports Server (NTRS)
Reid, Robert S.
2004-01-01
One approach to space fission power system design is predicated on the use of alkali metal heat pipes, either as radiator elements, thermal management components, or as part of the core primary heat-transfer system. This synopsis characterizes long-life core heat pipes. References are included where more detailed information can be found. Specifics shown here are for demonstrational purposes and do not necessarily reflect current Project Prometheus point designs.
Observation of Raman self-focusing in an alkali-metal vapor cell
NASA Astrophysics Data System (ADS)
Proite, N. A.; Unks, B. E.; Green, J. T.; Yavuz, D. D.
2008-02-01
We report an experimental demonstration of Raman self-focusing and self-defocusing in a far-off resonant alkali-metal atomic system. The key idea is to drive a hyperfine transition in an alkali-metal atom to a maximally coherent state with two laser beams. In this regime, the two-photon detuning from the Raman resonance controls the nonlinear index of the medium.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Vlcek, Lukas; Chialvo, Ariel; Simonson, J Michael
2013-01-01
Molecular models and experimental estimates based on the cluster pair approximation (CPA) provide inconsistent predictions of absolute single-ion hydration properties. To understand the origin of this discrepancy we used molecular simulations to study the transition between hydration of alkali metal and halide ions in small aqueous clusters and bulk water. The results demonstrate that the assumptions underlying the CPA are not generally valid as a result of a significant shift in the ion hydration free energies (~15 kJ/mol) and enthalpies (~47 kJ/mol) in the intermediate range of cluster sizes. When this effect is accounted for, the systematic differences between modelsmore » and experimental predictions disappear, and the value of absolute proton hydration enthalpy based on the CPA gets in closer agreement with other estimates.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fedorov, Dmitry A.; Varganov, Sergey A., E-mail: svarganov@unr.edu; Derevianko, Andrei
2014-05-14
We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X{sup 1}Σ{sup +} electronic state using the coupled cluster with singles doubles and triples method. All-electron quadruple-ζ basis sets with additional core functions are used for Li and Na, and small-core relativistic effective core potentials with quadruple-ζ quality basis sets are used for K, Rb, and Cs. The inclusion of the coupled cluster non-perturbative triple excitations is shown to be crucial for obtainingmore » the accurate potential energy curves. A large one-electron basis set with additional core functions is needed for the accurate prediction of permanent dipole moments. The dissociation energies are overestimated by only 14 cm{sup −1} for LiNa and by no more than 114 cm{sup −1} for the other molecules. The discrepancies between the experimental and calculated harmonic vibrational frequencies are less than 1.7 cm{sup −1}, and the discrepancies for the anharmonic correction are less than 0.1 cm{sup −1}. We show that correlation between atomic electronegativity differences and permanent dipole moment of heteronuclear alkali dimers is not perfect. To obtain the vibrational energies and wave functions the vibrational Schrödinger equation is solved with the B-spline basis set method. The transition dipole moments between all vibrational states, the Einstein coefficients, and the lifetimes of the vibrational states are calculated. We analyze the decay rates of the vibrational states in terms of spontaneous emission, and stimulated emission and absorption induced by black body radiation. In all studied heteronuclear alkali dimers the ground vibrational states have much longer lifetimes than any excited states.« less
Self-Protection Mechanism of Hexagonal WO3-Based DeNOx Catalysts against Alkali Poisoning.
Zheng, Li; Zhou, Meijuan; Huang, Zhiwei; Chen, Yaxin; Gao, Jiayi; Ma, Zhen; Chen, Jianmin; Tang, Xingfu
2016-11-01
A good catalyst for efficiently controlling NO x emissions often demands strong resistance against alkali poisoning. Although the traditional ion-exchange model, based on acid-base reactions of alkalis with Brønsted acid sites, has been established over the past two decades, it is difficult to be used as a guideline to develop such an alkali-resistant catalyst. Here we establish a self-protection mechanism of deNO x catalysts against alkali poisoning by systematically studying the intrinsic nature of alkali resistance of V 2 O 5 /HWO (HWO = hexagonal WO 3 ) that shows excellent resistance to alkali poisoning in selective catalytic reduction of NO x with NH 3 (SCR). Synchrotron X-ray diffraction and absorption spectroscopies demonstrate that V 2 O 5 /HWO has spatially separated catalytically active sites (CASs) and alkali-trapping sites (ATSs). During the SCR process, ATSs spontaneously trap alkali ions such as K + , even if alkali ions initially block CASs, thus releasing CASs to realize the self-protection against alkali poisoning. X-ray photoelectron spectra coupled with theoretical calculations indicate that the electronic interaction between the alkali ions and ATSs with an energy saving is the driving force of the self-protection. This work provides a strategy to design alkali-resistant deNO x catalysts.
Alkali-Resistant Quasi-Solid-State Electrolyte for Stretchable Supercapacitors.
Tang, Qianqiu; Wang, Wenqiang; Wang, Gengchao
2016-10-05
Research on stretchable energy-storage devices has been motivated by elastic electronics, and considerable research efforts have been devoted to the development of stretchable electrodes. However, stretchable electrolytes, another critical component in stretchable devices, have earned quite little attention, especially the alkali-resistant ones. Here, we reported a novel stretchable alkali-resistant electrolyte made of a polyolefin elastomer porous membrane supported potassium hydroxide-potassium polyacrylate (POE@KOH-PAAK). The as-prepared electrolyte shows a negligible plastic deformation even after 1000 stretching cycles at a strain of 150% as well as a high conductivity of 0.14 S cm -1 . It also exhibits excellent alkali resistance, which shows no obvious degradation of the mechanical performance after immersion in 2 M KOH for up to 2 weeks. To demonstrate its good properties, a high-performance stretchable supercapacitor is assembled using a carbon-nanotube-film-supported NiCo 2 O 4 (CNT@NiCo 2 O 4 ) as the cathode and Fe 2 O 3 (CNT@Fe 2 O 3 ) as the anode, proving great application promise of the stretchable alkali-resistant electrolyte in stretchable energy-storage devices.
High temperature alkali corrosion of ceramics in coal gas: Final report
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pickrell, G.R.; Sun, T.; Brown, J.J. Jr.
1994-12-31
There are several ceramic materials which are currently being considered for use as structural elements in coal combustion and coal conversion systems because of their thermal and mechanical properties. These include alumina (refractories, membranes, heat engines); silicon carbide and silicon nitride (turbine engines, internal combustion engines, heat exchangers, particulate filters); zirconia (internal combustion engines, turbine engines, refractories); and mullite and cordierite (particulate filters, refractories, heat exchangers). High temperature alkali corrosion has been known to cause premature failure of ceramic components used in advanced high temperature coal combustion systems such as coal gasification and clean-up, coal fired gas turbines, and highmore » efficiency heat engines. The objective of this research is to systematically evaluate the alkali corrosion resistance of the most commonly used structural ceramics including silicon carbide, silicon nitride, cordierite, mullite, alumina, aluminum titanate, and zirconia. The study consists of identification of the alkali reaction products and determination of the kinetics of the alkali reactions as a function of temperature and time. 145 refs., 29 figs., 12 tabs.« less
Use of fly ash, slag, or silica fume to inhibit alkali-silica reactivity.
DOT National Transportation Integrated Search
1995-01-01
This study had two objectives: (1) to evaluate the effectiveness of particular mineral admixtures when combined with portland cements of varying alkali content in preventing expansion due to alkali-silica reactivity (ASR), and (2) to determine if set...
Sato, Hiroki; Toyoshima, Yoshiyuki; Shintani, Takahiro; Gomi, Katsuya
2011-12-01
We observed that α-amylase (Taka-amylase A; TAA) activity in the culture broth disappeared in the later stage of submerged cultivation of Aspergillus oryzae. This disappearance was caused by adsorption of TAA onto the cell wall of A. oryzae and not due to protein degradation by extracellular proteolytic enzymes. To determine the cell wall component(s) that allows TAA adsorption efficiently, the cell wall was fractionated by stepwise alkali treatment and enzymatic digestion. Consequently, alkali-insoluble cell wall fractions exhibited high levels of TAA adsorption. In addition, this adsorption capacity was significantly enhanced by treatment of the alkali-insoluble fraction with β-glucanase, which resulted in the concomitant increase in the amount of chitin in the resulting fraction. In contrast, the adsorption capacity was diminished by treating the cell wall fraction with chitinase. These results suggest that the major component that allows TAA adsorption is chitin. However, both the mycelium and the cell wall demonstrated the inability to allow TAA adsorption in the early stage of cultivation, despite chitin content in the cell wall being identical in both early and late stages of cultivation. These results suggest the existence of unidentified factor(s) that could prevent the adsorption of TAA onto the cell wall. Such factor(s) is most likely removed or diminished from the cell wall following longer cultivation periods.
FACTORS INFLUENCING THE ABILITY OF ISOLATED CELL NUCLEI TO FORM GELS IN DILUTE ALKALI
Dounce, Alexander L.; Monty, Kenneth J.
1955-01-01
1. Known methods for isolating cell nuclei are divided into two classes, depending on whether or not the nuclei are capable of forming gels in dilute alkali or strong saline solutions. Methods which produce nuclei that can form gels apparently prevent the action of an intramitochondrial enzyme capable of destroying the gel-forming capacity of the nuclei. Methods in the other class are believed to permit this enzyme to act on the nuclei during the isolation procedure, causing detachment of DNA from some nuclear constituent (probably protein). 2. It is shown that heating in alkaline solution and x-irradiation can destroy nuclear gels. Heating in acid or neutral solutions can destroy the capacity of isolated nuclei to form gels. 3. Chemical and biological evidence is summarized in favor of the hypothesis that DNA is normally bound firmly to some nuclear component by non-ionic linkages. PMID:14381437
Photoelectron spectroscopy of color centers in negatively charged cesium iodide nanocrystals
NASA Astrophysics Data System (ADS)
Sarkas, Harry W.; Kidder, Linda H.; Bowen, Kit H.
1995-01-01
We present the photoelectron spectra of negatively charged cesium iodide nanocrystals recorded using 2.540 eV photons. The species examined were produced using an inert gas condensation cluster ion source, and they ranged in size from (CsI)-n=13 to nanocrystal anions comprised of 330 atoms. Nanocrystals showing two distinct types of photoemission behavior were observed. For (CsI)-n=13 and (CsI)-n=36-165, a plot of cluster anion photodetachment threshold energies vs n-1/3 gives a straight line extrapolating (at n-1/3=0, i.e., n=∞) to 2.2 eV, the photoelectric threshold energy for F centers in bulk cesium iodide. The linear extrapolation of the cluster anion data to the corresponding bulk property implies that the electron localization in these gas-phase nanocrystals is qualitatively similar to that of F centers in extended alkali halide crystals. These negatively charged cesium iodide nanocrystals are thus shown to support embryonic forms of F centers, which mature with increasing cluster size toward condensed phase impurity centers. Under an alternative set of source conditions, nanocrystals were produced which showed significantly lower photodetachment thresholds than the aforementioned F-center cluster anions. For these species, containing 83-131 atoms, a plot of their cluster anion photodetachment threshold energies versus n-1/3 gives a straight line which extrapolates to 1.4 eV. This value is in accord with the expected photoelectric threshold energy for F' centers in bulk cesium iodide, i.e., color centers with two excess electrons in a single defect site. These nanocrystals are interpreted to be the embryonic F'-center containing species, Cs(CsI)-n=41-65.
Hydrothermal alteration and mass exchange in the hornblende latite porphyry, Rico, Colorado
Larson, P.B.; Cunningham, C.G.; Naeser, C.W.
1994-01-01
The Rico paleothermal anomaly, southwestern Colorado, records the effects of a large hydrothermal system that was active at 4 Ma. This hydrothermal system produced the deep Silver Creek stockwork Mo deposit, which formed above the anomaly's heat source, and shallower base and precious-metal vein and replacement deposits. A 65 Ma hornblende latite porphyry is present as widespread sills throughout the area and provided a homogenous material that recorded the effects of the hydrothermal system up to 8 km from the center. Hydrothermal alteration in the latite can be divided into a proximal facies which consists of two assemblages, quartz-illite-calcite and chlorite-epidote, and a distal facies which consists of a distinct propylitic assemblage. Temperatures were gradational vertically and laterally in the anomaly, and decreased away from the centra heat source. A convective hydrothermal plume, 3 km wide and at least 2 km high, was present above the stock-work molybdenum deposit and consisted of upwelling, high-temperature fluids that produced the proximal alteration facies. Distal facies alteration was produced by shallower cooler fluids. The most important shallow base and precious-metal vein deposits in the Rico district are at or close to the boundary of the thermal plume. Latite within the plume had a large loss of Na2O, large addition of CaO, and variable SiO2 exchante. Distal propylitized latite samples lost small amounts of Na2O and CaO and exchanged minor variable amounts of SiO2. The edge of the plume is marked by steep Na2O exchange gradients. Na2O exchange throughout the paleothermal anomaly was controlled by the reaction of the albite components in primary plagioclase and alkali feldspars. Initial feldspar alteration in the distal facies was dominated by reaction of the plagioclase, and the initial molar ratio of reactants (alkali feldspar albite component to plagioclase albite component) was 0.35. This ratio of the moles of plagioclase to alkali feldspar albite components that reacted evolved to 0.92 as the reaction progressed. Much of the alkali feldspar albite component in the proximal facies reacted while the, primary plagioclase was still unreacted, but the ratio for these assemblages increased to 1.51 when the plagioclase entered the reaction paragenesis. Plagioclase reaction during distal propylitic alteration resulted in pseudomorphic albite mixed with illite and a loss of Na2O. CaO is lost in the distal facies as hornblende reacts to chlorite, although some calcium may be fixed in calcite. CaO is added to the proximal facies as the quantity of chlorite replacing hornblende increases and epidote and calcite are produced. ?? 1994 Springer-Verlag.
A study of the possible characteristics of a low-altitude electron layer in the Martian atmosphere
NASA Technical Reports Server (NTRS)
Wallio, H. A.
1974-01-01
The apparent diurnal Martian surface pressure variations, as deduced from radio occultation experiments, is discussed and explained as possibly arising from the effect of a low-altitude electron layer. Possible source and loss mechanisms for the low altitude electron layer are presented and discussed. Time dependent differential equations describing the electron layer are derived, and then integrated to investigate the electron distribution resulting from several processes that might occur in the atmosphere. It is concluded that the source mechanism is the sublimation of alkali atoms from a permanent dust layer, and that the dominant loss process must involve CO2 clustering about the alkali atoms. An electron layer is developed which explains the apparent diurnal surface pressure variation.
NASA Astrophysics Data System (ADS)
Hill, J. Grant; Peterson, Kirk A.
2017-12-01
New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.
Process for producing dimethyl ether from synthesis gas
Pierantozzi, R.
1985-06-04
This invention pertains to a Fischer Tropsch process for converting synthesis gas to an oxygenated hydrocarbon with particular emphasis on dimethyl ether. Synthesis gas comprising carbon monoxide and hydrogen are converted to dimethyl ether by carrying out the reaction in the presence of an alkali metal-manganese-iron carbonyl cluster incorporated onto a zirconia-alumina support.
Process for producing dimethyl ether form synthesis gas
Pierantozzi, Ronald
1985-01-01
This invention pertains to a Fischer Tropsch process for converting synthesis gas to an oxygenated hydrocarbon with particular emphasis on dimethyl ether. Synthesis gas comprising carbon monoxide and hydrogen are converted to dimethyl ether by carrying out the reaction in the presence of an alkali metal-manganese-iron carbonyl cluster incorporated onto a zirconia-alumina support.
Yoshimi, Akira; Sano, Motoaki; Inaba, Azusa; Kokubun, Yuko; Fujioka, Tomonori; Mizutani, Osamu; Hagiwara, Daisuke; Fujikawa, Takashi; Nishimura, Marie; Yano, Shigekazu; Kasahara, Shin; Shimizu, Kiminori; Yamaguchi, Masashi; Kawakami, Kazuyoshi; Abe, Keietsu
2013-01-01
Although α-1,3-glucan is one of the major cell wall polysaccharides in filamentous fungi, the physiological roles of α-1,3-glucan remain unclear. The model fungus Aspergillus nidulans possesses two α-1,3-glucan synthase (AGS) genes, agsA and agsB. For functional analysis of these genes, we constructed several mutant strains in A. nidulans: agsA disruption, agsB disruption, and double-disruption strains. We also constructed several CagsB strains in which agsB expression was controlled by the inducible alcA promoter, with or without the agsA-disrupting mutation. The agsA disruption strains did not show markedly different phenotypes from those of the wild-type strain. The agsB disruption strains formed dispersed hyphal cells under liquid culture conditions, regardless of the agsA genetic background. Dispersed hyphal cells were also observed in liquid culture of the CagsB strains when agsB expression was repressed, whereas these strains grew normally in plate culture even under the agsB-repressed conditions. Fractionation of the cell wall based on the alkali solubility of its components, quantification of sugars, and 13C-NMR spectroscopic analysis revealed that α-1,3-glucan was the main component of the alkali-soluble fraction in the wild-type and agsA disruption strains, but almost no α-1,3-glucan was found in the alkali-soluble fraction derived from either the agsB disruption strain or the CagsB strain under the agsB-repressed conditions, regardless of the agsA genetic background. Taken together, our data demonstrate that the two AGS genes are dispensable in A. nidulans, but that AgsB is required for normal growth characteristics under liquid culture conditions and is the major AGS in this species. PMID:23365684
NASA Technical Reports Server (NTRS)
Snyder, Gregory A.; Taylor, Lawrence A.; Liu, Yun-Gang; Schmitt, Roman A.
1992-01-01
A group of KREEPy basalts has been discovered in Apollo 14 soils. These samples exhibit similarities to both HA and VHK basalts, albeit with much higher REE abundances, and contain up to 2 vol pct whitlockite and can be explained by assimilation of a K-, REE- and P-rich fluids by an original HA or VHK basalt. This KREEP component could have been produced late in the evolution of the lunar magma ocean and is similar in composition to QMD at Apollo 14. Two rocks have trace element compositions that are representative of actual KREEP. One of the samples appears to be petrographically pristine and could represent an actual KREEP basalt rock. Five subophitic high-Al basalts represent sampling of either a slowly cooled impact melt sheet or, more likely, the same basalt flow. Two 'quasi-pristine' highland rocks confirm the postulate of a connection between KREEP and the alkali suite. A newly discovered alkali anorthosite is a plagioclase cumulate with about 15 percent trapped KREEPy liquid.
Communication: Dimensionality of the ionic conduction pathways in glass and the mixed-alkali effect.
Novy, Melissa; Avila-Paredes, Hugo; Kim, Sangtae; Sen, Sabyasachi
2015-12-28
A revised empirical relationship between the power law exponent of ac conductivity dispersion and the dimensionality of the ionic conduction pathway is established on the basis of electrical impedance spectroscopic (EIS) measurements on crystalline ionic conductors. These results imply that the "universal" ac conductivity dispersion observed in glassy solids is associated with ionic transport along fractal pathways. EIS measurements on single-alkali glasses indicate that the dimensionality of this pathway D is ∼2.5, while in mixed-alkali glasses, D is lower and goes through a minimum value of ∼2.2 when the concentrations of the two alkalis become equal. D and σ display similar variation with alkali composition, thus suggesting a topological origin of the mixed-alkali effect.
THE GALAXY LUMINOSITY FUNCTIONS DOWN TO M{sub R} = -10 IN THE COMA CLUSTER
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yamanoi, Hitomi; Komiyama, Yutaka; Yagi, Masafumi
2012-08-15
We derived the luminosity function (LF) of dwarf galaxies in the Coma Cluster down to M{sub R} = -10 at three fields located at the center, intermediate, and outskirt of the cluster. The LF (-19 < M{sub R} < -10) shows no significant differences among the three fields. It shows a clear dip at M{sub R} {approx} -13 and is composed of two distinct components of different slopes; the bright component with -19 < M{sub R} < -13 has a flatter slope than the faint component with -13 < M{sub R} < -10 which has a steep slope. The brightmore » component (-19 < M{sub R} < -13) consists mostly of red extended galaxies including few blue galaxies whose colors are typical of late-type galaxies. On the other hand, the faint component (-13 < M{sub R} < -10) consists largely of point-spread-function-like compact galaxies. We found that both these compact galaxies and some extended galaxies are present in the center while only compact galaxies are seen in the outskirt. In the faint component, the fraction of blue galaxies is larger in the outskirt than in the center. We suggest that the dwarf galaxies in the Coma Cluster, which make up the two components in the LF, are heterogeneous with some different origins.« less
Attraction between like-charged monovalent ions.
Zangi, Ronen
2012-05-14
Ions with like-charges repel each other with a magnitude given by the Coulomb law. The repulsion is also known to persist in aqueous solutions albeit factored by the medium's dielectric constant. In this paper, we report results from molecular dynamics simulations of alkali halides salt solutions indicating an effective attraction between some of the like-charged monovalent ions. The attraction is observed between anions, as well as between cations, leading to the formation of dimers with lifetimes on the order of few picoseconds. Two mechanisms have been identified to drive this counterintuitive attraction. The first is exhibited by high-charge density ions, such as fluoride, at low salt concentrations, yielding effective attractions with magnitude up to the order of 1-2 kT. In this case, the stronger local electric field generated when the two ions are in contact augments the alignment of neighboring waters toward the ions. This results in a gain of substantial favorable ion-water interaction energy. For fluorides, this interaction constitutes the major change among the different energy components compensating for the anion-anion repulsion, and therefore, rendering like-charge association possible. The second mechanism involves mediation by counterions, the attractions increase with salt concentration and are characterized by small magnitudes. In particular, clusters of ion triplets, in which a counterion is either bridging the two like-charged ions or is paired to only one of them, are formed. Although these two mechanisms may not yield net attractions in many cases, they might still be operational and significant, explaining effective repulsions between like-charged ions with magnitudes much smaller than expected based on continuum electrostatics.
Apollo 16 Evolved Lithology Sodic Ferrogabbro
NASA Technical Reports Server (NTRS)
Zeigler, Ryan; Jolliff, B. L.; Korotev, R. L.
2014-01-01
Evolved lunar igneous lithologies, often referred to as the alkali suite, are a minor but important component of the lunar crust. These evolved samples are incompatible-element rich samples, and are, not surprisingly, most common in the Apollo sites in (or near) the incompatible-element rich region of the Moon known as the Procellarum KREEP Terrane (PKT). The most commonly occurring lithologies are granites (A12, A14, A15, A17), monzogabbro (A14, A15), alkali anorthosites (A12, A14), and KREEP basalts (A15, A17). The Feldspathic Highlands Terrane is not entirely devoid of evolved lithologies, and rare clasts of alkali gabbronorite and sodic ferrogabbro (SFG) have been identified in Apollo 16 station 11 breccias 67915 and 67016. Curiously, nearly all pristine evolved lithologies have been found as small clasts or soil particles, exceptions being KREEP basalts 15382/6 and granitic sample 12013 (which is itself a breccia). Here we reexamine the petrography and geochemistry of two SFG-like particles found in a survey of Apollo 16 2-4 mm particles from the Cayley Plains 62283,7-15 and 62243,10-3 (hereafter 7-15 and 10-3 respectively). We will compare these to previously reported SFG samples, including recent analyses on the type specimen of SFG from lunar breccia 67915.
Hanisch, F G; Uhlenbruck, G; Dienst, C; Stottrop, M; Hippauf, E
1985-06-03
The cancer-associated antigens Ca 125 and Ca 19-9 were demonstrated by radioimmunoassay to form structural units of a mucus glycoprotein in human milk taken from healthy women four days after parturition. The glycoprotein precipitated with the casein fraction at pH 4.6 and was completely absent in the whey as judged from Ca 19-9 assay. It could be effectively enriched by phenol-saline extraction from soluble milk proteins and further purified by gel filtration on Sephacryl S300 and Sephacryl S400. The active component with a bouyant density of 1.41 g/ml in isopycnic density gradient centrifugation (CsCl) shared common physico-chemical and chemical characteristics of mucus glycoproteins. Carbohydrates representing about 68% by weight were conjugated to protein by alkali-labile linkages, exclusively and were essentially free of D-mannose. Activities of Ca 125 and Ca 19-9 were both destroyed by treatment with periodate, mild alkali or neuraminidase suggesting the antigens are sialylated saccharides bound to protein by alkali-labile linkages. The fraction of monosialylated saccharide alditols isolated after reductive beta-elimination from the mucus glycoprotein was shown to inhibit monoclonal antibodies anti-(Ca 125) and anti-(Ca 19-9) in radioimmunoassay.
Alkali-Activated Aluminium-Silicate Composites as Insulation Materials for Industrial Application
NASA Astrophysics Data System (ADS)
Dembovska, L.; Bajare, D.; Pundiene, I.; Bumanis, G.
2015-11-01
The article reports on the study of thermal stability of alkali-activated aluminium- silicate composites (ASC) at temperature 800-1100°C. ASC were prepared by using calcined kaolinite clay, aluminium scrap recycling waste, lead-silicate glass waste and quartz sand. As alkali activator, commercial sodium silicate solution modified with an addition of sodium hydroxide was used. The obtained alkali activation solution had silica modulus Ms=1.67. Components of aluminium scrap recycling waste (aluminium nitride (AlN) and iron sulphite (FeSO3)) react in the alkali media and create gases - ammonia and sulphur dioxide, which provide the porous structure of the material [1]. Changes in the chemical composition of ASC during heating were identified and quantitatively analysed by using DTA/TG, dimension changes during the heating process were determined by using HTOM, pore microstructure was examined by SEM, and mineralogical composition of ASC was determined by XRD. The density of ASC was measured in accordance with EN 1097-7. ASC with density around 560 kg/m3 and heat resistance up to 1100°C with shrinkage less than 5% were obtained. The intended use of this material is the application as an insulation material for industrial purposes at elevated temperatures.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bernal, Susan A., E-mail: s.bernal@sheffield.ac.uk; Department of Materials Science and Engineering, The University of Sheffield, Sheffield S1 3JD; Provis, John L., E-mail: j.provis@sheffield.ac.uk
2013-11-15
Binders formed through alkali-activation of slags and fly ashes, including ‘fly ash geopolymers’, provide appealing properties as binders for low-emissions concrete production. However, the changes in pH and pore solution chemistry induced during accelerated carbonation testing provide unrealistically low predictions of in-service carbonation resistance. The aluminosilicate gel remaining in an alkali-activated slag system after accelerated carbonation is highly polymerised, consistent with a decalcification mechanism, while fly ash-based binders mainly carbonate through precipitation of alkali salts (bicarbonates at elevated CO{sub 2} concentrations, or carbonates under natural exposure) from the pore solution, with little change in the binder gel identifiable by nuclearmore » magnetic resonance spectroscopy. In activated fly ash/slag blends, two distinct gels (C–A–S–H and N–A–S–H) are formed; under accelerated carbonation, the N–A–S–H gel behaves comparably to fly ash-based systems, while the C–A–S–H gel is decalcified similarly to alkali-activated slag. This provides new scope for durability optimisation, and for developing appropriate testing methodologies. -- Highlights: •C-A-S-H gel in alkali-activated slag decalcifies during accelerated carbonation. •Alkali-activated fly ash gel changes much less under CO{sub 2} exposure. •Blended slag-fly ash binder contains two coexisting gel types. •These two gels respond differently to carbonation. •Understanding of carbonation mechanisms is essential in developing test methods.« less
Anjaneyalu, Y V; Jagadish, R L; Raju, T S
1997-06-01
Polysaccharide components present in the pseudo-stem (scape) of M. paradisiaca were purified from acetone powder of the scape by delignification followed by extraction with aqueous solvents into water soluble polysaccharide (WSP), EDTA-soluble polysaccharide (EDTA-SP), alkali-soluble polysaccharide (ASP) and alkali-insoluble polysaccharide (AISP) fractions. Sugar compositional analysis showed that WSP and EDTA-SP contained only D-Glc whereas ASP contained D-Glc, L-Ara and D-Xyl in approximately 1:1:10 ratio, respectively, and AISP contained D-Glc, L-Ara and D-Xyl in approximately 10:1:2 ratio, respectively. WSP was further purified by complexation with iso-amylalcohol and characterized by specific rotation, IR spectroscopy, Iodine affinity, ferricyanide number, blue value, hydrolysis with alpha-amylase and glucoamylase, and methylation linkage analysis, and shown to be a amylopectin type alpha-D-glucan.
Adverse effects of mineral-alkali reactions in alkaline flooding: Final report
DOE Office of Scientific and Technical Information (OSTI.GOV)
Thornton, S.D.
1988-01-01
Two slim-tube experiments and supporting bottle tests were performed for a study of sandstone-alkali reactions. The two samples of reservoir sandstone used are from oilfields in the People's Republic of China. The first sandstone contains 16 percent clay and is from the Gu-Dao oilfield. The second sandstone contains 12 percent clay and is from the Liao-He oilfield. These two sandstones were allowed to react with alkaline solutions in 6-month bottle tests. Each sandstone consumed the most alkali from 0.5 N NaOH solution, an intermediate amount of alkali from 0.5 N Na/sub 2/SiO/sub 3/ solution, and the least amount of alkalimore » from 0.5 N Na/sub 2/CO/sub 3/ solution. 59 refs., 14 figs., 20 tabs.« less
Sodium dopants in helium clusters: Structure, equilibrium and submersion kinetics
DOE Office of Scientific and Technical Information (OSTI.GOV)
Calvo, F.
Alkali impurities bind to helium nanodroplets very differently depending on their size and charge state, large neutral or charged dopants being wetted by the droplet whereas small neutral impurities prefer to reside aside. Using various computational modeling tools such as quantum Monte Carlo and path-integral molecular dynamics simulations, we have revisited some aspects of the physical chemistry of helium droplets interacting with sodium impurities, including the onset of snowball formation in presence of many-body polarization forces, the transition from non-wetted to wetted behavior in larger sodium clusters, and the kinetics of submersion of small dopants after sudden ionization.
Ab Initio Study of KCl and AgCl Clusters.
NASA Astrophysics Data System (ADS)
McKeough, James; Hira, Ajit; Cathey, Tommy; Valdez, Alexandra
This paper presents a theoretical study of molecular clusters that examines the chemical and physical properties of small KnCln and AgnCln clusters (n = 2 - 24). Due to combinations of attractive and repulsive long-range forces, such clusters exhibit structural and dynamical behavior different from that of homogeneous clusters. The potentially important role of these molecular species in biochemical and medicinal processes is widely known. This work applies the hybrid ab initio methods to derive the different alkali-halide (MnHn) geometries. Of particular interest is the competition between hexagonal ring geometries and rock salt structures. Electronic energies, rotational constants, dipole moments, and vibrational frequencies for these geometries are calculated. Magic numbers for cluster stability are identified and are related to the property of cluster compactness. Mapping of the singlet, triplet, and quintet, potential energy surfaces is performed. Calculations were performed to examine the interactions of these clusters with some atoms and molecules of biological interest, including O, O2, and Fe. Potential design of new medicinal drugs is explored. We will also investigate model and material dependence of the results. AMP program of the National Science Foundation.
Kusche, Matthias; Bustillo, Karen; Agel, Friederike; ...
2015-01-29
Here, we describe an economical and convenient method to improve the performance of Pt/alumina catalysts for the water–gas shift reaction through surface modification of the catalysts with alkali hydroxides according to the solid catalyst with ionic liquid layer approach. The results are in agreement with our findings reported earlier for methanol steam reforming. This report indicates that alkali doping of the catalyst plays an important role in the observed catalyst activation. In addition, the basic and hygroscopic nature of the salt coating contributes to a significant improvement in the performance of the catalyst. During the reaction, a partly liquid filmmore » of alkali hydroxide forms on the alumina surface, which increases the availability of H 2O at the catalytically active sites. Kinetic studies reveal a negligible effect of the KOH coating on the rate dependence of CO and H 2O partial pressures. In conclusion, TEM studies indicate an agglomeration of the active Pt clusters during catalyst preparation; restructuring of Pt nanoparticles occurs under reaction conditions, which leads to a highly active and stable system over 240h time on stream. Excessive pore fillings with KOH introduce a mass transfer barrier as indicated in a volcano-shaped curve of activity versus salt loading. The optimum KOH loading was found to be 7.5wt%.« less
The Effect of Radiation "Memory" in Alkali-Halide Crystals
NASA Astrophysics Data System (ADS)
Korovkin, M. V.; Sal'nikov, V. N.
2017-01-01
The exposure of the alkali-halide crystals to ionizing radiation leads to the destruction of their structure, the emergence of radiation defects, and the formation of the electron and hole color centers. Destruction of the color centers upon heating is accompanied by the crystal bleaching, luminescence, and radio-frequency electromagnetic emission (REME). After complete thermal bleaching of the crystal, radiation defects are not completely annealed, as the electrons and holes released from the color centers by heating leave charged and locally uncompensated defects. Clusters of these "pre centers" lead to electric microheterogeneity of the crystal, the formation of a quasi-electret state, and the emergence of micro-discharges accompanied by radio emission. The generation of REME associated with residual defectiveness, is a manifestation of the effect of radiation "memory" in dielectrics.
NASA Astrophysics Data System (ADS)
Santillan, Julius Joseph; Shichiri, Motoharu; Itani, Toshiro
2016-03-01
This work focuses on the application of a high speed atomic force microscope (HS-AFM) for the in situ visualization / quantification of the resist dissolution process. This technique, as reported in the past, has provided useful pointers on the formation of resist patterns during dissolution. This paper discusses about an investigation made on the quantification of what we refer to as "dissolution unit size" or the basic units of patterning material dissolution. This was done through the establishment of an originally developed analysis method which extracts the difference between two succeeding temporal states of the material film surface (images) to indicate the amount of change occurring in the material film at a specific span of time. Preliminary experiments with actual patterning materials were done using a positive-tone EUV model resist composed only of polyhydroxystyrene (PHS)-based polymer with a molecular weight of 2,500 and a polydispersity index of 1.2. In the absence of a protecting group, the material was utilized at a 50nm film thickness with post application bake of 90°C/60s. The resulting film is soluble in the alkali-based developer even without exposure. Results have shown that the dissolution components (dissolution unit size) of the PHS-based material are not of fixed size. Instead, it was found that aside from one constantly dissolving unit size, another, much larger dissolution unit size trend also occurs during material dissolution. The presence of this larger dissolution unit size suggests an occurrence of "polymer clustering". Such polymer clustering was not significantly present during the initial stages of dissolution (near the original film surface) but becomes more persistently obvious after the dissolution process reaches a certain film thickness below the initial surface.
The Key Role of U28 in the Aqueous Self-Assembly of Uranyl Peroxide Nanocages.
Falaise, Clément; Nyman, May
2016-10-04
For 11 years now, the structural diversity and aesthetic beauty of uranyl-peroxide capsules have fascinated researchers from the diverse fields of mineralogy, polyoxometalate chemistry, and nuclear fuel technologies. There is still much to be learned about the mechanisms of the self-assembly process, and the role of solution parameters including pH, alkali template, temperature, time, and others. Here we have exploited the high solubility of the UO2 (2+) /H2 O2 /LiOH aqueous system to address the effect of the hydroxide concentration. Important techniques of this study are single-crystal X-ray diffraction, small-angle X-ray scattering, and Raman spectroscopy. Three key phases dominate the solution speciation as a function of time and the LiOH/UO2 (2+) ratio: the uranyl-triperoxide monomer [UO2 (O2 )3 ](4-) and the two capsules [(UO2 )(O2 )(OH)]24 (24-) (U24 ) and [(UO2 )(O2 )1.5 ]28 (28-) (U28 ). When the LiOH/U ratio is around three, U28 forms rapidly and this cluster can be isolated in high yield and purity. This result was most surprising and challenges the hypothesis that alkali templating is the most important determinant in the cluster geometry. Moreover, analogous experiments with KOH, NH4 OH, and TEAOH (TEA=tetraethylammonium) also rapidly yield U28 , which suggests that U28 is the kinetically favored species. Complete mapping of the pH-time phase space reveals only a narrow window of the U28 dominance, which is why it was previously overlooked as an important kinetic species in this chemical system, as well as others with different counterions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Alkali semi-metal films and method and apparatus for fabricating them
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bhandari, Harish B.; Nagarkar, Vivek V.; Ovechkina, Olena E.
Methods and systems for fabricating a film, such as, for example, a photocathode, having a tailored band structure and thin-film components that can be tailored for specific applications, such as, for example photocathode having a high quantum efficiency, and simple components fabricated by those methods.
Alkali (Li, K and Na) and alkali-earth (Be, Ca and Mg) adatoms on SiC single layer
NASA Astrophysics Data System (ADS)
Baierle, Rogério J.; Rupp, Caroline J.; Anversa, Jonas
2018-03-01
First-principles calculations within the density functional theory (DFT) have been addressed to study the energetic stability, and electronic properties of alkali and alkali-earth atoms adsorbed on a silicon carbide (SiC) single layer. We observe that all atoms are most stable (higher binding energy) on the top of a Si atom, which moves out of the plane (in the opposite direction to the adsorbed atom). Alkali atoms adsorbed give raise to two spin unpaired electronic levels inside the band gap leading the SiC single layer to exhibit n-type semiconductor properties. For alkaline atoms adsorbed there is a deep occupied spin paired electronic level inside the band gap. These finding suggest that the adsorption of alkaline and alkali-earth atoms on SiC layer is a powerful feature to functionalize two dimensional SiC structures, which can be used to produce new electronic, magnetic and optical devices as well for hydrogen and oxygen evolution reaction (HER and OER, respectively). Furthermore, we observe that the adsorption of H2 is ruled by dispersive forces (van der Waals interactions) while the O2 molecule is strongly adsorbed on the functionalized system.
The Two-Component Virial Theorem and the Physical Properties of Stellar Systems.
Dantas; Ribeiro; Capelato; de Carvalho RR
2000-01-01
Motivated by present indirect evidence that galaxies are surrounded by dark matter halos, we investigate whether their physical properties can be described by a formulation of the virial theorem that explicitly takes into account the gravitational potential term representing the interaction of the dark halo with the baryonic or luminous component. Our analysis shows that the application of such a "two-component virial theorem" not only accounts for the scaling relations displayed by, in particular, elliptical galaxies, but also for the observed properties of all virialized stellar systems, ranging from globular clusters to galaxy clusters.
Pöntinen, Anna; Lindström, Miia; Skurnik, Mikael; Korkeala, Hannu
2017-08-01
To study the role of each two-component system (TCS) histidine kinase (HK) in stress tolerance of Listeria monocytogenes EGD-e, we monitored the growth of individual HK deletion mutant strains under heat (42.5 °C), acid (pH 5.6), alkali (pH 9.4), osmotic (6% NaCl), ethanol (3.5 vol%), and oxidative (5 mM H 2 O 2 ) stresses. The growth of ΔliaS (Δlmo1021) strain was impaired under each stress, with the most notable decrease under heat and osmotic stresses. The ΔvirS (Δlmo1741) strain showed nearly completely restricted growth at high temperature and impaired growth in ethanol. The growth of ΔagrC (Δlmo0050) strain was impaired under osmotic stress and slightly under oxidative stress. We successfully complemented the HK mutations using a novel allelic exchange based approach. This approach avoided the copy-number problems associated with in trans complementation from a plasmid. The mutant phenotypes were restored to the wild-type level in the complemented strains. This study reveals novel knowledge on the HKs needed for growth of L. monocytogenes EGD-e under abovementioned stress conditions, with LiaS playing multiple roles in stress tolerance of L. monocytogenes EGD-e. Copyright © 2017 Elsevier Ltd. All rights reserved.
Characterization of EDTA-soluble polysaccharides from the scape of Musa paradisiaca (banana).
Raju, T S; Jagadish, R L; Anjaneyalu, Y V
2001-02-01
The polysaccharide components present in the scape of Musa paradisiaca (banana) were fractionated into water-soluble (WSP), EDTA-soluble (EDTA-SP), alkali-soluble (ASP) and alkali-insoluble (AISP) polysaccharide fractions [Anjaneyalu, Jagadish and Raju (1997) Glycoconj. J. 14, 507-512]. The EDTA-SP was further fractionated by iso-amyl alcohol into EDTA-SP-A and EDTA-SP-B. The homogeneity of these two polysaccharides was established by repeated precipitation with iso-amyl alcohol, gel-filtration chromatography and sedimentation analysis. The polysaccharides were characterized by monosaccharide composition analysis, methylation linkage analysis, iodine affinity, ferricyanide number, blue value, hydrolysis with alpha-amylase, gold-electron microscopy and X-ray diffraction spectroscopy. Data from all of these studies suggest that EDTA-SP-A is a branched amylose-type alpha-D-glucan and that EDTA-SP-B is a highly branched amylopectin-type polymer. The nature of the branching patterns of these polysaccharides suggests that they are unique to M. paradisiaca.
Use of multivariate statistics to identify unreliable data obtained using CASA.
Martínez, Luis Becerril; Crispín, Rubén Huerta; Mendoza, Maximino Méndez; Gallegos, Oswaldo Hernández; Martínez, Andrés Aragón
2013-06-01
In order to identify unreliable data in a dataset of motility parameters obtained from a pilot study acquired by a veterinarian with experience in boar semen handling, but without experience in the operation of a computer assisted sperm analysis (CASA) system, a multivariate graphical and statistical analysis was performed. Sixteen boar semen samples were aliquoted then incubated with varying concentrations of progesterone from 0 to 3.33 µg/ml and analyzed in a CASA system. After standardization of the data, Chernoff faces were pictured for each measurement, and a principal component analysis (PCA) was used to reduce the dimensionality and pre-process the data before hierarchical clustering. The first twelve individual measurements showed abnormal features when Chernoff faces were drawn. PCA revealed that principal components 1 and 2 explained 63.08% of the variance in the dataset. Values of principal components for each individual measurement of semen samples were mapped to identify differences among treatment or among boars. Twelve individual measurements presented low values of principal component 1. Confidence ellipses on the map of principal components showed no statistically significant effects for treatment or boar. Hierarchical clustering realized on two first principal components produced three clusters. Cluster 1 contained evaluations of the two first samples in each treatment, each one of a different boar. With the exception of one individual measurement, all other measurements in cluster 1 were the same as observed in abnormal Chernoff faces. Unreliable data in cluster 1 are probably related to the operator inexperience with a CASA system. These findings could be used to objectively evaluate the skill level of an operator of a CASA system. This may be particularly useful in the quality control of semen analysis using CASA systems.
Hemicellulose and lignin removal on typha fiber by alkali treatment
NASA Astrophysics Data System (ADS)
Ikramullah; Rizal, Samsul; Thalib, Sulaiman; Huzni, Syifaul
2018-05-01
One of the methods commonly utilized to alter the surfaces of natural fibers for improving the interface compatibility among fiber and polymer matrix is by alkali treatment. Several natural fibers have been experimented with alkali treatments such as abaca, borassus and kenaf. There is a relatively few of literature that reports the FTIR investigation of Typha fibers. The purpose of this study is to determine the effect of alkali treatment on Typha fiber. Two of three bundle fibers are immersed in a 5% NaOH solution for one and two hours. The chemical structure of alkali-treated and untreated fibers are both being analyzed by Fourier Transform Infrared Spectroscopy (FTIR) instrument. The emergence of peak at 1155.36 cm-1 in strong intensity denotes the C-O-C asymmetric stretching in cellulose compound. The lignin composition of the fiber is typified by the stretching band of C-O group at 1247 cm-1. Meanwhile, the peak at 1735.03 cm-1 wavenumber is allegedly C=O stretching evidencing the existence of hemicelluloses and pectin. The peaks which are suspected to be hemicellulose, lignin and pectin are no longer visible in alkali treated Typha fiber. Giving alkali treatment to Typha fiber has been successfully removed impurities (hemicelluloses and lignin), as approved by the FTIR analysis. This will lead to a better contact and bonding mechanism between fiber and polymer matrix.
Al4H7− is a resilient building block for aluminum hydrogen cluster materials
Roach, P. J.; Reber, A. C.; Woodward, W. H.; Khanna, S. N.; Castleman, A. W.
2007-01-01
The formation and oxygen etching of AlnHm− clusters are characterized in a flow reactor experiment with first-principles theoretical investigations to demonstrate the exceptional stability of Al4H7−. The origin of the preponderance of Al4H7− in the mass spectra of hydrogenated aluminum anions and its resistance to O2 etching are discussed. Al4H7− is shown to have the ability to bond with ionic partners to form stable hydrides through addition of an alkali atom [XAl4H7 (X = Li-Cs)]. An intuitive model that can predict the existence of stable hydrogenated cluster species is proposed. The potential synthetic utility of the superatom assemblies built on these units is addressed. PMID:17823245
Alkali-metal silicate binders and methods of manufacture
NASA Technical Reports Server (NTRS)
Schutt, J. B. (Inventor)
1979-01-01
A paint binder is described which uses a potassium or sodium silicate dispersion having a silicon dioxide to alkali-metal oxide mol ratio of from 4.8:1 to 6.0:1. The binder exhibits stability during both manufacture and storage. The process of making the binder is predictable and repeatable and the binder may be made with inexpensive components. The high mol ratio is achieved with the inclusion of a silicon dioxide hydrogel. The binder, which also employs a silicone, is in the final form of a hydrogel sol.
Thermal effects in Cs DPAL and alkali cell window damage
NASA Astrophysics Data System (ADS)
Zhdanov, B. V.; Rotondaro, M. D.; Shaffer, M. K.; Knize, R. J.
2016-10-01
Experiments on power scaling of Diode Pumped Alkali Lasers (DPALs) revealed some limiting parasitic effects such as alkali cell windows and gain medium contamination and damage, output power degradation in time and others causing lasing efficiency decrease or even stop lasing1 . These problems can be connected with thermal effects, ionization, chemical interactions between the gain medium components and alkali cells materials. Study of all these and, possibly, other limiting effects and ways to mitigate them is very important for high power DPAL development. In this talk we present results of our experiments on temperature measurements in the gain medium of operating Cs DPAL at different pump power levels in the range from lasing threshold to the levels causing damage of the alkali cell windows. For precise contactless in situ temperature measurements, we used an interferometric technique, developed in our lab2 . In these experiments we demonstrated that damage of the lasing alkali cell starts in the bulk with thermal breakdown of the hydrocarbon buffer gas. The degradation processes start at definite critical temperatures of the gain medium, different for each mixture of buffer gas. At this critical temperature, the hydrocarbon and the excited alkali metal begin to react producing the characteristic black soot and, possibly, some other chemical compounds, which both harm the laser performance and significantly increase the harmful heat deposition within the laser medium. This soot, being highly absorptive, is catastrophically heated to very high temperatures that visually observed as bulk burning. This process quickly spreads to the cell windows and causes their damage. As a result, the whole cell is also contaminated with products of chemical reactions.
Alkali-explosion pretreatment of straw and bagasse for enzymic hydrolysis.
Puri, V P; Pearce, G R
1986-04-01
Sugarcane bagasse and wheat straw were subjected to alkali treatment at 200 degrees C for 5 min and at 3.45 MPa gas pressure (steam and nitrogen), followed by an explosive discharge through a defibrating nozzle, in an attempt to improve the rate and extent of digestibility. The treatment resulted in the solubilization of 40-45% of the components and in the production of a pulp that gave saccharification yields of 80 and 65% in 8 h for bagasse and wheat straw, respectively. By comparison, alkali steaming at 200 degrees C (1.72 MPa) for 5 min gave saccharification yields of only 58 and 52% in 48 h. The increase in temperature from 140 to 200 degrees C resulted in a gradual increase in in vitro organic matter digestibility (IVOMD) for both the substrates. Also, the extent of alkalinity during pretreatment appears to effect the reactivity of the final product towards enzymes. Pretreatment times ranging from 5 to 60 caused a progressive decline in the IVOMD of bagasse and wheat straw by the alkali explosion method and this was accompanied by a progressive decrease in pH values after explosion. In the alkali-steaming method, pretreatment time had no apparent effect with either substrate. An analysis of the alkali-exploded products showed that substantial amounts of hemicellulose and a small proportion of the lignin were solubilized. The percentage crystallinity of the cellulose did not alter in either substrate but there was a substantial reduction in the degree of polymerization. The superiority of the alkali-explosion pretreatment is attributed to the efficacy of fiber separation and disintegration; this increases the surface area and reduces the degree of polymerization.
Enzymatic and chemical treatment limits on the controlled solubilization of brewers' spent grain.
Robertson, James A; Castro-Mariñas, Luis; Collins, Samuel R A; Faulds, Craig B; Waldron, Keith W
2011-10-26
The enzymatic hydrolysis of brewers' spent grain (BSG) has been investigated through treatment with commercial carbohydrases and proteases. Resultant residues were then chemically fractionated and delignified. Enzymatic treatments released 25-30% of the BSG mass and yielded precursors suitable for subsequent conversion to potentially value-added products. Controlled chemical fractionation selectively solubilized arabinoxylan but with no differences apparent due to prior enzyme treatment. The loss of non-polysaccharide components during alkali treatment suggests the presence of a high proportion of alkali-soluble lignin. Further delignification of the alkali-insoluble residues and further chemical fractionation released the remaining hemicellulose, to yield a residue which was >90% cellulose. Further knowledge of the properties and interaction between BSG polymers will facilitate an improved enzyme-assisted total deconstruction of BSG and hence the exploitation of its biomass.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gao, Yunyi; Haso, Fadi; Szymanowski, Jennifer E. S.
2015-11-16
The precise guidance to different ions across the biological channels is essential for many biological processes. An artificial nanopore system will facilitate the study of the ion-transport mechanism through nanosized channels and offer new views for designing nanodevices. Herein we reveal that a 2.5 nm-sized, fullerene-shaped molecular cluster Li48+mK12(OH)m[UO2(O2)(OH)]60-(H2O)n (m≈20 and n≈310) (U60) shows selective permeability to different alkali ions. The subnanometer pores on the water–ligand-rich surface of U60 are able to block Rb+ and Cs+ ions from passing through, while allowing Na+ and K+ ions, which possess larger hydrated sizes, to enter the interior space of U60. An interestinglymore » high entropy gain during the binding process between U60 and alkali ions suggests that the hydration shells of Na+/K+ and U60 are damaged during the interaction. The ion selectivity of U60 is greatly influenced by both the morphologies of the surface nanopores and the dynamics of the hydration shells.« less
Alkali elemental and potassium isotopic compositions of Semarkona chondrules
Alexander, C.M. O'D.; Grossman, J.N.
2005-01-01
We report measurements of K isotope ratios in 28 Semarkona chondrules with a wide range of petrologic types and bulk compositions as well as the compositions of CPX-mesostasis pairs in 17 type I Semarkona chondrules, including two chondrules with radial alkali zonation and 19 type II chondrules. Despite the wide range in K/Al ratios, no systematic variations in K isotopic compositions were found. Semarkona chondrules do not record a simple history of Rayleigh-type loss of K. Experimentally determined evaporation rates suggest that considerable alkali evaporation would have occurred during chondrule formation. Nevertheless, based on Na CPX-mesostasis distribution coefficients, the alkali contents of the cores of most chondrules in Semarkona were probably established at the time of final crystallization. However, Na CPX-mesostasis distribution coefficients also show that alkali zonation in type I Semarkona chondrules was produced by entry of alkalis after solidification, probably during parent body alteration. This alkali metasomatism may have gone to completion in some chondrules. Our preferred explanation for the lack of systematic isotopic enrichments, even in alkali depleted type I chondrule cores, is that they exchanged with the ambient gas as they cooled. ?? The Meteoritical Society, 2005.
Atom chips with free-standing two-dimensional electron gases: advantages and challenges
NASA Astrophysics Data System (ADS)
Sinuco-León, G. A.; Krüger, P.; Fromhold, T. M.
2018-03-01
In this work, we consider the advantages and challenges of using free-standing two-dimensional electron gases (2DEG) as active components in atom chips for manipulating ultracold ensembles of alkali atoms. We calculate trapping parameters achievable with typical high-mobility 2DEGs in an atom chip configuration and identify advantages of this system for trapping atoms at sub-micron distances from the atom chip. We show how the sensitivity of atomic gases to magnetic field inhomogeneity can be exploited for controlling the atoms with quantum electronic devices and, conversely, using the atoms to probe the structural and transport properties of semiconductor devices.
PCA based clustering for brain tumor segmentation of T1w MRI images.
Kaya, Irem Ersöz; Pehlivanlı, Ayça Çakmak; Sekizkardeş, Emine Gezmez; Ibrikci, Turgay
2017-03-01
Medical images are huge collections of information that are difficult to store and process consuming extensive computing time. Therefore, the reduction techniques are commonly used as a data pre-processing step to make the image data less complex so that a high-dimensional data can be identified by an appropriate low-dimensional representation. PCA is one of the most popular multivariate methods for data reduction. This paper is focused on T1-weighted MRI images clustering for brain tumor segmentation with dimension reduction by different common Principle Component Analysis (PCA) algorithms. Our primary aim is to present a comparison between different variations of PCA algorithms on MRIs for two cluster methods. Five most common PCA algorithms; namely the conventional PCA, Probabilistic Principal Component Analysis (PPCA), Expectation Maximization Based Principal Component Analysis (EM-PCA), Generalize Hebbian Algorithm (GHA), and Adaptive Principal Component Extraction (APEX) were applied to reduce dimensionality in advance of two clustering algorithms, K-Means and Fuzzy C-Means. In the study, the T1-weighted MRI images of the human brain with brain tumor were used for clustering. In addition to the original size of 512 lines and 512 pixels per line, three more different sizes, 256 × 256, 128 × 128 and 64 × 64, were included in the study to examine their effect on the methods. The obtained results were compared in terms of both the reconstruction errors and the Euclidean distance errors among the clustered images containing the same number of principle components. According to the findings, the PPCA obtained the best results among all others. Furthermore, the EM-PCA and the PPCA assisted K-Means algorithm to accomplish the best clustering performance in the majority as well as achieving significant results with both clustering algorithms for all size of T1w MRI images. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Riera, Marc; Mardirossian, Narbe; Bajaj, Pushp; Götz, Andreas W.; Paesani, Francesco
2017-10-01
This study presents the extension of the MB-nrg (Many-Body energy) theoretical/computational framework of transferable potential energy functions (PEFs) for molecular simulations of alkali metal ion-water systems. The MB-nrg PEFs are built upon the many-body expansion of the total energy and include the explicit treatment of one-body, two-body, and three-body interactions, with all higher-order contributions described by classical induction. This study focuses on the MB-nrg two-body terms describing the full-dimensional potential energy surfaces of the M+(H2O) dimers, where M+ = Li+, Na+, K+, Rb+, and Cs+. The MB-nrg PEFs are derived entirely from "first principles" calculations carried out at the explicitly correlated coupled-cluster level including single, double, and perturbative triple excitations [CCSD(T)-F12b] for Li+ and Na+ and at the CCSD(T) level for K+, Rb+, and Cs+. The accuracy of the MB-nrg PEFs is systematically assessed through an extensive analysis of interaction energies, structures, and harmonic frequencies for all five M+(H2O) dimers. In all cases, the MB-nrg PEFs are shown to be superior to both polarizable force fields and ab initio models based on density functional theory. As previously demonstrated for halide-water dimers, the MB-nrg PEFs achieve higher accuracy by correctly describing short-range quantum-mechanical effects associated with electron density overlap as well as long-range electrostatic many-body interactions.
HEAO A-2 observations of the X-ray spectra of the Centaurus and A1060 clusters of galaxies
NASA Technical Reports Server (NTRS)
Mitchell, R.; Mushotzky, R.
1980-01-01
X-ray spectral observations of two nearby low-luminosity clusters of galaxies are presented. For the Centaurus cluster an emission feature at 7.9 keV is detected at about one-third of the strength of the 6.7 keV line. This higher energy line represents K-beta emission from highly ionized iron. In addition, it is demonstrated that for neither the Centaurus nor the A1060 cluster can an isothermal model with an Fe emission line adequately fit the data. Instead, the simplest models which provide acceptable fits include a second, harder component which may be either a second exponential or a power law. The implications of the two-component nature of the continuum on the Fe abundance and the X-ray surface-brightness distribution are discussed.
NASA Astrophysics Data System (ADS)
Farsadnia, Farhad; Ghahreman, Bijan
2016-04-01
Hydrologic homogeneous group identification is considered both fundamental and applied research in hydrology. Clustering methods are among conventional methods to assess the hydrological homogeneous regions. Recently, Self-Organizing feature Map (SOM) method has been applied in some studies. However, the main problem of this method is the interpretation on the output map of this approach. Therefore, SOM is used as input to other clustering algorithms. The aim of this study is to apply a two-level Self-Organizing feature map and Ward hierarchical clustering method to determine the hydrologic homogenous regions in North and Razavi Khorasan provinces. At first by principal component analysis, we reduced SOM input matrix dimension, then the SOM was used to form a two-dimensional features map. To determine homogeneous regions for flood frequency analysis, SOM output nodes were used as input into the Ward method. Generally, the regions identified by the clustering algorithms are not statistically homogeneous. Consequently, they have to be adjusted to improve their homogeneity. After adjustment of the homogeneity regions by L-moment tests, five hydrologic homogeneous regions were identified. Finally, adjusted regions were created by a two-level SOM and then the best regional distribution function and associated parameters were selected by the L-moment approach. The results showed that the combination of self-organizing maps and Ward hierarchical clustering by principal components as input is more effective than the hierarchical method, by principal components or standardized inputs to achieve hydrologic homogeneous regions.
NASA Technical Reports Server (NTRS)
Muzzin, Adam; Wilson, Gillian; Yee, H.K.C.; Hoekstra, Henk; Gilbank, David; Surace, Jason; Lacy, Mark; Blindert, Kris; Majumdar, Subhabrata; Demarco, Ricardo;
2008-01-01
The Spitzer Adaptation of the Red-sequence Cluster Survey (SpARCS) is a deep z -band imaging survey covering the Spitzer SWIRE Legacy fields designed to create the first large homogeneously-selected sample of massive clusters at z > 1 using an infrared adaptation of the cluster red-sequence method. We present an overview of the northern component of the survey which has been observed with CFHT/MegaCam and covers 28.3 deg(sup 2). The southern component of the survey was observed with CTIO/MOSAICII, covers 13.6 deg(sup 2), and is summarized in a companion paper by Wilson et al. (2008). We also present spectroscopic confirmation of two rich cluster candidates at z approx. 1.2. Based on Nod-and- Shuffle spectroscopy from GMOS-N on Gemini there are 17 and 28 confirmed cluster members in SpARCS J163435+402151 and SpARCS J163852+403843 which have spectroscopic redshifts of 1.1798 and 1.1963, respectively. The clusters have velocity dispersions of 490 +/- 140 km/s and 650 +/- 160 km/s, respectively which imply masses (M(sub 200)) of (1.0 +/- 0.9) x 10(exp 14) Stellar Mass and (2.4 +/- 1.8) x 10(exp 14) Stellar Mass. Confirmation of these candidates as bonafide massive clusters demonstrates that two-filter imaging is an effective, yet observationally efficient, method for selecting clusters at z > 1.
X-ray spectral observations of clusters of galaxies undergoing merger events
NASA Astrophysics Data System (ADS)
Henriksen, Mark J.
1993-09-01
We have analyzed the HEAO 1 A2 observations of two clusters whose optical and X-ray isophotes are suggestive of merging subclusters, A119 and A754, and find evidence of nonisothermal X-ray emission from both clusters. The X-ray spectrum of both clusters, when fitted with a single isothermal model, shows residual soft X-ray emission. There is a statistically significant reduction in chi-squared (98 percent probability based on the F-test) when a second temperature component is added. If the asymmetric isophotes seen in the soft X-ray image are indicative of merging subclusters, then our analysis of the Einstein IPC spectra and Solid State Spectrometer observations of A754, which provide some spatial and spectral resolution, suggests that the two temperature components seen in the HEAO 1 A2 spectra are associated with gas trapped in the subcluster potential wells. The implied subcluster isothermal masses suggest that a more massive cluster is accreting a less massive companion in A754. The present observations cannot rule out the alternative possibility that the cooler gas is associated with the outer cluster atmosphere rather than individual subclusters, as appears to be the case for A119. Astro D observations will be necessary to distinguish between these two possibilities for both clusters.
NASA Astrophysics Data System (ADS)
Ginanjar, Irlandia; Pasaribu, Udjianna S.; Indratno, Sapto W.
2017-03-01
This article presents the application of the principal component analysis (PCA) biplot for the needs of data mining. This article aims to simplify and objectify the methods for objects clustering in PCA biplot. The novelty of this paper is to get a measure that can be used to objectify the objects clustering in PCA biplot. Orthonormal eigenvectors, which are the coefficients of a principal component model representing an association between principal components and initial variables. The existence of the association is a valid ground to objects clustering based on principal axes value, thus if m principal axes used in the PCA, then the objects can be classified into 2m clusters. The inter-city buses are clustered based on maintenance costs data by using two principal axes PCA biplot. The buses are clustered into four groups. The first group is the buses with high maintenance costs, especially for lube, and brake canvass. The second group is the buses with high maintenance costs, especially for tire, and filter. The third group is the buses with low maintenance costs, especially for lube, and brake canvass. The fourth group is buses with low maintenance costs, especially for tire, and filter.
Mass Spectrometric Analyses of Phosphatidylcholines in Alkali-Exposed Corneal Tissue
Crane, Ashley M.; Hua, Hong-Uyen; Coggin, Andrew D.; Gugiu, Bogdan G.; Lam, Byron L.; Bhattacharya, Sanjoy K.
2012-01-01
Purpose. The aims were to determine whether exposure to sodium hydroxide results in predictable changes in phosphatidylcholine (PC) in corneal tissue and if PC profile changes correlate to exposure duration. PCs are major components of the cell membrane lipid bilayer and are often involved in biological processes such as signaling. Methods. Enucleated porcine (n = 140) and cadaver human eyes (n = 20) were exposed to water (control) and 11 M NaOH. The corneas were excised and lipids were extracted using the Bligh and Dyer method with suitable modifications. Class-specific lipid identification was carried out using a ratiometric lipid standard on a TSQ Quantum Access Max mass spectrometer. Protein amounts were determined using Bradford assays. Results. Control and alkali-treated corneas showed reproducible PC spectra for both porcine and human corneas. Over 200 PCs were identified for human and porcine control and each experimental time point. Several PC species (m/z values) consequent upon alkali exposure could not be ascribed to a recorded PC species. Control and treated groups showed 41 and 29 common species among them for porcine and human corneas, respectively. The unique PC species peaked at 12 minutes and at 30 minutes for human and porcine corneas followed by a decline consistent with an interplay of alkali penetration and hydrolyses at various time points. Conclusions. Alkali exposure dramatically changes the PC profile of cornea. Our data are consistent with penetration and hydrolysis as stochastic contributors to changes in PCs due to exposure to alkali for a finite duration and amount. PMID:22956606
Onsager Vortex Formation in Two-component Bose-Einstein Condensates
NASA Astrophysics Data System (ADS)
Han, Junsik; Tsubota, Makoto
2018-06-01
We numerically study the dynamics of quantized vortices in two-dimensional two-component Bose-Einstein condensates (BECs) trapped by a box potential. For one-component BECs in a box potential, it is known that quantized vortices form Onsager vortices, which are clusters of same-sign vortices. We confirm that the vortices of the two components spatially separate from each other — even for miscible two-component BECs — suppressing the formation of Onsager vortices. This phenomenon is caused by the repulsive interaction between vortices belonging to different components, hence, suggesting a new possibility for vortex phase separation.
Detection of alkali-silica reaction swelling in concrete by staining
Guthrie, Jr., George D.; Carey, J. William
1998-01-01
A method using concentrated aqueous solutions of sodium cobaltinitrite and rhodamine B is described which can be used to identify concrete that contains gels formed by the alkali-silica reaction (ASR). These solutions present little health or environmental risk, are readily applied, and rapidly discriminate between two chemically distinct gels; K-rich, Na--K--Ca--Si gels are identified by yellow staining, and alkali-poor, Ca--Si gels are identified by pink staining.
Zheng, Cong Cong; Wang, Yong Jing; Sun, Hao; Wang, Xin Yu; Gao, Ying Zhi
2017-07-18
Soil salinization and overgrazing are two main factors limiting animal husbandry in the Songnen Grassland. Leymus chinensis is a dominant rhizome grass, resistant to grazing as well as to-lerant to salt stress. Foliar labeled with 15 N-urea was used to study the nitrogen allocation strategy and compensatory growth response to clipping under saline-alkali conditions. The results showed that the total absorbed 15 N allocated to the aboveground part was more than 60%. Compared with the control treatment (no saline-alkali, no clipping), saline-alkali increased the distribution of 15 N by 5.1% in root; the 15 N distribution into aboveground in the moderate clipping and saline-alkali treatment was 11.6% higher than that of the control, exhibiting over-compensatory growth of aboveground biomass and total biomass, however, 15 N allocated to stem base was significantly increased by 9.5% under severe clipping level and saline-alkali addition, showing under-compensatory growth of shoot, root and total biomass. These results suggested that L. chinensis adapted to mode-rate clipping by over-compensatory growth under salt-alkali stress condition. However, L. chinensis would take a relatively conservative growth strategy through the enhanced N allocation to stem base for storage under severe saline-alkali and clipping conditions.
Laser-Induced Photofragmentation Fluorescence Imaging of Alkali Compounds in Flames.
Leffler, Tomas; Brackmann, Christian; Aldén, Marcus; Li, Zhongshan
2017-06-01
Laser-induced photofragmentation fluorescence has been investigated for the imaging of alkali compounds in premixed laminar methane-air flames. An ArF excimer laser, providing pulses of wavelength 193 nm, was used to photodissociate KCl, KOH, and NaCl molecules in the post-flame region and fluorescence from the excited atomic alkali fragment was detected. Fluorescence emission spectra showed distinct lines of the alkali atoms allowing for efficient background filtering. Temperature data from Rayleigh scattering measurements together with simulations of potassium chemistry presented in literature allowed for conclusions on the relative contributions of potassium species KOH and KCl to the detected signal. Experimental approaches for separate measurements of these components are discussed. Signal power dependence and calculated fractions of dissociated molecules indicate the saturation of the photolysis process, independent on absorption cross-section, under the experimental conditions. Quantitative KCl concentrations up to 30 parts per million (ppm) were evaluated from the fluorescence data and showed good agreement with results from ultraviolet absorption measurements. Detection limits for KCl photofragmentation fluorescence imaging of 0.5 and 1.0 ppm were determined for averaged and single-shot data, respectively. Moreover, simultaneous imaging of KCl and NaCl was demonstrated using a stereoscope with filters. The results indicate that the photofragmentation method can be employed for detailed studies of alkali chemistry in laboratory flames for validation of chemical kinetic mechanisms crucial for efficient biomass fuel utilization.
NASA Astrophysics Data System (ADS)
Rakshit, Arpita; Ghanmi, Chedli; Berriche, Hamid; Deb, Bimalendu
2016-05-01
We study theoretically interaction potentials and low-energy collisions between different alkali atoms and alkali ions. Specifically, we consider systems such as X + {{{Y}}}+, where X({{{Y}}}+) is either Li(Cs+) or Cs(Li+), Na(Cs+) or Cs(Na+) and Li(Rb+) or Rb(Li+). We calculate the molecular potentials of the ground and first two excited states of these three systems using a pseudopotential method and compare our results with those obtained by others. We derive ground-state scattering wave functions and analyze the cold collisional properties of these systems for a wide range of energies. We find that, in order to get convergent results for the total scattering cross sections for energies of the order 1 K, one needs to take into account at least 60 partial waves. The low-energy scattering properties calculated in this paper may serve as a precursor for experimental exploration of quantum collisions between an alkali atom and an alkali ion of a different nucleus.
Ramli, Saifullah; Ismail, Noryati; Alkarkhi, Abbas Fadhl Mubarek; Easa, Azhar Mat
2010-08-01
Banana peel flour (BPF) prepared from green or ripe Cavendish and Dream banana fruits were assessed for their total starch (TS), digestible starch (DS), resistant starch (RS), total dietary fibre (TDF), soluble dietary fibre (SDF) and insoluble dietary fibre (IDF). Principal component analysis (PCA) identified that only 1 component was responsible for 93.74% of the total variance in the starch and dietary fibre components that differentiated ripe and green banana flours. Cluster analysis (CA) applied to similar data obtained two statistically significant clusters (green and ripe bananas) to indicate difference in behaviours according to the stages of ripeness based on starch and dietary fibre components. We concluded that the starch and dietary fibre components could be used to discriminate between flours prepared from peels obtained from fruits of different ripeness. The results were also suggestive of the potential of green and ripe BPF as functional ingredients in food.
Ramli, Saifullah; Ismail, Noryati; Alkarkhi, Abbas Fadhl Mubarek; Easa, Azhar Mat
2010-01-01
Banana peel flour (BPF) prepared from green or ripe Cavendish and Dream banana fruits were assessed for their total starch (TS), digestible starch (DS), resistant starch (RS), total dietary fibre (TDF), soluble dietary fibre (SDF) and insoluble dietary fibre (IDF). Principal component analysis (PCA) identified that only 1 component was responsible for 93.74% of the total variance in the starch and dietary fibre components that differentiated ripe and green banana flours. Cluster analysis (CA) applied to similar data obtained two statistically significant clusters (green and ripe bananas) to indicate difference in behaviours according to the stages of ripeness based on starch and dietary fibre components. We concluded that the starch and dietary fibre components could be used to discriminate between flours prepared from peels obtained from fruits of different ripeness. The results were also suggestive of the potential of green and ripe BPF as functional ingredients in food. PMID:24575193
Tsuzuki, Seiji; Kubota, Keigo; Matsumoto, Hajime
2013-12-19
Stable geometries and stabilization energies (Eform) of the alkali metal complexes with bis(fluorosulfonyl)amide, (fluorosulfonyl)(trifluoromethylslufonyl)amide and bis(trifluoromethylsulfonyl)amide (FSA(-), FTA(-) and TFSA(-)) were studied by ab initio molecular orbital calculations. The FSA(-) complexes prefer the bidentate structures in which two oxygen atoms of two SO2 groups have contact with the metal cation. The FTA(-) and TFSA(-) complexes with Li(+) and Na(+) prefer the bidentate structures, while the FTA(-) and TFSA(-) complexes with Cs(+) prefer tridentate structures in which the metal cation has contact with two oxygen atoms of an SO2 group and one oxygen atom of another SO2 group. The two structures are nearly isoenergetic in the FTA(-) and TFSA(-) complexes with K(+) and Rb(+). The magnitude of Eform depends on the alkali metal cation significantly. The Eform calculated for the most stable TFSA(-) complexes with Li(+), Na(+), K(+), Rb(+) and Cs(+) cations at the MP2/6-311G** level are -137.2, -110.5, -101.1, -89.6, and -84.1 kcal/mol, respectively. The viscosity and ionic conductivity of the alkali TFSA molten salts have strong correlation with the magnitude of the attraction. The viscosity increases and the ionic conductivity decreases with the increase of the attraction. The melting points of the alkali TFSA and alkali BETA molten salts also have correlation with the magnitude of the Eform, which strongly suggests that the magnitude of the attraction play important roles in determining the melting points of these molten salts. The anion dependence of the Eform calculated for the complexes is small (less than 2.9 kcal/mol). This shows that the magnitude of the attraction is not the cause of the low melting points of alkali FTA molten salts compared with those of corresponding alkali TFSA molten salts. The electrostatic interactions are the major source of the attraction in the complexes. The electrostatic energies for the most stable TFSA(-) complexes with the five alkali metal cations are -140.3, -119.4, -104.1, -96.9, and -91.1 kcal/mol, respectively. The induction interactions also contribute to the attraction. In particular, the induction interactions are large in the Li(+) complexes. The induction energies for the five complexes are -46.6, -25.2, -17.5, -13.3, and -10.4 kcal/mol, respectively.
Experimental nanocalorimetry of protonated and deprotonated water clusters
DOE Office of Scientific and Technical Information (OSTI.GOV)
Boulon, Julien; Braud, Isabelle; Zamith, Sébastien
2014-04-28
An experimental nanocalorimetric study of mass selected protonated (H{sub 2}O){sub n}H{sup +} and deprotonated (H{sub 2}O){sub n−1}OH{sup −} water clusters is reported in the size range n = 20–118. Water cluster's heat capacities exhibit a change of slope at size dependent temperatures varying from 90 to 140 K, which is ascribed to phase or structural transition. For both anionic and cationic species, these transition temperatures strongly vary at small sizes, with higher amplitude for protonated than for deprotonated clusters, and change more smoothly above roughly n ≈ 35. There is a correlation between bonding energies and transition temperatures, which ismore » split in two components for protonated clusters while only one component is observed for deprotonated clusters. These features are tentatively interpreted in terms of structural properties of water clusters.« less
NASA Astrophysics Data System (ADS)
Ma, Mengli; Lei, En; Meng, Hengling; Wang, Tiantao; Xie, Linyan; Shen, Dong; Xianwang, Zhou; Lu, Bingyue
2017-08-01
Amomum tsao-ko is a commercial plant that used for various purposes in medicinal and food industries. For the present investigation, 44 germplasm samples were collected from Jinping County of Yunnan Province. Clusters analysis and 2-dimensional principal component analysis (PCA) was used to represent the genetic relations among Amomum tsao-ko by using simple sequence repeat (SSR) markers. Clustering analysis clearly distinguished the samples groups. Two major clusters were formed; first (Cluster I) consisted of 34 individuals, the second (Cluster II) consisted of 10 individuals, Cluster I as the main group contained multiple sub-clusters. PCA also showed 2 groups: PCA Group 1 included 29 individuals, PCA Group 2 included 12 individuals, consistent with the results of cluster analysis. The purpose of the present investigation was to provide information on genetic relationship of Amomum tsao-ko germplasm resources in main producing areas, also provide a theoretical basis for the protection and utilization of Amomum tsao-ko resources.
Leven, Matthias; Neudörfl, Jörg M
2013-01-01
Summary Four catalysts based on new amides of chiral 1,2-diamines and 2-sulfobenzoic acid have been developed. The alkali-metal salts of these betaine-like amides are able to form imines with enones, which are activated by Lewis acid interaction for nucleophilic attack by 4-hydroxycoumarin. The addition of 4-hydroxycoumarin to enones gives ee’s up to 83% and almost quantitative yields in many cases. This novel type of catalysis provides an effective alternative to conventional primary amino catalysis were strong acid additives are essential components. PMID:23400419
NASA Technical Reports Server (NTRS)
Wallio, H. A.
1973-01-01
The apparent diurnal Martian surface pressure variation, as deduced from radio occultation experiments, is discussed and explained as possibly arising from the effect of a low altitude electron layer. Possible source and loss mechanisms for the low altitude electron layer are presented and discussed. Time-dependent differential equations describing the electron layer are derived and then integrated to investigate the electron distribution resulting from the several processes that might occur in the atmosphere. It is concluded that the source mechanism is the sublimation of alkali atoms from a permanent dust layer (a dust layer of 0.2 micron particles of density 9/cu cm is sufficient), and that the dominant loss process must involve CO2 clustering to the alkali atoms. Using these processes, an electron layer is developed which would explain the apparent diurnal surface pressure.
Characterization of an F-center in an alkali halide cluster
NASA Astrophysics Data System (ADS)
Bader, R. F. W.; Platts, J. A.
1997-11-01
The removal of a fluorine atom from its central position in a cubiclike Li14F13+ cluster creates an F-center vacancy that may or may not be occupied by the remaining odd electron. The topology exhibited by the electron density in Li14F12+, the F-center cluster, enables one to make a clear distinction between the two possible forms that the odd electron can assume. If it possesses a separate identity, then a local maximum in the electron density will be found within the vacancy and the F-center will behave quantum mechanically as an open system, bounded by a surface of local zero flux in the gradient vector field of the electron density. If, however, the density of the odd electron is primarily delocalized onto the neighboring ions, then a cage critical point, a local minimum in the density, will be found at the center of the vacancy. Without an associated local maximum, the vacancy has no boundary and is undefined. Self-consistent field (SCF) calculations with geometry optimization of the Li14F13+ cluster and of the doublet state of Li14F12+ show that the creation of the central vacancy has only a minor effect upon the geometry of the cluster, the result of a local maximum in the electron density being formed within the vacancy. Thus the F-center is the physical manifestation of a non-nuclear attractor in the electron density. It is consequently a proper open system with a definable set of properties, the most characteristic being its low kinetic energy per electron. In addition to determining the properties of the F-center, the effect of its formation on the energies, volumes, populations, both electron and spin, and electron localizations of the ions in the cluster are determined.
Groundwater quality assessment of urban Bengaluru using multivariate statistical techniques
NASA Astrophysics Data System (ADS)
Gulgundi, Mohammad Shahid; Shetty, Amba
2018-03-01
Groundwater quality deterioration due to anthropogenic activities has become a subject of prime concern. The objective of the study was to assess the spatial and temporal variations in groundwater quality and to identify the sources in the western half of the Bengaluru city using multivariate statistical techniques. Water quality index rating was calculated for pre and post monsoon seasons to quantify overall water quality for human consumption. The post-monsoon samples show signs of poor quality in drinking purpose compared to pre-monsoon. Cluster analysis (CA), principal component analysis (PCA) and discriminant analysis (DA) were applied to the groundwater quality data measured on 14 parameters from 67 sites distributed across the city. Hierarchical cluster analysis (CA) grouped the 67 sampling stations into two groups, cluster 1 having high pollution and cluster 2 having lesser pollution. Discriminant analysis (DA) was applied to delineate the most meaningful parameters accounting for temporal and spatial variations in groundwater quality of the study area. Temporal DA identified pH as the most important parameter, which discriminates between water quality in the pre-monsoon and post-monsoon seasons and accounts for 72% seasonal assignation of cases. Spatial DA identified Mg, Cl and NO3 as the three most important parameters discriminating between two clusters and accounting for 89% spatial assignation of cases. Principal component analysis was applied to the dataset obtained from the two clusters, which evolved three factors in each cluster, explaining 85.4 and 84% of the total variance, respectively. Varifactors obtained from principal component analysis showed that groundwater quality variation is mainly explained by dissolution of minerals from rock water interactions in the aquifer, effect of anthropogenic activities and ion exchange processes in water.
IUPAC-NIST Solubility Data Series. 75. Nonmetals in Liquid Alkali Metals
NASA Astrophysics Data System (ADS)
Borgstedt, Hans Ulrich; Guminski, Cezary; Borgstedt, Hans Ulrich; Guminski, Cezary
2001-07-01
Liquid alkali metals have several physical properties which favor their use in a number of important applications. For example, their large liquidus temperature range and their excellent heat transfer properties are important for use as heat transfer media. They are used in large nuclear reactors in which hundreds of tons of sodium are circulating, and in small parts of engines for cooling of valves. Since these metals are among the most electropositive elements, several of them (Li, Na) can be used in high specific capacity and high energy density batteries at moderately elevated temperatures. The compatibility of metallic constructional materials which are used to contain the liquid metals is strongly influenced by nonmetals present in the liquids. The physical properties of the liquid metals are also influenced by dissolved substances. Several nonmetals dissolved in alkali metals are able to form ternary compounds with components of the constructional materials. Thus, corrosion and compatibility studies have been accompanied by extensive chemical work related to the solutions of non-metallic substances in liquid alkali metals. All available solubility data of nonmetallic elements and some of their compounds in the five liquid alkali metal solvents (Li, Na, K, Rb, and Cs) are collected and compiled. Original publications with reliable data and information on the methods used to generate them are reported in individual Compilations. When numerical data are not given in a publication, the data are often read out from figures and converted into numerical data by the compilers. The precision of this procedure is indicated in the Compilations under Estimated Error. Evaluated solubility data are tabulated at the end of the Critical Evaluations: if there is agreement of at least two independent studies within the experimental error, the solubility values are assigned to the "recommended" category. Values are assigned as "tentative," if only one reliable result was reported, or if the mean value of two or more reliable studies was outside the error limits. In the tabulation, three, two, or one significant figures are assigned for respective precisions that are better than ±1% and ±10% and worse than ±10%. If necessary, the solubilities are recalculated into mol %. The completeness of this investigation of the literature has been confirmed and extended by studying several reviews dealing with the solution chemistry of substances in the alkali metals. Solubility data are sometimes measured under parameters, which are not standard conditions of such measurements. Frequently measurements are performed under constrained pressure. The solubility of noble gases or other gases, which do not form compounds with the alkali metals, depends on the gas pressures. This dependency is documented in the data sheets. Schematic phase diagrams are presented in systems for which they assist the understanding of the data and the conclusions. They are based on the most recent state of knowledge and generally presented in the Critical Evaluations. Some solubility diagrams are shown in form of a log solubility versus reciprocal temperature function. These figures illustrate the larger scatter of data for systems in which interfering reactions cause unstable behavior of solutions. While several solutes are well defined substances, other systems need still additional studies to define the equilibrium solid state compound. One should realize that estimations of the stoichiometry and thermal stability of ternary compounds are experimentally difficult, and their results are often uncertain.
Detection of alkali-silica reaction swelling in concrete by staining
Guthrie, G.D. Jr.; Carey, J.W.
1998-04-14
A method using concentrated aqueous solutions of sodium cobalt nitrite and rhodamine B is described which can be used to identify concrete that contains gels formed by the alkali-silica reaction (ASR). These solutions present little health or environmental risk, are readily applied, and rapidly discriminate between two chemically distinct gels; K-rich, Na-K-Ca-Si gels are identified by yellow staining, and alkali-poor, Ca-Si gels are identified by pink staining.
Orbit Clustering Based on Transfer Cost
NASA Technical Reports Server (NTRS)
Gustafson, Eric D.; Arrieta-Camacho, Juan J.; Petropoulos, Anastassios E.
2013-01-01
We propose using cluster analysis to perform quick screening for combinatorial global optimization problems. The key missing component currently preventing cluster analysis from use in this context is the lack of a useable metric function that defines the cost to transfer between two orbits. We study several proposed metrics and clustering algorithms, including k-means and the expectation maximization algorithm. We also show that proven heuristic methods such as the Q-law can be modified to work with cluster analysis.
High temperature two component explosive
Mars, James E.; Poole, Donald R.; Schmidt, Eckart W.; Wang, Charles
1981-01-01
A two component, high temperature, thermally stable explosive composition comprises a liquid or low melting oxidizer and a liquid or low melting organic fuel. The oxidizer and fuel in admixture are incapable of substantial spontaneous exothermic reaction at temperatures on the order of 475.degree. K. At temperatures on the order of 475.degree. K., the oxidizer and fuel in admixture have an activation energy of at least about 40 kcal/mol. As a result of the high activation energy, the preferred explosive compositions are nondetonable as solids at ambient temperature, and become detonable only when heated beyond the melting point. Preferable oxidizers are selected from alkali or alkaline earth metal nitrates, nitrites, perchlorates, and/or mixtures thereof. Preferred fuels are organic compounds having polar hydrophilic groups. The most preferred fuels are guanidinium nitrate, acetamide and mixtures of the two. Most preferred oxidizers are eutectic mixtures of lithium nitrate, potassium nitrate and sodium nitrate, of sodium nitrite, sodium nitrate and potassium nitrate, and of potassium nitrate, calcium nitrate and sodium nitrate.
Transition properties from the Hermitian formulation of the coupled cluster polarization propagator
NASA Astrophysics Data System (ADS)
Tucholska, Aleksandra M.; Modrzejewski, Marcin; Moszynski, Robert
2014-09-01
Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. Żuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. 70, 1109 (2005)]. Working expressions have been obtained and implemented with the coupled cluster method limited to single, double, and linear triple excitations (CC3). Selected dipole and quadrupole transition probabilities of the alkali earth atoms, computed with the new transition density matrices are compared to the experimental data. Good agreement between theory and experiment is found. The results obtained with the new approach are of the same quality as the results obtained with the linear response coupled cluster theory. The one-electron density matrices for the ground state in the CC3 approximation have also been implemented. The dipole moments for a few representative diatomic molecules have been computed with several variants of the new approach, and the results are discussed to choose the approximation with the best balance between the accuracy and computational efficiency.
Papouskova, Klara; Sychrova, Hana
2006-04-03
The family of Nha antiporters mediating the efflux of alkali metal cations in exchange for protons across the plasma membrane is conserved in all yeast species. Yarrowia lipolytica is a dimorphic yeast, phylogenetically very distant from the model yeast Saccharomyces cerevisiae. A search in its sequenced genome revealed two genes (designated as YlNHA1 and YlNHA2) with homology to the S. cerevisiae NHA1 gene, which encodes a plasma membrane alkali metal cation/H+ antiporter. Upon heterologous expression of both YlNHA genes in S. cerevisiae, we showed that Y. lipolytica antiporters differ not only in length and sequence, but also in their affinity for individual substrates. While the YlNha1 protein mainly increased cell tolerance to potassium, YlNha2p displayed a remarkable transport capacity for sodium. Thus, Y. lipolytica is the first example of a yeast species with two plasma membrane alkali metal cation/H+ antiporters differing in their putative functions in cell physiology; cell detoxification vs. the maintenance of stable intracellular pH, potassium content and cell volume.
Liu, Tongjun; Williams, Daniel L; Pattathil, Sivakumar; Li, Muyang; Hahn, Michael G; Hodge, David B
2014-04-03
A two-stage chemical pretreatment of corn stover is investigated comprising an NaOH pre-extraction followed by an alkaline hydrogen peroxide (AHP) post-treatment. We propose that conventional one-stage AHP pretreatment can be improved using alkaline pre-extraction, which requires significantly less H2O2 and NaOH. To better understand the potential of this approach, this study investigates several components of this process including alkaline pre-extraction, alkaline and alkaline-oxidative post-treatment, fermentation, and the composition of alkali extracts. Mild NaOH pre-extraction of corn stover uses less than 0.1 g NaOH per g corn stover at 80°C. The resulting substrates were highly digestible by cellulolytic enzymes at relatively low enzyme loadings and had a strong susceptibility to drying-induced hydrolysis yield losses. Alkaline pre-extraction was highly selective for lignin removal over xylan removal; xylan removal was relatively minimal (~20%). During alkaline pre-extraction, up to 0.10 g of alkali was consumed per g of corn stover. AHP post-treatment at low oxidant loading (25 mg H2O2 per g pre-extracted biomass) increased glucose hydrolysis yields by 5%, which approached near-theoretical yields. ELISA screening of alkali pre-extraction liquors and the AHP post-treatment liquors demonstrated that xyloglucan and β-glucans likely remained tightly bound in the biomass whereas the majority of the soluble polymeric xylans were glucurono (arabino) xylans and potentially homoxylans. Pectic polysaccharides were depleted in the AHP post-treatment liquor relative to the alkaline pre-extraction liquor. Because the already-low inhibitor content was further decreased in the alkaline pre-extraction, the hydrolysates generated by this two-stage pretreatment were highly fermentable by Saccharomyces cerevisiae strains that were metabolically engineered and evolved for xylose fermentation. This work demonstrates that this two-stage pretreatment process is well suited for converting lignocellulose to fermentable sugars and biofuels, such as ethanol. This approach achieved high enzymatic sugars yields from pretreated corn stover using substantially lower oxidant loadings than have been reported previously in the literature. This pretreatment approach allows for many possible process configurations involving novel alkali recovery approaches and novel uses of alkaline pre-extraction liquors. Further work is required to identify the most economical configuration, including process designs using techno-economic analysis and investigating processing strategies that economize water use.
Cortés-Gutiérrez, Elva I; Dávila-Rodríguez, Martha I; López-Fernández, Carmen; Fernández, José Luis; Crespo, Francisco; Gosálvez, Jaime
2014-01-15
The presence of constitutive alkali-labile sites (ALS) has been investigated using a protocol of DNA breakage detection-fluorescence in situ hybridization and comet assay in spermatozoa of donkey (Equus asinus) and stallion (Equus caballus). These results were compared with those obtained using a similar experimental approach using somatic cells. The relative abundance of ALS was of the order of four times more in spermatozoa than in somatic cells. Alkali-labile sites showed a tendency to cluster localized at the equatorial-distal regions of the sperm. The amount of hybridized signal in the ALS in the sperm of donkey (Equus asinus) was 1.3 times greater than in stallion (Equus caballus), and the length of the comet tail obtained in donkey sperm was 1.6 times longer than that observed in stallion (P < 0.05); however, these differences were not appreciated in somatic cells. In conclusion, ALS localization in sperm is not a randomized event and a different pattern of ALS distribution occurs for each species. These results suggest that ALS represents a species-specific issue related to chromatin organization in sperm and somatic cells in mammalian species, and they might diverge even with very short phylogenetic distances. Copyright © 2014 Elsevier Inc. All rights reserved.
Alkali Metal/Salt Thermal-Energy-Storage Systems
NASA Technical Reports Server (NTRS)
Phillips, Wayne W.; Stearns, John W.
1987-01-01
Proposed thermal-energy-storage system based on mixture of alkali metal and one of its halide salts; metal and salt form slurry of two immiscible melts. Use of slurry expected to prevent incrustations of solidified salts on heat-transfer surfaces that occur where salts alone used. Since incrustations impede heat transfer, system performance improved. In system, charging heat-exchanger surface immersed in lower liquid, rich in halide-salt, phase-charge material. Discharging heat exchanger surface immersed in upper liquid, rich in alkali metal.
Effects of nicotine on corneal wound healing following acute alkali burn.
Kim, Jong Won; Lim, Chae Woong; Kim, Bumseok
2017-01-01
Epidemiological studies have indicated that smoking is a pivotal risk factor for the progression of several chronic diseases. Nicotine, the addictive component of cigarettes, has powerful pathophysiological properties in the body. Although the effects of cigarette smoking on corneal re-epithelialization have been studied, the effects of nicotine on corneal wound healing-related neovascularization and fibrosis have not been fully demonstrated. The aim of this study was to evaluate the effects of chronic administration of nicotine on corneal wound healing following acute insult induced by an alkali burn. BALB/C female mice randomly received either vehicle (2% saccharin) or nicotine (100 or 200 μg/ml in 2% saccharin) in drinking water ad libitum. After 1 week, animals were re-randomized and the experimental group was subjected to a corneal alkali burn, and then nicotine was administered until day 14 after the alkali burn. A corneal alkali burn model was generated by placing a piece of 2 mm-diameter filter paper soaked in 1N NaOH on the right eye. Histopathological analysis and the expression level of the pro-angiogenic genes vascular endothelial growth factor (VEGF) and matrix metalloproteinase-9 (MMP9) revealed that chronic nicotine administration enhanced alkali burn-induced corneal neovascularization. Furthermore, the mRNA expression of the pro-fibrogenic factors α-smooth muscle actin (αSMA), transforming growth factor-β (TGF-β), and collagen α1 (Col1) was enhanced in the high-concentration nicotine-treated group compared with the vehicle group after corneal injury. Immunohistochemical analysis also showed that the αSMA-positive area was increased in chronic nicotine-treated mice after corneal alkali burn. An in vitro assay found that expression of the α3, α7, and β1 nicotinic acetylcholine receptor (nAChR) subunits was significantly increased by chemical injury in human corneal fibroblast cells. Moreover, alkali-induced fibrogenic gene expression and proliferation of fibroblast cells were further increased by treatment with nicotine and cotinine. The proliferation of such cells induced by treatment of nicotine and cotinine was reduced by inhibition of the PI3K and PKC pathways using specific inhibitors. In conclusion, chronic administration of nicotine accelerated the angiogenic and fibrogenic healing processes in alkali-burned corneal tissue.
DOT National Transportation Integrated Search
2013-10-01
"Accurate, reliable, and timely laboratory assessment of concrete mixturesaggregates combined with : cementitious materialsis a critical component in ensuring the durability of concrete infrastructure from the : adverse effects of the alkali-si...
Analysis of the mutations induced by conazole fungicides in vivo.
Ross, Jeffrey A; Leavitt, Sharon A
2010-05-01
The mouse liver tumorigenic conazole fungicides triadimefon and propiconazole have previously been shown to be in vivo mouse liver mutagens in the Big Blue transgenic mutation assay when administered in feed at tumorigenic doses, whereas the non-tumorigenic conazole myclobutanil was not mutagenic. DNA sequencing of the mutants recovered from each treatment group as well as from animals receiving control diet was conducted to gain additional insight into the mode of action by which tumorigenic conazoles induce mutations. Relative dinucleotide mutabilities (RDMs) were calculated for each possible dinucleotide in each treatment group and then examined by multivariate statistical analysis techniques. Unsupervised hierarchical clustering analysis of RDM values segregated two independent control groups together, along with the non-tumorigen myclobutanil. The two tumorigenic conazoles clustered together in a distinct grouping. Partitioning around mediods of RDM values into two clusters also groups the triadimefon and propiconazole together in one cluster and the two control groups and myclobutanil together in a second cluster. Principal component analysis of these results identifies two components that account for 88.3% of the variability in the points. Taken together, these results are consistent with the hypothesis that propiconazole- and triadimefon-induced mutations do not represent clonal expansion of background mutations and support the hypothesis that they arise from the accumulation of reactive electrophilic metabolic intermediates within the liver in vivo.
Wang, Huan; Wu, Zhihai; Han, Jiayu; Zheng, Wei; Yang, Chunwu
2012-01-01
Background Alkali stress is an important agricultural contaminant and has complex effects on plant metabolism. The aim of this study was to investigate whether the alkali stress has different effects on the growth, ion balance, and nitrogen metabolism in old and young leaves of rice plants, and to compare functions of both organs in alkali tolerance. Methodology/Principal Findings The results showed that alkali stress only produced a small effect on the growth of young leaves, whereas strongly damaged old leaves. Rice protected young leaves from ion harm via the large accumulation of Na+ and Cl− in old leaves. The up-regulation of OsHKT1;1, OsAKT1, OsHAK1, OsHAK7, OsHAK10 and OsHAK16 may contribute to the larger accumulation of Na+ in old leaves under alkali stress. Alkali stress mightily reduced the NO3 − contents in both organs. As old leaf cells have larger vacuole, under alkali stress these scarce NO3 − was principally stored in old leaves. Accordingly, the expression of OsNRT1;1 and OsNRT1;2 in old leaves was up-regulated by alkali stress, revealing that the two genes might contribute to the accumulation of NO3 − in old leaves. NO3 − deficiency in young leaves under alkali stress might induce the reduction in OsNR1 expression and the subsequent lacking of NH4 +, which might be main reason for the larger down-regulation of OsFd-GOGAT and OsGS2 in young leaves. Conclusions/Significance Our results strongly indicated that, during adaptation of rice to alkali stress, young and old leaves have distinct mechanisms of ion balance and nitrogen metabolism regulation. We propose that the comparative studies of young and old tissues may be important for abiotic stress tolerance research. PMID:22655071
Improving Cluster Analysis with Automatic Variable Selection Based on Trees
2014-12-01
regression trees Daisy DISsimilAritY PAM partitioning around medoids PMA penalized multivariate analysis SPC sparse principal components UPGMA unweighted...unweighted pair-group average method ( UPGMA ). This method measures dissimilarities between all objects in two clusters and takes the average value
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mirjankar, Nikhil S.; Fraga, Carlos G.; Carman, April J.
Chemical attribution signatures (CAS) for chemical threat agents (CTAs) are being investigated to provide an evidentiary link between CTAs and specific sources to support criminal investigations and prosecutions. In a previous study, anionic impurity profiles developed using high performance ion chromatography (HPIC) were demonstrated as CAS for matching samples from eight potassium cyanide (KCN) stocks to their reported countries of origin. Herein, a larger number of solid KCN stocks (n = 13) and, for the first time, solid sodium cyanide (NaCN) stocks (n = 15) were examined to determine what additional sourcing information can be obtained through anion, carbon stablemore » isotope, and elemental analyses of cyanide stocks by HPIC, isotope ratio mass spectrometry (IRMS), and inductively coupled plasma optical emission spectroscopy (ICP-OES), respectively. The HPIC anion data was evaluated using the variable selection methods of Fisher-ratio (F-ratio), interval partial least squares (iPLS), and genetic algorithm-based partial least squares (GAPLS) and the classification methods of partial least squares discriminate analysis (PLSDA), K nearest neighbors (KNN), and support vector machines discriminate analysis (SVMDA). In summary, hierarchical cluster analysis (HCA) of anion impurity profiles from multiple cyanide stocks from six reported country of origins resulted in cyanide samples clustering into three groups: Czech Republic, Germany, and United States, independent of the associated alkali metal (K or Na). The three country groups were independently corroborated by HCA of cyanide elemental profiles and corresponded to countries with known solid cyanide factories. Both the anion and elemental CAS are believed to originate from the aqueous alkali hydroxides used in cyanide manufacture. Carbon stable isotope measurements resulted in two clusters: Germany and United States (the single Czech stock grouped with United States stocks). The carbon isotope CAS is believed to originate from the carbon source and process used to make the HCN utilized in cyanide synthesis. Classification errors for two validation studies using anion impurity profiles collected over five years on different instruments were as low as zero for KNN and SVMDA, demonstrating the excellent reliability (so far) of using anion impurities for matching a cyanide sample to its country of manufacture (i.e., factory). Variable selection reduced errors for those classification methods having errors greater than zero with iPLS-forward selection, and F-ratio typically providing the lowest errors. Finally, using anion profiles to match cyanides to a specific stock or stock group resulted in cross-validation errors ranging from zero to 5.3%.« less
Minor and Trace Element Chemistry of Urban NS-Soot from the Central Valley of CA, USA
NASA Astrophysics Data System (ADS)
Kleich, S. J.; Hooper, R.
2017-12-01
During a recent study of metal transport in the Central Valley of California, it was noted that ns-soot (soot) occurred as complex clusters of graphene-like spheres admixed with other aerosols and were usually the dominant component of PM2.5 air particulates. These soot clusters contained a wide variety of metals of environmental concern such as As,Pb,Cr, and Ni. This study reports semi-quantitative results for 20 minor and trace elements (calibrated with Smithsonian microbeam standards) using a 200kV Transmission Electron Microscope, EDS, and SAED. This study also examined the mineralogy and crystallinity of admixed aerosols within composite soot clusters. Samples selected represent three contrasting urban settings in the Central Valley: Woodland, on the western side of the valley (Interstate highway to the east); Stockton, an inland sea-port and land transportation corridor in the center of the valley; and Roseville, a major rail-transport hub to the east. The wet/dry Mediterranean climate of California resulted in pronounced seasonal variations in total metal content. Soot cluster chemistry is highly variable however certain patterns emerged. Soot collected during the wet season is generally more aciniform, less structurally complex, and had lower sulfur (sulfate) concentrations but still had significant levels of transition metals (V,Cr,Mn,Fe,Ni,Zn and Pb) . Dry season soot was predominantly admixed with sulfate aerosols, and enriched in alkalis and alkaline earth metals. Stockton (wet-season) soot had up to 6000ppm of Pb. There is appreciable Pb (210ppm-2600ppm) in 38% of samples from Roseville but no Pb greater than 200ppm in Woodland. The highest overall total metals were found in Roseville soot with appreciable As(670ppm), V(100ppm), Pb(2600ppm), Zn(4000 ppm), Cr(90ppm), and Ni(300ppm). Heavy transport (road/rail/port) correlates with higher metal contents regardless of climate.
NASA Astrophysics Data System (ADS)
Annunziatella, M.; Bonamigo, M.; Grillo, C.; Mercurio, A.; Rosati, P.; Caminha, G.; Biviano, A.; Girardi, M.; Gobat, R.; Lombardi, M.; Munari, E.
2017-12-01
We present a high-resolution dissection of the two-dimensional total mass distribution in the core of the Hubble Frontier Fields galaxy cluster MACS J0416.1‑2403, at z = 0.396. We exploit HST/WFC3 near-IR (F160W) imaging, VLT/Multi Unit Spectroscopic Explorer spectroscopy, and Chandra data to separate the stellar, hot gas, and dark-matter mass components in the inner 300 kpc of the cluster. We combine the recent results of our refined strong lensing analysis, which includes the contribution of the intracluster gas, with the modeling of the surface brightness and stellar mass distributions of 193 cluster members, of which 144 are spectroscopically confirmed. We find that, moving from 10 to 300 kpc from the cluster center, the stellar to total mass fraction decreases from 12% to 1% and the hot gas to total mass fraction increases from 3% to 9%, resulting in a baryon fraction of approximatively 10% at the outermost radius. We measure that the stellar component represents ∼30%, near the cluster center, and 15%, at larger clustercentric distances, of the total mass in the cluster substructures. We subtract the baryonic mass component from the total mass distribution and conclude that within 30 kpc (∼3 times the effective radius of the brightest cluster galaxy) from the cluster center the surface mass density profile of the total mass and global (cluster plus substructures) dark-matter are steeper and that of the diffuse (cluster) dark-matter is shallower than an NFW profile. Our current analysis does not point to a significant offset between the cluster stellar and dark-matter components. This detailed and robust reconstruction of the inner dark-matter distribution in a larger sample of galaxy clusters will set a new benchmark for different structure formation scenarios.
CLUSTERnGO: a user-defined modelling platform for two-stage clustering of time-series data.
Fidaner, Işık Barış; Cankorur-Cetinkaya, Ayca; Dikicioglu, Duygu; Kirdar, Betul; Cemgil, Ali Taylan; Oliver, Stephen G
2016-02-01
Simple bioinformatic tools are frequently used to analyse time-series datasets regardless of their ability to deal with transient phenomena, limiting the meaningful information that may be extracted from them. This situation requires the development and exploitation of tailor-made, easy-to-use and flexible tools designed specifically for the analysis of time-series datasets. We present a novel statistical application called CLUSTERnGO, which uses a model-based clustering algorithm that fulfils this need. This algorithm involves two components of operation. Component 1 constructs a Bayesian non-parametric model (Infinite Mixture of Piecewise Linear Sequences) and Component 2, which applies a novel clustering methodology (Two-Stage Clustering). The software can also assign biological meaning to the identified clusters using an appropriate ontology. It applies multiple hypothesis testing to report the significance of these enrichments. The algorithm has a four-phase pipeline. The application can be executed using either command-line tools or a user-friendly Graphical User Interface. The latter has been developed to address the needs of both specialist and non-specialist users. We use three diverse test cases to demonstrate the flexibility of the proposed strategy. In all cases, CLUSTERnGO not only outperformed existing algorithms in assigning unique GO term enrichments to the identified clusters, but also revealed novel insights regarding the biological systems examined, which were not uncovered in the original publications. The C++ and QT source codes, the GUI applications for Windows, OS X and Linux operating systems and user manual are freely available for download under the GNU GPL v3 license at http://www.cmpe.boun.edu.tr/content/CnG. sgo24@cam.ac.uk Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press.
Assessment of the Alteration of Granitic Rocks and its Influence on Alkalis Release
NASA Astrophysics Data System (ADS)
Ferraz, Ana Rita; Fernandes, Isabel; Soares, Dora; Santos Silva, António; Quinta-Ferreira, Mário
2017-12-01
Several concrete structures had shown signs of degradation some years after construction due to internal expansive reactions. Among these reactions there are the alkali-aggregate reactions (AAR) that occur between the aggregates and the concrete interstitial fluids which can be divided in two types: the alkali-silica reaction (ASR) and alkali-carbonate reaction (ACR). The more common is the ASR which occurs when certain types of reactive silica are present in the aggregates. In consequence, an expansive alkali-silica gel is formed leading to the concrete cracking and degradation. Granites are rocks composed essentially of quartz, micas and feldspars, the latter being the minerals which contain more alkalis in their structure and thus, able to release them in conditions of high alkalinity. Although these aggregates are of slow reaction, some structures where they were applied show evidence of deterioration due to ASR some years or decades after the construction. In the present work, the possible contribution of granitic aggregates to the interstitial fluids of concrete by alkalis release was studied by performing chemical attack with NaOH and KOH solutions. Due to the heterogeneity of the quarries in what concerns the degree of alteration and/or fracturing, rock samples with different alteration were analysed. The alteration degree was characterized both under optical microscope and image analysis and compared with the results obtained from the chemical tests. It was concluded that natural alteration reduces dramatically the releasable alkalis available in the rocks.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Caruso, Francesco; Bellacicca, Andrea; Milani, Paolo, E-mail: pmilani@mi.infn.it
We report the rapid prototyping of passive electrical components (resistors and capacitors) on plain paper by an additive and parallel technology consisting of supersonic cluster beam deposition (SCBD) coupled with shadow mask printing. Cluster-assembled films have a growth mechanism substantially different from that of atom-assembled ones providing the possibility of a fine tuning of their electrical conduction properties around the percolative conduction threshold. Exploiting the precise control on cluster beam intensity and shape typical of SCBD, we produced, in a one-step process, batches of resistors with resistance values spanning a range of two orders of magnitude. Parallel plate capacitors withmore » paper as the dielectric medium were also produced with capacitance in the range of tens of picofarads. Compared to standard deposition technologies, SCBD allows for a very efficient use of raw materials and the rapid production of components with different shape and dimensions while controlling independently the electrical characteristics. Discrete electrical components produced by SCBD are very robust against deformation and bending, and they can be easily assembled to build circuits with desired characteristics. The availability of large batches of these components enables the rapid and cheap prototyping and integration of electrical components on paper as building blocks of more complex systems.« less
Clustering by reordering of similarity and Laplacian matrices: Application to galaxy clusters
NASA Astrophysics Data System (ADS)
Mahmoud, E.; Shoukry, A.; Takey, A.
2018-04-01
Similarity metrics, kernels and similarity-based algorithms have gained much attention due to their increasing applications in information retrieval, data mining, pattern recognition and machine learning. Similarity Graphs are often adopted as the underlying representation of similarity matrices and are at the origin of known clustering algorithms such as spectral clustering. Similarity matrices offer the advantage of working in object-object (two-dimensional) space where visualization of clusters similarities is available instead of object-features (multi-dimensional) space. In this paper, sparse ɛ-similarity graphs are constructed and decomposed into strong components using appropriate methods such as Dulmage-Mendelsohn permutation (DMperm) and/or Reverse Cuthill-McKee (RCM) algorithms. The obtained strong components correspond to groups (clusters) in the input (feature) space. Parameter ɛi is estimated locally, at each data point i from a corresponding narrow range of the number of nearest neighbors. Although more advanced clustering techniques are available, our method has the advantages of simplicity, better complexity and direct visualization of the clusters similarities in a two-dimensional space. Also, no prior information about the number of clusters is needed. We conducted our experiments on two and three dimensional, low and high-sized synthetic datasets as well as on an astronomical real-dataset. The results are verified graphically and analyzed using gap statistics over a range of neighbors to verify the robustness of the algorithm and the stability of the results. Combining the proposed algorithm with gap statistics provides a promising tool for solving clustering problems. An astronomical application is conducted for confirming the existence of 45 galaxy clusters around the X-ray positions of galaxy clusters in the redshift range [0.1..0.8]. We re-estimate the photometric redshifts of the identified galaxy clusters and obtain acceptable values compared to published spectroscopic redshifts with a 0.029 standard deviation of their differences.
Optical potential from first principles
Rotureau, J.; Danielewicz, P.; Hagen, G.; ...
2017-02-15
Here, we develop a method to construct a microscopic optical potential from chiral interactions for nucleon-nucleus scattering. The optical potential is constructed by combining the Green’s function approach with the coupled-cluster method. To deal with the poles of the Green’s function along the real energy axis we employ a Berggren basis in the complex energy plane combined with the Lanczos method. Using this approach, we perform a proof-of-principle calculation of the optical potential for the elastic neutron scattering on 16O. For the computation of the ground-state of 16O, we use the coupled-cluster method in the singles-and-doubles approximation, while for themore » A ±1 nuclei we use particle-attached/removed equation-of-motion method truncated at two-particle-one-hole and one-particle-two-hole excitations, respectively. We verify the convergence of the optical potential and scattering phase shifts with respect to the model-space size and the number of discretized complex continuum states. We also investigate the absorptive component of the optical potential (which reflects the opening of inelastic channels) by computing its imaginary volume integral and find an almost negligible absorptive component at low-energies. To shed light on this result, we computed excited states of 16O using equation-of-motion coupled-cluster method with singles-and- doubles excitations and we found no low-lying excited states below 10 MeV. Furthermore, most excited states have a dominant two-particle-two-hole component, making higher-order particle-hole excitations necessary to achieve a precise description of these core-excited states. We conclude that the reduced absorption at low-energies can be attributed to the lack of correlations coming from the low-order cluster truncation in the employed coupled-cluster method.« less
Ethnic variation in melanin content and composition in photoexposed and photoprotected human skin.
Alaluf, Simon; Atkins, Derek; Barrett, Karen; Blount, Margaret; Carter, Nik; Heath, Alan
2002-04-01
We have examined the quantity and composition of melanin in both photoprotected (volar upper arm) and chronically photoexposed (dorsal forearm) skin from a range of different ethnic skin types including African, Indian, Mexican, Chinese and European. The most lightly pigmented (European, Chinese and Mexican) skin types have approximately half as much epidermal melanin as the most darkly pigmented (African and Indian) skin types. However, the composition of melanin in these lighter skin types is comparatively more enriched with lightly coloured, alkali-soluble melanin components (up to three-fold). Regardless of ethnicity, epidermal melanin content is significantly greater in chronically photoexposed skin than it is in corresponding photoprotected skin (up to two-fold). However, by comparison there is only a modest enrichment of lightly coloured, alkali soluble melanin components in photoprotected skin (up to 1.3-fold). Analysis of melanosomes extracted from the epidermis in these subjects indicates that the proportion of spheroidal melanosomes is low in all skin types examined (<10%). This suggests that in human skin, pheomelanin is a very minor component of epidermal melanin, even in the lightest (European) skin types. Analysis of melanosome size revealed a significant and progressive variation in size with ethnicity: African skin having the largest melanosomes followed in turn by Indian, Mexican, Chinese and European. On the basis of these findings, we propose that variation in skin pigmentation is strongly influenced by both the amount and the composition (or colour) of the melanin in the epidermis. Variation in melanosome size may also play a significant role. However, the data also suggest that in human skin there are subtle differences in the mechanisms associated with the maintenance of constitutive pigmentation and facultative hyperpigmentation, respectively.
Ion conducting fluoropolymer carbonates for alkali metal ion batteries
DeSimone, Joseph M.; Pandya, Ashish; Wong, Dominica; Balsara, Nitash P.; Thelen, Jacob; Devaux, Didier
2017-09-05
Liquid or solid electrolyte compositions are described that comprise a homogeneous solvent system and an alkali metal salt dissolved in said solvent system. The solvent system may comprise a fluoropolymer, having one or two terminal carbonate groups covalently coupled thereto. Batteries containing such electrolyte compositions are also described.
Saliu, Bolanle Kudirat; Sani, Alhassan
2012-01-01
Corn cob is a major component of agricultural and domestic waste in many parts of the world. It is composed mainly of cellulose which can be converted to energy in form of bioethanol as an efficient and effective means of waste management. Production of cellulolytic enzymes were induced in the fungi Aspergillus niger and Penicillium decumbens by growing them in mineral salt medium containing alkali pre-treated and untreated corn cobs. The cellulases were characterized and partially purified. Alkali pre-treated corn cobs were hydrolysed with the partially purified cellulases and the product of hydrolysis was fermented using the yeast saccharomyces cerevisae to ethanol. Cellulases of A. niger produced higher endoglucanase and exoglucanase activity (0.1698 IU ml(-1) and 0.0461 FPU ml(-1)) compared to that produced by P. decumbens (0.1111 IU ml(-1) and 0.153 FPU ml(-1)). Alkali pre-treated corn cob hydrolysed by cellulases of A. niger yielded 7.63 mg ml(-1) sugar which produced 2.67 % (v/v) ethanol on fermentation. Ethanol yield of the hydrolysates of corn cob by cellulases of P. decumbens was much lower at 0.56 % (v/v). Alkali pre-treated corn cob, hydrolysed with cellulases of A. niger is established as suitable feedstock for bioethanol production.
NASA Astrophysics Data System (ADS)
Ito, S.; Feng, B.; Arita, M.; Someya, T.; Chen, W.-C.; Takayama, A.; Iimori, T.; Namatame, H.; Taniguchi, M.; Cheng, C.-M.; Tang, S.-J.; Komori, F.; Matsuda, I.
2018-04-01
Alkali-metal adsorption on the surface of materials is widely used for in situ surface electron doping, particularly for observing unoccupied band structures by angle-resolved photoemission spectroscopy (ARPES). However, the effects of alkali-metal atoms on the resulting band structures have yet to be fully investigated, owing to difficulties in both experiments and calculations. Here, we combine ARPES measurements on cesium-adsorbed ultrathin bismuth films with first-principles calculations of the electronic charge densities and demonstrate a simple method to evaluate alkali-metal induced band deformation. We reveal that deformation of bismuth surface bands is directly correlated with vertical charge-density profiles at each electronic state of bismuth. In contrast, a change in the quantized bulk bands is well described by a conventional rigid-band-shift picture. We discuss these two aspects of the band deformation holistically, considering spatial distributions of the electronic states and cesium-bismuth hybridization, and provide a prescription for applying alkali-metal adsorption to a wide range of materials.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gordon, John Howard; Alvare, Javier
A reactor has two chambers, namely an oil feedstock chamber and a source chamber. An ion separator separates the oil feedstock chamber from the source chamber, wherein the ion separator allows alkali metal ions to pass from the source chamber, through the ion separator, and into the oil feedstock chamber. A cathode is at least partially housed within the oil feedstock chamber and an anode is at least partially housed within the source chamber. A quantity of an oil feedstock is within the oil feedstock chamber, the oil feedstock comprising at least one carbon atom and a heteroatom and/or onemore » or more heavy metals, the oil feedstock further comprising naphthenic acid. When the alkali metal ion enters the oil feedstock chamber, the alkali metal reacts with the heteroatom, the heavy metals and/or the naphthenic acid, wherein the reaction with the alkali metal forms inorganic products.« less
Wolf, Antje; Kirschner, Karl N
2013-02-01
With improvements in computer speed and algorithm efficiency, MD simulations are sampling larger amounts of molecular and biomolecular conformations. Being able to qualitatively and quantitatively sift these conformations into meaningful groups is a difficult and important task, especially when considering the structure-activity paradigm. Here we present a study that combines two popular techniques, principal component (PC) analysis and clustering, for revealing major conformational changes that occur in molecular dynamics (MD) simulations. Specifically, we explored how clustering different PC subspaces effects the resulting clusters versus clustering the complete trajectory data. As a case example, we used the trajectory data from an explicitly solvated simulation of a bacteria's L11·23S ribosomal subdomain, which is a target of thiopeptide antibiotics. Clustering was performed, using K-means and average-linkage algorithms, on data involving the first two to the first five PC subspace dimensions. For the average-linkage algorithm we found that data-point membership, cluster shape, and cluster size depended on the selected PC subspace data. In contrast, K-means provided very consistent results regardless of the selected subspace. Since we present results on a single model system, generalization concerning the clustering of different PC subspaces of other molecular systems is currently premature. However, our hope is that this study illustrates a) the complexities in selecting the appropriate clustering algorithm, b) the complexities in interpreting and validating their results, and c) by combining PC analysis with subsequent clustering valuable dynamic and conformational information can be obtained.
NASA Astrophysics Data System (ADS)
Asrah, Hidayati; Mirasa, Abdul Karim; Bolong, Nurmin
2018-02-01
This study investigated the mechanism of how POFA mitigated the ASR expansion. Two types of POFA; the UPOFA and GPOFA with different fineness were used to replace the cement at 20% and 40% and their effects on the mortar bar expansion, calcium hydroxide, alkali dilution, and calcium concentration were investigated. The results showed that UPOFA has a significant ability to mitigate the ASR, even at a lower level of replacement (20%) compared to GPOFA. The mechanism of UPOFA in mitigating the ASR expansion was through a reduction in the calcium hydroxide content, which produced low calcium concentration within the mortar pore solution. Low pore solution alkalinity signified that UPOFA had good alkali dilution effect. Meanwhile, a higher dosage of GPOFA was required to mitigate the ASR expansion. An increase in the pore solution alkalinity of GPOFA mortar indicated higher penetration of alkalis from the NaOH solution, which reduced the alkali dilution effect. However, this was compensated by the increase in the cement dilution effect at higher GPOFA replacement, which controlled the mortar bar expansion below the ASTM limit.
Electrical properties of alkali-activated slag composite with combined graphite/CNT filler
NASA Astrophysics Data System (ADS)
Rovnaník, P.; Míková, M.; Kusák, I.
2017-10-01
Alkali-activated industrial by-products such as blast furnace slag are known to possess properties which are comparable to or even better than those observed for ordinary Portland cement. The combination of alkali-activated slag matrix with conductive filler introduces new functionalities which are commonly known for self-sensing or self-heating concrete. The present paper discusses the effect of the mixture of two different conductive fillers, graphite powder and carbon nanotubes (CNTs), on the electrical properties of alkali-activated slag mortars. Prepared samples were also tested for their mechanical properties and microstructure was investigated by means of mercury intrusion porosimetry and scanning electron microscopy. The percolation threshold for the resistance was reached for the mixture containing 0.1% CNTs and 8% graphite powder.
NASA Technical Reports Server (NTRS)
Yakshinskiy, B. V.; Madey, T. E.
2003-01-01
We report recent results on an investigation of source mechanisms for the origin of alkali atoms in the tenuous planetary atmospheres, with focus on non-thermal processes (photon stimulated desorption (PSD), electron stimulated desorption (ESD), and ion sputtering). Whereas alkaline earth oxides (MgO, CaO) are far more abundant in lunar samples than alkali oxides (Na2O, K2O), the atmosphere of the Moon contains easily measurable concentrations of Na and K, while Ca and Mg are undetected there; traces of Ca have recently been seen in the Moon's atmosphere (10-3 of Na). The experiments have included ESD, PSD and ion sputtering of alkali atoms from model mineral surface (amorphous SiO2) and from a lunar basalt sample obtained from NASA. The comparison is made between ESD and PSD efficiency of monovalent alkalis (Na, K) and divalent alkaline earths (Ba, Ca).The ultrahigh vacuum measurement scheme for ESD and PSD of Na atoms includes a highly sensitive alkali metal detector based on surface ionization, and a time-of-flight technique. For PSD measurements, a mercury arc light source (filtered and chopped) is used. We find that bombardment of the alkali covered surfaces by ultraviolet photons or by low energy electrons (E>4 eV) causes desorption of hot alkali atoms. This results are consistent with the model developed to explain our previous measurements of sodium desorption from a silica surface and from water ice: electron- or photon-induced charge transfer from the substrate to the ionic adsorbate causes formation of a neutral alkali atom in a repulsive configuration, from which desorption occurs. The two-electron charge transfer to cause desorption of divalent alkaline eath ions is a less likely process.The data support the suggestion that PSD by UV solar photons is a dominant source process for alkalis in the tenuous lunar atmosphere.
Chen, Jing; Yang, Huan; Wang, Jing; Cheng, Shi-Bo
2018-05-30
We present an extensive density functional theory (DFT) calculations on the geometrical and electronic structures of the triatomic LaX 2 - (X=Al, Ga, In) clusters. Various trail structures and spin states have been attempted to determine the lowest-energy geometries of these La-doped metal clusters. The ground states of all three clusters are calculated to possess the trigonal structures with the singlet multiplicities. The calculations on molecular orbitals (MOs) and nucleus-independent chemical shift (NICS) values have been performed to examine the aromatic characteristics of the LaX 2 - (X=Al, Ga, In) clusters. The present calculations disclose that all these metal clusters are doubly aromatic, namely d-p hybridized σ and π aromaticity resulting from the effective overlap between the 5d atomic orbital of the La atom and the p orbitals of the IIIA group elements. Theoretical vertical detachment energies (VDEs) were also calculated to simulate the photoelectron spectra (PES) of the clusters. In addition, by adding the alkali cations (Li + and Na + ) into the LaX 2 - (X=Al, Ga, In) clusters, the geometries and electronic structures of the corresponding neutral salts have also been investigated to gain more insights in the potential of using these aromatic anions as building blocks. Copyright © 2018 Elsevier B.V. All rights reserved.
NASA Astrophysics Data System (ADS)
Gao, S.; Takahashi, E.; Matsukage, K. N.; Suzuki, T.; Kimura, J. I.
2015-12-01
It is believed that magma genesis of OIB is largely influenced by recycled oceanic crust component involved in the mantle plume (e.g., Hauri et al., 1996; Takahashi & Nakajima., 2002; Sobolev et al., 2007). Mallik & Dasgupta (2012) reported that the wall-rock reaction in MORB-eclogite and peridotite layered experiments produced a spectrum of tholeiitic to alkalic melts. However, the proper eclogite source composition is still under dispute. In order to figure out the geochemistry of recycled component as well as their melting process, we conducted a series of high-P, high-T experiments. Melting experiments (1~10hrs) were performed under 2.9GPa with Boyd-England type piston-cylinder (1460~1540°C for dry experiments, 1400~1500°C for hydrous experiments) and 5GPa with Kawai-type multi-anvil (1550~1650°C for dry experiments, 1350~1550°C for hydrous experiments), at the Magma Factory, Tokyo Tech. Spinel lherzolite KLB-1 (Takahashi 1986) was employed as peridotite component. Two basalts were used as recycled component: Fe-enriched Columbia River basalt (CRB72-180, Takahashi et al., 1998) and N-type MORB (NAM-7, Yasuda et al., 1994). In dry experiments below peridotite dry solidus, melt compositions ranged from basaltic andesite to tholeiite. Opx reaction band generated between basalt and peridotite layer hindered chemical reaction. On the other hand, alkali basalt was formed in hydrous run products because H2O promoted melting process in both layers. Compared with melts formed by N-MORB-peridotite runs, those layered experiments with CRB are enriched in FeO, TiO2, K2O and light REE at given MgO. In other words, melts produced by CRB-peridotite layered experiments are close to alkali basalts in OIB and tholeiite in Hawaii, while those by layered experiments with N-MORB are poor in above elements. Thus we propose that Fe-rich Archean or Proterozoic tholeiite (BVSP 1980) would be a possible candidate for recycled component in OIB source.
Polymorphism in alkali metal uranyl nitrates: Synthesis and crystal structure of gamma-K(UO2)(NO3)3
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jouffret, Laurent J.; Krivovichev, Sergey V.; Burns, Peter C.
2011-07-20
Single crystals of γ-K(UO₂)(NO₃)₃ were prepared from aqueous solutions by evaporation. The crystal structure [orthorhombic, Pbca (61), a = 9.2559(3) Å, b = 12.1753(3) Å, c = 15.8076(5) Å, V = 1781.41(9) ų, Z = 8] was determined by direct methods and refined to R₁ = 0.0267 on the basis of 3657 unique observed reflections. The structure is composed of isolated anionic uranyl trinitrate units, [(UO₂)(NO₃)₃] –, that are linked through eleven-coordinated K + cations. Both known polymorphs of K(UO₂)(NO₃)₃ (α- and γ-phases) can be considered as based upon sheets of isolated complex [(UO₂)(NO₃)₃] – ions separated by K +more » cations. The existence of polymorphism in the two K[UO₂(NO₃)₃] polymorphs is due to the different packing modes of uranyl trinitrate clusters that adopt the same two-dimensional but different three-dimensional arrangements.« less
Burchett, John; Shankar, Mohan; Hamza, A Ben; Guenther, Bob D; Pitsianis, Nikos; Brady, David J
2006-05-01
We use pyroelectric detectors that are differential in nature to detect motion in humans by their heat emissions. Coded Fresnel lens arrays create boundaries that help to localize humans in space as well as to classify the nature of their motion. We design and implement a low-cost biometric tracking system by using off-the-shelf components. We demonstrate two classification methods by using data gathered from sensor clusters of dual-element pyroelectric detectors with coded Fresnel lens arrays. We propose two algorithms for person identification, a more generalized spectral clustering method and a more rigorous example that uses principal component regression to perform a blind classification.
1990-12-01
3,4]. This work allowed us to view the ultrashort ( - 100 fs) pulses . While this laser was being temporal characteristics of the absorption spectrum...regions of high intensity in single water drop- lets (a = 60 Ant) following excita- tion by a single 7-ns, 532-nn laser pulse . Resonant 532-nm laser ...electronic properties of cluster ions of ion beam and the laser pulse , any desired mass range for simple metals (alkali metals). Our earlier efforts
Formation of the young compact cluster GM 24 triggered by a cloud-cloud collision
NASA Astrophysics Data System (ADS)
Fukui, Yasuo; Kohno, Mikito; Yokoyama, Keiko; Nishimura, Atsushi; Torii, Kazufumi; Hattori, Yusuke; Sano, Hidetoshi; Ohama, Akio; Yamamoto, Hiroaki; Tachihara, Kengo
2018-05-01
High-mass star formation is an important step which controls galactic evolution. GM 24 is a heavily obscured star cluster including a single O9 star with more than ˜100 lower-mass stars within a 0.3 pc radius toward (l, b) ˜ (350.5°, 0.96°), close to the Galactic mini-starburst NGC 6334. We found two velocity components associated with the cluster by new observations of 12CO J =2-1 emission, whereas the cloud was previously considered to be single. We found that the distribution of the two components of 5 {km}s-1 separation shows complementary distribution; the two fit well with each other if a relative displacement of 3 pc is applied along the Galactic plane. A position-velocity diagram of the GM 24 cloud is explained by a model based on numerical simulations of two colliding clouds, where an intermediate velocity component created by the collision is taken into account. We estimate the collision time scale to be ˜Myr in projection of a relative motion tilted to the line of sight by 45°. The results lend further support for cloud-cloud collision as an important mechanism of high-mass star formation in the Carina-Sagittarius Arm.
Techno-economical evaluation of protein extraction for microalgae biorefinery
NASA Astrophysics Data System (ADS)
Sari, Y. W.; Sanders, J. P. M.; Bruins, M. E.
2016-01-01
Due to scarcity of fossil feedstocks, there is an increasing demand for biobased fuels. Microalgae are considered as promising biobased feedstocks. However, microalgae based fuels are not yet produced at large scale at present. Applying biorefinery, not only for oil, but also for other components, such as carbohydrates and protein, may lead to the sustainable and economical microalgae-based fuels. This paper discusses two relatively mild conditions for microalgal protein extraction, based on alkali and enzymes. Green microalgae (Chlorella fusca) with and without prior lipid removal were used as feedstocks. Under mild conditions, more protein could be extracted using proteases, with the highest yields for microalgae meal (without lipids). The data on protein extraction yields were used to calculate the costs for producing 1 ton of microalgal protein. The processing cost for the alkaline method was € 2448 /ton protein. Enzymatic method performed better from an economic point of view with € 1367 /ton protein on processing costs. However, this is still far from industrially feasible. For both extraction methods, biomass cost per ton of produced product were high. A higher protein extraction yield can partially solve this problem, lowering processing cost to €620 and 1180 /ton protein product, using alkali and enzyme, respectively. Although alkaline method has lower processing cost, optimization appears to be better achievable using enzymes. If the enzymatic method can be optimized by lowering the amount of alkali added, leading to processing cost of € 633/ton protein product. Higher revenue can be generated when the residue after protein extraction can be sold as fuel, or better as a highly digestible feed for cattle.
Metal Transport across Biomembranes: Emerging Models for a Distinct Chemistry*
Argüello, José M.; Raimunda, Daniel; González-Guerrero, Manuel
2012-01-01
Transition metals are essential components of important biomolecules, and their homeostasis is central to many life processes. Transmembrane transporters are key elements controlling the distribution of metals in various compartments. However, due to their chemical properties, transition elements require transporters with different structural-functional characteristics from those of alkali and alkali earth ions. Emerging structural information and functional studies have revealed distinctive features of metal transport. Among these are the relevance of multifaceted events involving metal transfer among participating proteins, the importance of coordination geometry at transmembrane transport sites, and the presence of the largely irreversible steps associated with vectorial transport. Here, we discuss how these characteristics shape novel transition metal ion transport models. PMID:22389499
Metal transport across biomembranes: emerging models for a distinct chemistry.
Argüello, José M; Raimunda, Daniel; González-Guerrero, Manuel
2012-04-20
Transition metals are essential components of important biomolecules, and their homeostasis is central to many life processes. Transmembrane transporters are key elements controlling the distribution of metals in various compartments. However, due to their chemical properties, transition elements require transporters with different structural-functional characteristics from those of alkali and alkali earth ions. Emerging structural information and functional studies have revealed distinctive features of metal transport. Among these are the relevance of multifaceted events involving metal transfer among participating proteins, the importance of coordination geometry at transmembrane transport sites, and the presence of the largely irreversible steps associated with vectorial transport. Here, we discuss how these characteristics shape novel transition metal ion transport models.
Electric dipole moments and chemical bonding of diatomic alkali-alkaline earth molecules.
Pototschnig, Johann V; Hauser, Andreas W; Ernst, Wolfgang E
2016-02-17
We investigate the properties of alkali-alkaline earth diatomic molecules in the lowest Σ(+) states of the doublet and quartet multiplicity by ab initio calculations. In all sixteen cases studied, the permanent electric dipole moment points in opposite directions for the two spin states. This peculiarity can be explained by molecular orbital theory. We further discuss dissociation energies and bond distances. We analyze trends and provide an empirically motivated model for the prediction of the permanent electric dipole moment for combinations of alkali and alkaline earth atoms not studied in this work.
Alkali metal intercalated fullerene-like MS(2) (M = W, Mo) nanoparticles and their properties.
Zak, Alla; Feldman, Yishay; Lyakhovitskaya, Vera; Leitus, Gregory; Popovitz-Biro, Ronit; Wachtel, Ellen; Cohen, Hagai; Reich, Shimon; Tenne, Reshef
2002-05-01
Layered metal disulfides-MS(2) (M = Mo, W) in the form of fullerene-like nanoparticles and in the form of platelets (crystallites of the 2H polytype) have been intercalated by exposure to alkali metal (potassium and sodium) vapor using a two-zone transport method. The composition of the intercalated systems was established using X-ray energy dispersive spectrometer and X-ray photoelectron spectroscopy (XPS). The alkali metal concentration in the host lattice was found to depend on the kind of sample and the experimental conditions. Furthermore, an inhomogeneity of the intercalated samples was observed. The product consisted of both nonintercalated and intercalated phases. X-ray diffraction analysis and transmission electron microscopy of the samples, which were not exposed to the ambient atmosphere, showed that they suffered little change in their lattice parameters. On the other hand, after exposure to ambient atmosphere, substantial increase in the interplanar spacing (3-5 A) was observed for the intercalated phases. Insertion of one to two water molecules per intercalated metal atom was suggested as a possible explanation for this large expansion along the c-axis. Deintercalation of the hydrated alkali atoms and restacking of the MS(2) layers was observed in all the samples after prolonged exposure to the atmosphere. Electric field induced deintercalation of the alkali metal atoms from the host lattice was also observed by means of the XPS technique. Magnetic moment measurements for all the samples indicate a diamagnetic to paramagnetic transition after intercalation. Measurements of the transport properties reveal a semiconductor to metal transition for the heavily K intercalated 2H-MoS(2). Other samples show several orders of magnitude decrease in resistivity and two- to five-fold decrease in activation energies upon intercalation. These modifications are believed to occur via charge transfer from the alkali metal to the conduction band of the host lattice. Recovery of the pristine compound properties (diamagnetism and semiconductivity) was observed as a result of deintercalation.
Antioxidant and immunoregulatory activity of alkali-extractable polysaccharides from mung bean.
Yao, Yang; Zhu, Yingying; Ren, Guixing
2016-03-01
Alkali-extractable polysaccharides from the seeds of mung beans and two polysaccharide sub-fractions (MAP-1 and MAP-2) were isolated and purified by anion-exchange and gel filtration chromatography. The average molecular weights (Mws) of MAP-1 and MAP-2 were 94.2 kDa and 60.4 kDa, respectively. Monosaccharide component analysis indicated that MAP-1 was composed of Rha, Ara, Glu, Gal, and GalA in a molar ratio of 1.1:0.4:0.7:0.5:0.3. MAP-2 consisted of Xyl, Rha, Gal, Glu and GalA with a relative molar ratio of 0.4:1.4:1.6:0.5:0.2. Antioxidant assays indicated that both MAP-1 and MAP-2 exhibit significant antioxidant activity in a dose-dependent manner. An in vitro study further showed that MAP-1 and MAP-2 were both able to stimulate the production of secretory molecules (NO, TNF-α and IL-6) by RAW 264.7 murine macrophages in a concentration-dependent manner. These findings suggest that the polysaccharides isolated in our study have immunoregulatory effects on macrophages and can be used as a beneficial health food. Copyright © 2015. Published by Elsevier B.V.
Liang, Yuting; Zhao, Huihui; Zhang, Xu; Zhou, Jizhong; Li, Guanghe
2014-07-15
To compare the functional gene structure and diversity of microbial communities in saline-alkali and slightly acidic oil-contaminated sites, 40 soil samples were collected from two typical oil exploration sites in North and South China and analyzed with a comprehensive functional gene array (GeoChip 3.0). The overall microbial pattern was significantly different between the two sites, and a more divergent pattern was observed in slightly acidic soils. Response ratio was calculated to compare the microbial functional genes involved in organic contaminant degradation and carbon, nitrogen, phosphorus, and sulfur cycling. The results indicated a significantly low abundance of most genes involved in organic contaminant degradation and in the cycling of nitrogen and phosphorus in saline-alkali soils. By contrast, most carbon degradation genes and all carbon fixation genes had similar abundance at both sites. Based on the relationship between the environmental variables and microbial functional structure, pH was the major factor influencing the microbial distribution pattern in the two sites. This study demonstrated that microbial functional diversity and heterogeneity in oil-contaminated environments can vary significantly in relation to local environmental conditions. The limitation of nitrogen and phosphorus and the low degradation capacity of organic contaminant should be carefully considered, particularly in most oil-exploration sites with saline-alkali soils. Copyright © 2014 Elsevier B.V. All rights reserved.
A low-power reversible alkali atom source
NASA Astrophysics Data System (ADS)
Kang, Songbai; Mott, Russell P.; Gilmore, Kevin A.; Sorenson, Logan D.; Rakher, Matthew T.; Donley, Elizabeth A.; Kitching, John; Roper, Christopher S.
2017-06-01
An electrically controllable, solid-state, reversible device for sourcing and sinking alkali vapor is presented. When placed inside an alkali vapor cell, both an increase and decrease in the rubidium vapor density by a factor of two are demonstrated through laser absorption spectroscopy on 10-15 s time scales. The device requires low voltage (5 V), low power (<3.4 mW peak power), and low energy (<10.7 mJ per 10 s pulse). The absence of oxygen emission during operation is shown through residual gas analysis, indicating that Rb is not lost through chemical reaction but rather by ion transport through the designed channel. This device is of interest for atomic physics experiments and, in particular, for portable cold-atom systems where dynamic control of alkali vapor density can enable advances in science and technology.
Neuropsychiatric manifestations of alkali metal deficiency and excess
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yung, C.Y.
1984-01-01
The alkali metals from the Group IA of the periodic table (lithium, sodium, potassium, rubidium, cesium and francium) are reviewed. The neuropsychiatric aspects of alkali metal deficiencies and excesses (intoxications) are described. Emphasis was placed on lithium due to its clinical uses. The signs and symptoms of these conditions are characterized by features of an organic brain syndrome with delirium and encephalopathy prevailing. There are no clinically distinctive features that could be reliably used for diagnoses. Sodium and potassium are two essential alkali metals in man. Lithium is used as therapeutic agent in bipolar affective disorders. Rubidium has been investigatedmore » for its antidepressant effect in a group of psychiatric disorders. Cesium is under laboratory investigation for its role in carcinogenesis and in depressive illness. Very little is known of francium due to its great instability for experimental study.« less
Zhang, Bing; Song, Xianfang; Zhang, Yinghua; Han, Dongmei; Tang, Changyuan; Yu, Yilei; Ma, Ying
2012-05-15
Water quality is the critical factor that influence on human health and quantity and quality of grain production in semi-humid and semi-arid area. Songnen plain is one of the grain bases in China, as well as one of the three major distribution regions of soda saline-alkali soil in the world. To assess the water quality, surface water and groundwater were sampled and analyzed by fuzzy membership analysis and multivariate statistics. The surface water were gather into class I, IV and V, while groundwater were grouped as class I, II, III and V by fuzzy membership analysis. The water samples were grouped into four categories according to irrigation water quality assessment diagrams of USDA. Most water samples distributed in category C1-S1, C2-S2 and C3-S3. Three groups were generated from hierarchical cluster analysis. Four principal components were extracted from principal component analysis. The indicators to water quality assessment were Na, HCO(3), NO(3), Fe, Mn and EC from principal component analysis. We conclude that surface water and shallow groundwater are suitable for irrigation, the reservoir and deep groundwater in upstream are the resources for drinking. The water for drinking should remove of the naturally occurring ions of Fe and Mn. The control of sodium and salinity hazard is required for irrigation. The integrated management of surface water and groundwater for drinking and irrigation is to solve the water issues. Copyright © 2012 Elsevier Ltd. All rights reserved.
Ghent, Edward D.; Coleman, Robert Griffin; Hadley, Donald G.
1979-01-01
A variety of mafic and ultramafic inclusions occur within the pyroclastic components of the Al Birk basalt, erupted on the southern Red Sea coastal plain of Saudi Arabia from Pleistocene time to the present. Depleted harzburgites are the only inclusions contained within the basalts that were erupted through Miocene oceanic crust (15 km thick) in the vicinity of Jizan, whereas to the north in the vicinity of Al Birk, alkali basalts that were erupted through a thicker Precambrian crust (48 km thick) contain mixtures of harzburgites, cumulate gabbro, and websterite inclusions accompanied by large (> 2 cm) megacrysts of glassy alumina-rich clinopyroxene, plagioclase, and spinel. Microprobe analyses of individual minerals from the harzburgites, websterites, and cumulate gabbros reveal variations in composition that can be related to a complex mantle history during the evolution of the alkali basalts. Clinopyroxene and plagioclase megacrysts may represent early phases that crystallized from the alkali olivine basalt magma at depths less than 35 km. Layered websterites and gabbros with cumulate plagioclase and clinopyroxene may represent continuing crystallization of the alkali olivine basalt magma in the lower crust when basaltic magma was not rapidly ascending. It is significant that the megacrysts and cumulate inclusions apparently form only where the magmas have traversed the Precambrian crust, whereas the harzburgite-bearing basalts that penetrated a much thinner Miocene oceanic crust reveal no evidence of mantle fractionation. These alkali olivine basalts and their contained inclusions are related in time to present-day rifting in the Red Sea axial trough. The onshore, deep-seated, undersaturated magmas are separated from the shallow Red Sea rift subalkaline basalts by only 170 km. The contemporaneity of alkaline olivine and subalkaline basalts requires that they must relate directly to the separation of the Arabian plate from the African plate.
Ozawa, Tadashi C; Sasaki, Takayoshi
2010-03-15
We have designed a new approach to synthesize brookite, i.e., to extract alkali-metal ions from K(0.8)Ti(1.73)Li(0.27)O(4) (KTLO) and to apply simultaneous heat treatment to the remaining lepidocrocite-type layers of TiO(6) octahedra. For the alkali-metal ion extraction and the simultaneous heat treatment, KTLO was heated at 400 degrees C with polytetrafluoroethylene (PTFE) in flowing Ar. PTFE has been found to be an effective agent to extract strongly electropositive alkali-metal ions from KTLO because of the strong electronegativity of F as its component. The product of this reaction consists of a mixture of brookite, K(2)CO(3), LiF, and PTFE derivatives, indicating the complete extraction of K(+) and Li(+) from KTLO and formation of brookite from the lepidocrocite-type layer of TiO(6) octahedra as a template. This brookite has a partial replacement of O(2-) with F(-) and/or slight oxygen deficiency; thus, its color is light-bluish gray. Fully oxidized brookite formation and complete decomposition of PTFE derivatives have been achieved by further heating in flowing air, and coproduced alkali-metal salts have been removed by washing in water. Powder X-ray diffraction, Raman spectroscopy, and chemical analysis results have confirmed that the final brookite product treated at 600 degrees C is single phase, and it is white. The method to extract alkali-metal ions from a crystalline material using PTFE is drastically different from the common methods such as soft-chemical and electrochemical reactions. It is likely that this new synthetic approach is applicable to other layered systems to prepare a diverse family of compounds, including novel metastable ones.
Carbonatite tuffs in the Laetolil Beds of Tanzania and the Kaiserstuhl in Germany
Hay, R.L.; O'Neil, J.R.
1983-01-01
Carbonatite lava and tephra are now well known. The only modern eruptive carbonatites, from Oldoinyo Lengai, Tanzania, are of alkali carbonatite, whereas all of the pre-modern examples are of calcite or dolomite. Chemical and stable isotope analyses were made of separate phases of Pliocene carbonatite tuffs of the Laetolil Beds in Tanzania and of Miocene carbonatite tuffs of the Kaiserstuhl in Germany in order to understand the reasons for this major difference. The Laetolil Beds contain numerous carbonatite and melilitite-carbonatite tuffs. It is proposed that the carbonatite ash was originally of alkali carbonate composition and that the alkali component was dissolved, leaving a residuum of calcium carbonate. The least recrystallized melilitite-carbonatite tuff contains early-deposited calcite cement and calcite pseudomorphs after nyerereite (?) that have contents of strontium and barium and ??18O and ??13C values suggestive of incomplete chemical and isotopic exchange during alteration and replacement of alkali carbonatite ash. Carbonatite tuffs of the Kaiserstuhl contain globules composed of calcite phenocrysts and microphenocrysts in a groundmass of calcite with a small amount of clay, apatite, and magnetite. The SrO contents of phenocrysts, microphenocrysts, and groundmass calcite average 0.90, 1.42, and 0.59 percent, respectively. The average ??18O and ??13C values of globules (+14.3 and -9.0, respectively) fall between those of coarse-grained intrusive Kaiserstuhl carbonatite (avg. +6.6, -5.8) and those of low-temperature calcite cement in the carbonatite tuffs (+21.8, -14.9). The phenocrysts and microphenocrysts are primary magmatic calcite, but several features indicate that the groundmass has been recrystallized and altered in contact with meteoric water, resulting in weathering of silicate to clay, leaching of strontium, and isotopic exchange. The weight of evidence favors an original high content of alkali carbonatite in the groundmass, with recrystallization following leaching of the alkalies. ?? 1983 Springer-Verlag.
Chemometric expertise of the quality of groundwater sources for domestic use.
Spanos, Thomas; Ene, Antoaneta; Simeonova, Pavlina
2015-01-01
In the present study 49 representative sites have been selected for the collection of water samples from central water supplies with different geographical locations in the region of Kavala, Northern Greece. Ten physicochemical parameters (pH, electric conductivity, nitrate, chloride, sodium, potassium, total alkalinity, total hardness, bicarbonate and calcium) were analyzed monthly, in the period from January 2010 to December 2010. Chemometric methods were used for monitoring data mining and interpretation (cluster analysis, principal components analysis and source apportioning by principal components regression). The clustering of the chemical indicators delivers two major clusters related to the water hardness and the mineral components (impacted by sea, bedrock and acidity factors). The sampling locations are separated into three major clusters corresponding to the spatial distribution of the sites - coastal, lowland and semi-mountainous. The principal components analysis reveals two latent factors responsible for the data structures, which are also an indication for the sources determining the groundwater quality of the region (conditionally named "mineral" factor and "water hardness" factor). By the apportionment approach it is shown what the contribution is of each of the identified sources to the formation of the total concentration of each one of the chemical parameters. The mean values of the studied physicochemical parameters were found to be within the limits given in the 98/83/EC Directive. The water samples are appropriate for human consumption. The results of this study provide an overview of the hydrogeological profile of water supply system for the studied area.
Rosacea assessment by erythema index and principal component analysis segmentation maps
NASA Astrophysics Data System (ADS)
Kuzmina, Ilona; Rubins, Uldis; Saknite, Inga; Spigulis, Janis
2017-12-01
RGB images of rosacea were analyzed using segmentation maps of principal component analysis (PCA) and erythema index (EI). Areas of segmented clusters were compared to Clinician's Erythema Assessment (CEA) values given by two dermatologists. The results show that visible blood vessels are segmented more precisely on maps of the erythema index and the third principal component (PC3). In many cases, a distribution of clusters on EI and PC3 maps are very similar. Mean values of clusters' areas on these maps show a decrease of the area of blood vessels and erythema and an increase of lighter skin area after the therapy for the patients with diagnosis CEA = 2 on the first visit and CEA=1 on the second visit. This study shows that EI and PC3 maps are more useful than the maps of the first (PC1) and second (PC2) principal components for indicating vascular structures and erythema on the skin of rosacea patients and therapy monitoring.
2014-01-01
Background A two-stage chemical pretreatment of corn stover is investigated comprising an NaOH pre-extraction followed by an alkaline hydrogen peroxide (AHP) post-treatment. We propose that conventional one-stage AHP pretreatment can be improved using alkaline pre-extraction, which requires significantly less H2O2 and NaOH. To better understand the potential of this approach, this study investigates several components of this process including alkaline pre-extraction, alkaline and alkaline-oxidative post-treatment, fermentation, and the composition of alkali extracts. Results Mild NaOH pre-extraction of corn stover uses less than 0.1 g NaOH per g corn stover at 80°C. The resulting substrates were highly digestible by cellulolytic enzymes at relatively low enzyme loadings and had a strong susceptibility to drying-induced hydrolysis yield losses. Alkaline pre-extraction was highly selective for lignin removal over xylan removal; xylan removal was relatively minimal (~20%). During alkaline pre-extraction, up to 0.10 g of alkali was consumed per g of corn stover. AHP post-treatment at low oxidant loading (25 mg H2O2 per g pre-extracted biomass) increased glucose hydrolysis yields by 5%, which approached near-theoretical yields. ELISA screening of alkali pre-extraction liquors and the AHP post-treatment liquors demonstrated that xyloglucan and β-glucans likely remained tightly bound in the biomass whereas the majority of the soluble polymeric xylans were glucurono (arabino) xylans and potentially homoxylans. Pectic polysaccharides were depleted in the AHP post-treatment liquor relative to the alkaline pre-extraction liquor. Because the already-low inhibitor content was further decreased in the alkaline pre-extraction, the hydrolysates generated by this two-stage pretreatment were highly fermentable by Saccharomyces cerevisiae strains that were metabolically engineered and evolved for xylose fermentation. Conclusions This work demonstrates that this two-stage pretreatment process is well suited for converting lignocellulose to fermentable sugars and biofuels, such as ethanol. This approach achieved high enzymatic sugars yields from pretreated corn stover using substantially lower oxidant loadings than have been reported previously in the literature. This pretreatment approach allows for many possible process configurations involving novel alkali recovery approaches and novel uses of alkaline pre-extraction liquors. Further work is required to identify the most economical configuration, including process designs using techno-economic analysis and investigating processing strategies that economize water use. PMID:24693882
Method for inhibiting corrosion of nickel-containing alloys
DeVan, J.H.; Selle, J.E.
Nickel-containing alloys are protected against corrosion by contacting the alloy with a molten alkali metal having dissolved therein aluminum, silicon or manganese to cause the formation of a corrosion-resistant intermetallic layer. Components can be protected by applying the coating after an apparatus is assembled.
Pirkle, Catherine M; Wu, Yan Yan; Zunzunegui, Maria-Victoria; Gómez, José Fernando
2018-01-01
Objective Conceptual models underpinning much epidemiological research on ageing acknowledge that environmental, social and biological systems interact to influence health outcomes. Recursive partitioning is a data-driven approach that allows for concurrent exploration of distinct mixtures, or clusters, of individuals that have a particular outcome. Our aim is to use recursive partitioning to examine risk clusters for metabolic syndrome (MetS) and its components, in order to identify vulnerable populations. Study design Cross-sectional analysis of baseline data from a prospective longitudinal cohort called the International Mobility in Aging Study (IMIAS). Setting IMIAS includes sites from three middle-income countries—Tirana (Albania), Natal (Brazil) and Manizales (Colombia)—and two from Canada—Kingston (Ontario) and Saint-Hyacinthe (Quebec). Participants Community-dwelling male and female adults, aged 64–75 years (n=2002). Primary and secondary outcome measures We apply recursive partitioning to investigate social and behavioural risk factors for MetS and its components. Model-based recursive partitioning (MOB) was used to cluster participants into age-adjusted risk groups based on variabilities in: study site, sex, education, living arrangements, childhood adversities, adult occupation, current employment status, income, perceived income sufficiency, smoking status and weekly minutes of physical activity. Results 43% of participants had MetS. Using MOB, the primary partitioning variable was participant sex. Among women from middle-incomes sites, the predicted proportion with MetS ranged from 58% to 68%. Canadian women with limited physical activity had elevated predicted proportions of MetS (49%, 95% CI 39% to 58%). Among men, MetS ranged from 26% to 41% depending on childhood social adversity and education. Clustering for MetS components differed from the syndrome and across components. Study site was a primary partitioning variable for all components except HDL cholesterol. Sex was important for most components. Conclusion MOB is a promising technique for identifying disease risk clusters (eg, vulnerable populations) in modestly sized samples. PMID:29500203
Data mining in the young open cluster IC2391
NASA Astrophysics Data System (ADS)
Dodd, R. J.
2004-12-01
Large-scale astrometric and photometric data bases have been used to search for and confirm stellar membership of the open cluster IC2391. 125 stars were found that satisfied criteria for membership based on proper motion components and BRI photometry from the United States Naval Observatory B (USNO-B) catalogue and JHK photometry from the Two Micron All Sky Survey (2MASS) catalogue. This listing was compared with others recently published. A distance to the cluster of 147.7 +/- 5.5 pc was found with mean proper motion components, from the Tycho2 catalogue of (-25.04 +/- 1.53 masyr-1+23.19+/-1.23 masyr-1). A revised Trumpler classification of II3r is suggested. Luminosity and mass functions for the candidate stars were constructed and compared with those of field stars and other clusters.
Ab Initio Investigations of High-Pressure Melting of Dense Lithium
NASA Astrophysics Data System (ADS)
Clay, Raymond; Morales, Miguel; Bonev, Stanimir
Lithium at ambient conditions is the simplest alkali metal and exhibits textbook nearly-free electron behavior. As the density is increased, however, significant core/valence overlap leads to surprisingly complex chemistry. We have systematically investigated the phase diagram of lithium at pressures ranging between two and six million atmospheres. Through a combination of density functional theory based path-integral and classical molecular dynamics simulations, we have investigated the impact of both nuclear quantum effects and anharmonicity on the melting line and solid phase boundaries. We also investigate how the inclusion of nuclear quantum effects and approximations in the treatment of electronic exchange-correlation impact the robustness of previous predictions of tetrahedral clustering in dense liquid Li. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.
Complete genome sequence of “Enterobacter lignolyticus” SCF1
DOE Office of Scientific and Technical Information (OSTI.GOV)
DeAngelis, Kristen M.; D'Haeseleer, Patrik; Chivian, Dylan
2011-09-23
In an effort to discover anaerobic bacteria capable of lignin degradation, we isolated 'Ente-robacter lignolyticus' SCF1 on minimal media with alkali lignin as the sole source of carbon. This organism was isolated anaerobically from tropical forest soils collected from the Short Cloud Forest site in the El Yunque National Forest in Puerto Rico, USA, part of the Luquillo Long-Term Ecological Research Station. At this site, the soils experience strong fluctuations in redox potential and are net methane producers. Because of its ability to grow on lignin anae-robically, we sequenced the genome. The genome of 'E. lignolyticus' SCF1 is 4.81 Mbpmore » with no detected plasmids, and includes a relatively small arsenal of lignocellulolytic carbohy-drate active enzymes. Lignin degradation was observed in culture, and the genome revealed two putative laccases, a putative peroxidase, and a complete 4-hydroxyphenylacetate degra-dation pathway encoded in a single gene cluster.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Berra, M., E-mail: mario.berra@erse-web.i; Faggiani, G.; Mangialardi, T.
2010-09-15
The primary objective of this study was to ascertain whether the Threshold Alkali Level (TAL) of the concrete aggregates may be taken as a suitable reactivity parameter for the selection of aggregates susceptible of alkali-silica reaction (ASR), even when ASR expansion in concrete develops under restrained conditions. Concrete mixes made with different alkali contents and two natural siliceous aggregates with very different TALs were tested for their expansivity at 38 {sup o}C and 100% RH under unrestrained and restrained conditions. Four compressive stress levels over the range from 0.17 to 3.50 N/mm{sup 2} were applied by using a new appositelymore » designed experimental equipment. The lowest stress (0.17 N/mm{sup 2}) was selected in order to estimate the expansive pressure developed by the ASR gel under 'free' expansion conditions. It was found that, even under restrained conditions, the threshold alkali level proves to be a suitable reactivity parameter for designing concrete mixes that are not susceptible of deleterious ASR expansion. An empirical relationship between expansive pressure, concrete alkali content and aggregate TAL was developed in view of its possible use for ASR diagnosis and/or safety evaluation of concrete structures.« less
Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses.
Baral, Khagendra; Li, Aize; Ching, Wai-Yim
2017-10-12
A density functional theory (DFT)-based ab initio molecular dynamics (AIMD) has been applied to simulate models of single and mixed alkali silicate glasses with two different molar concentrations of alkali oxides. The structural environments and spatial distributions of alkali ions in the 10 simulated models with 20% and 30% of Li, Na, K and equal proportions of Li-Na and Na-K are studied in detail for subtle variations among the models. Quantum mechanical calculations of electronic structures, interatomic bonding, and mechanical and optical properties are carried out for each of the models, and the results are compared with available experimental observation and other simulations. The calculated results are in good agreement with the experimental data. We have used the novel concept of using the total bond order density (TBOD), a quantum mechanical metric, to characterize internal cohesion in these glass models. The mixed alkali effect (MAE) is visible in the bulk mechanical properties but not obvious in other physical properties studied in this paper. We show that Li doping deviates from expected trend due to the much stronger Li-O bonding than those of Na and K doping. The approach used in this study is in contrast with current studies in alkali-doped silicate glasses based only on geometric characterizations.
Lin, Nan; Jiang, Junhai; Guo, Shicheng; Xiong, Momiao
2015-01-01
Due to the advancement in sensor technology, the growing large medical image data have the ability to visualize the anatomical changes in biological tissues. As a consequence, the medical images have the potential to enhance the diagnosis of disease, the prediction of clinical outcomes and the characterization of disease progression. But in the meantime, the growing data dimensions pose great methodological and computational challenges for the representation and selection of features in image cluster analysis. To address these challenges, we first extend the functional principal component analysis (FPCA) from one dimension to two dimensions to fully capture the space variation of image the signals. The image signals contain a large number of redundant features which provide no additional information for clustering analysis. The widely used methods for removing the irrelevant features are sparse clustering algorithms using a lasso-type penalty to select the features. However, the accuracy of clustering using a lasso-type penalty depends on the selection of the penalty parameters and the threshold value. In practice, they are difficult to determine. Recently, randomized algorithms have received a great deal of attentions in big data analysis. This paper presents a randomized algorithm for accurate feature selection in image clustering analysis. The proposed method is applied to both the liver and kidney cancer histology image data from the TCGA database. The results demonstrate that the randomized feature selection method coupled with functional principal component analysis substantially outperforms the current sparse clustering algorithms in image cluster analysis. PMID:26196383
Sun, Pengfei; Wang, Wanglong; Weng, Xiaole; Dai, Xiaoxia; Wu, Zhongbiao
2018-06-05
Industrial combustion of chloroaromatics is likely to generate unintentional biphenyls (PCBs), polychlorinated dibenzo- p-dioxins (PCDDs), and polychlorinated dibenzofurans (PCDFs). This process involves a surface-mediated reaction and can be accelerated in the presence of a catalyst. In the past decade, the effect of surface nature of applied catalysts on the conversion of chloroaromatics to PCBs/PCDD/PCDF has been well explored. However, studies on how the flue gas interferent components affect such a conversion process remain insufficient. In this article, a critical flue gas interferent component, alkali potassium, was investigated to reveal its effect on the chloroaromatics oxidation at a typical solid acid-base catalyst, Mn x Ce 1- x O 2 /HZSM-5. The loading of alkali potassium was found to improve the Lewis acidity of the catalyst (by increasing the amounts of surface Mn 4+ after calcination), which thus promoted the CO 2 selectivity for catalytic chlorobenzene (CB) oxidation. The KOH with a high hydrophilicity has favored the adsorption/activation of H 2 O molecules that provided sufficient hydroxyl groups and possibly induced a hydrolysis process to promote the formation of HCl. The K ion also served as a potential sink for chorine ions immobilization (via forming KCl). Both of these inhibited the formation of phenyl polychloride byproducts, thereby blocking the conversion of CB to chlorophenol and then PCDDs/PCDFs, and potentially ensuring a durable operation and less secondary pollution for the catalytic chloroaromatics combustion in industry.
Haddox, J L; Pfister, R R; Slaughter, S E
1996-03-01
Our purpose was to determine whether chelation of Ca2+ and Mg2+ is the mechanism by which sodium citrate inhibits corneal ulceration in the alkali-injured rabbit eye. The right eyes of 60 albino rabbits (2-2.5 kg) were alkali-injured by filling a 12-mm-diameter plastic well placed on the corneal surface with 0.4 ml of 1 N NaOH. After 35 s the alkali was aspirated, and the well was rinsed with physiological saline. Animals were randomly distributed to three treatment groups of equal size. Two drops of the following topical medications were administered on the hour (14 times per day) for 35 days: physiological saline, 10% citrate in saline, and 346 mM Ca2+, 346 mM Mg2+, and 10% citrate in saline. During the experiment, significantly fewer ulcerations occurred in the citrate-treated eyes (five of 20, 25%) than in the saline-treated eyes (13 of 20, 65%) or in the calcium-magnesium-citrate-treated eyes (15 of 20, 75%). When ulcerations did develop in the citrate group, they occurred significantly later and were less severe than those in the saline and calcium-magnesium-citrate groups. There was a significant increase in the number of eyes with signs of band keratopathy and translucent areas in the calcium-magnesium-citrate group when compared with the other two groups. As in previous studies, sodium citrate significantly inhibited the development of corneal ulcers after alkali injury. The annullment of the favorable effect of citrate on ulceration in the alkali-injured eye by the addition of calcium and magnesium shows that the mechanism of action of citrate is the chelation of these divalent cations.
Giotis, Efstathios S; Muthaiyan, Arunachalam; Blair, Ian S; Wilkinson, Brian J; McDowell, David A
2008-01-01
Background Information regarding the Alkali-Tolerance Response (AlTR) in Listeria monocytogenes is very limited. Treatment of alkali-adapted cells with the protein synthesis inhibitor chloramphenicol has revealed that the AlTR is at least partially protein-dependent. In order to gain a more comprehensive perspective on the physiology and regulation of the AlTR, we compared differential gene expression and protein content of cells adapted at pH 9.5 and un-adapted cells (pH 7.0) using complementary DNA (cDNA) microarray and two-dimensional (2D) gel electrophoresis, (combined with mass spectrometry) respectively. Results In this study, L. monocytogenes was shown to exhibit a significant AlTR following a 1-h exposure to mild alkali (pH 9.5), which is capable of protecting cells from subsequent lethal alkali stress (pH 12.0). Adaptive intracellular gene expression involved genes that are associated with virulence, the general stress response, cell division, and changes in cell wall structure and included many genes with unknown functions. The observed variability between results of cDNA arrays and 2D gel electrophoresis may be accounted for by posttranslational modifications. Interestingly, several alkali induced genes/proteins can provide a cross protective overlap to other types of stresses. Conclusion Alkali pH provides therefore L. monocytogenes with nonspecific multiple-stress resistance that may be vital for survival in the human gastrointestinal tract as well as within food processing systems where alkali conditions prevail. This study showed strong evidence that the AlTR in L. monocytogenes functions as to minimize excess alkalisation and energy expenditures while mobilizing available carbon sources. PMID:18577215
Kim, Sunhyung; Kwak, Jinyoung; Lee, Sang-Yup
2014-05-01
Photoluminescence (PL) decay induced by the displacement of an ionic fluorescence component, Tb(3+), with alkali and alkaline earth metal cations was investigated using photoluminescent spherical self-assemblies as optical probes. The photoluminescent spherical self-assembly was prepared by the self-organization of a tyrosine-containing bolaamphiphile molecule with a photosensitizer and Tb(3+) ion. The lanthanide ion, Tb(3+), electrically bound to the carboxyl group of the bolaamphiphile molecule, was displaced by alkali and alkaline earth metal cations that had stronger electrophilicity. The PL of the self-assembly decayed remarkably due to the substitution of lanthanide ions with alkali and alkaline earth metal cations. The PL decay showed a positive correlation with cation concentration and was sensitive to the cation valency. Generally, the PL decay was enhanced by the electrophilicity of the cations. However, Ca(2+) showed greater PL decay than Mg(2+) because Ca(2+) could create various complexes with the carboxyl groups of the bolaamphiphile molecule. Microscopic and spectroscopic investigations were conducted to study the photon energy transfer and displacement of Tb(3+) by the cation exchange. This study demonstrated that the PL decay by the displacement of the ionic fluorescent compound was applied to the detection of various cations in aqueous media and is applicable to the development of future optical sensors. Copyright © 2014 Elsevier B.V. All rights reserved.
Karan, Chandan Kumar; Bhattacharjee, Manish
2018-04-16
Two new bimetallic iron-alkali metal complexes of amino acid (serine)-based reduced Schiff base ligand were synthesized and structurally characterized. Their efficacy as catalysts for the chemical fixation of carbon dioxide was explored. The heterogeneous version of the catalytic reaction was developed by the immobilization of these homogeneous bimetallic iron-alkali metal complexes in an anion-exchange resin. The resin-bound complexes can be used as recyclable catalysts up to six cycles.
The clustering of baryonic matter. I: a halo-model approach
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fedeli, C., E-mail: cosimo.fedeli@oabo.inaf.it
2014-04-01
In this paper I generalize the halo model for the clustering of dark matter in order to produce the power spectra of the two main baryonic matter components in the Universe: stars and hot gas. As a natural extension, this can be also used to describe the clustering of all mass. According to the design of the halo model, the large-scale power spectra of the various matter components are physically connected with the distribution of each component within bound structures and thus, ultimately, with the complete set of physical processes that drive the formation of galaxies and galaxy clusters. Besidesmore » being practical for cosmological and parametric studies, the semi-analytic model presented here has also other advantages. Most importantly, it allows one to understand on physical ground what is the relative contribution of each matter component to the total clustering of mass as a function of scale, and thus it opens an interesting new window to infer the distribution of baryons through high precision cosmic shear measurements. This is particularly relevant for future wide-field photometric surveys such as Euclid. In this work the concept of the model and its uncertainties are illustrated in detail, while in a companion paper we use a set of numerical hydrodynamic simulations to show a practical application and to investigate where the model itself needs to be improved.« less
Electrolytic method to make alkali alcoholates using ion conducting alkali electrolyte/separator
Joshi, Ashok V [Salt Lake City, UT; Balagopal, Shekar [Sandy, UT; Pendelton, Justin [Salt Lake City, UT
2011-12-13
Alkali alcoholates, also called alkali alkoxides, are produced from alkali metal salt solutions and alcohol using a three-compartment electrolytic cell. The electrolytic cell includes an anolyte compartment configured with an anode, a buffer compartment, and a catholyte compartment configured with a cathode. An alkali ion conducting solid electrolyte configured to selectively transport alkali ions is positioned between the anolyte compartment and the buffer compartment. An alkali ion permeable separator is positioned between the buffer compartment and the catholyte compartment. The catholyte solution may include an alkali alcoholate and alcohol. The anolyte solution may include at least one alkali salt. The buffer compartment solution may include a soluble alkali salt and an alkali alcoholate in alcohol.
NASA Astrophysics Data System (ADS)
Wheeler, K. I.; Levia, D. F., Jr.; Hudson, J. E.
2017-12-01
As trees undergo autumnal processes such as resorption, senescence, and leaf abscission, the dissolved organic matter (DOM) contribution of leaf litter leachate to streams changes. However, little research has investigated how the fluorescent DOM (FDOM) changes throughout the autumn and how this differs inter- and intraspecifically. Two of the major impacts of global climate change on forested ecosystems include altering phenology and causing forest community species and subspecies composition restructuring. We examined changes in FDOM in leachate from American beech (Fagus grandifolia Ehrh.) leaves in Maryland, Rhode Island, Vermont, and North Carolina and yellow poplar (Liriodendron tulipifera L.) leaves from Maryland throughout three different phenophases: green, senescing, and freshly abscissed. Beech leaves from Maryland and Rhode Island have previously been identified as belonging to the same distinct genetic cluster and beech trees from Vermont and the study site in North Carolina from the other. FDOM in samples was characterized using excitation-emission matrices (EEMs) and a six-component parallel factor analysis (PARAFAC) model was created to identify components. Self-organizing maps (SOMs) were used to visualize variation and patterns in the PARAFAC component proportions of the leachate samples. Phenophase and species had the greatest influence on determining where a sample mapped on the SOM when compared to genetic clusters and geographic origin. Throughout senescence, FDOM from all the trees transitioned from more protein-like components to more humic-like ones. Percent greenness of the sampled leaves and the proportion of the tyrosine-like component 1 were found to significantly differ between the two genetic beech clusters. This suggests possible differences in photosynthesis and resorption between the two genetic clusters of beech. The use of SOMs to visualize differences in patterns of senescence between the different species and genetic populations proved to be useful in ways that other multivariate analysis techniques lack.
Exposing the Binary Heart of ETA Carinae
NASA Technical Reports Server (NTRS)
Forman, WIlliam; Mushotzky, Richard (Technical Monitor)
2005-01-01
Continued progress was made last year on A1367. As noted before, A1367 is a puzzling cluster with a large elongation, suggesting a major merger but with an anti-correlation between the luminosity and temperature of the two components of the cluster (NE and SW). The less luminous subconcentration appears hotter and the more luminous portion of the cluster appears cooler in contradiction to the well-established positive correlation of temperature and luminosity for clusters and groups. With the XMM-Newton observation we have developed a merger model to explain this apparent contradiction.
Tumorigenicity of the miR-17-92 cluster distilled.
van Haaften, Gijs; Agami, Reuven
2010-01-01
The miR-17-92 gene cluster, with its six different mature microRNAs (miRNAs), has an established oncogenic function. However, the oncogenic contribution of each individual miRNA in the cluster has not been assigned. Two studies published in the December 15, 2009, issue of Genes & Development by Mu and colleagues (pp. 2806-2811) and Olive and colleagues (pp. 2839-2849) dissected the miR-17-92 cluster to its individual miRNA components and identified their relative contributions to oncogenic transformation in mouse model systems.
Two-phase reduced gravity experiments for a space reactor design
NASA Technical Reports Server (NTRS)
Antoniak, Zenen I.
1987-01-01
Future space missions researchers envision using large nuclear reactors with either a single or a two-phase alkali-metal working fluid. The design and analysis of such reactors require state-of-the-art computer codes that can properly treat alkali-metal flow and heat transfer in a reduced-gravity environment. New flow regime maps, models, and correlations are required if the codes are to be successfully applied to reduced-gravity flow and heat transfer. General plans are put forth for the reduced-gravity experiments which will have to be performed, at NASA facilities, with benign fluids. Data from the reduced-gravity experiments with innocuous fluids are to be combined with normal gravity data from two-phase alkali-metal experiments. Because these reduced-gravity experiments will be very basic, and will employ small test loops of simple geometry, a large measure of commonality exists between them and experiments planned by other organizations. It is recommended that a committee be formed to coordinate all ongoing and planned reduced gravity flow experiments.
SEM and AFM Studies of Two-Phase Magnetic Alkali Borosilicate Glasses
Tomkovich, M.; Nacke, B.; Filimonov, A.; Alekseeva, O.; Vanina, P.; Nizhankovskii, V.
2017-01-01
The morphology and composition of four types of two-phase alkali borosilicate glasses with magnetic atoms prepared by inductive melting have been studied. The results of scanning electron microscopy point to uniform distribution of Na, Si, and O atoms in these samples while magnetic iron atoms form ball-shaped agglomerates. The magnetic properties of these agglomerates have been confirmed by magnetic force microscopy. Atomic force microscopy had shown that in these samples two different morphological structures, drop-like and dendrite net, are formed. The formation of dendrite-like structure is a necessary condition for production of porous magnetic glasses. The obtained results allow us to optimize the melting and heat treatment processes leading to production of porous alkali borosilicate glasses with magnetic properties. The first results for nanocomposite materials on the basis of magnetic glasses containing the embedded ferroelectrics KH2PO4 demonstrate the effect of applied magnetic field on the ferroelectric phase transition. PMID:28428976
Alkali metal ion battery with bimetallic electrode
Boysen, Dane A; Bradwell, David J; Jiang, Kai; Kim, Hojong; Ortiz, Luis A; Sadoway, Donald R; Tomaszowska, Alina A; Wei, Weifeng; Wang, Kangli
2015-04-07
Electrochemical cells having molten electrodes having an alkali metal provide receipt and delivery of power by transporting atoms of the alkali metal between electrode environments of disparate chemical potentials through an electrochemical pathway comprising a salt of the alkali metal. The chemical potential of the alkali metal is decreased when combined with one or more non-alkali metals, thus producing a voltage between an electrode comprising the molten the alkali metal and the electrode comprising the combined alkali/non-alkali metals.
Weak Lensing Results of the Merging Cluster A1758
NASA Technical Reports Server (NTRS)
Markevitch, M.; Gonzalez, A. H.; Bradac, M.
2011-01-01
Here we present the weak lensing results of A1758, which is known to have four cluster members undergoing two separate mergers, A1758N and A1758S. Weak lensing results of A1758N agree with previous weak lensing results of clusters lE0657-558 (Bullet cluster) and MACS J0025.4-1222, whose X-ray gas components were found to be largely separated from their clusters' gravitational potentials. A1758N has a geometry that is different from previously published mergers in that one of its X-ray peaks overlays the corresponding gravitational potential and the other X-ray peak is well separated from its cluster's gravitational potential.
Žák, A; Burda, M; Vecka, M; Zeman, M; Tvrzická, E; Staňková, B
2014-01-01
Dietary composition and metabolism of fatty acids (FA) influence insulin resistance, atherogenic dyslipidemia and other components of the metabolic syndrome (MS). It is known that patients with MS exhibit a heterogeneous phenotype; however, the relationships of individual FA to MS components have not yet been consistently studied. We examined the plasma phosphatidylcholine FA composition of 166 individuals (68F/98M) with MS and of 188 (87F/101M) controls. Cluster analysis of FA divided the groups into two clusters. In cluster 1, there were 65.7 % of MS patients and 37.8 % of controls, cluster 2 contained 34.3 % of patients and 62.2 % of controls (P<0.001). Those with MS within cluster 1 (MS1) differed from individuals with MS in cluster 2 (MS2) by concentrations of glucose (P<0.05), NEFA (P<0.001), HOMA-IR (P<0.05), and levels of conjugated dienes in LDL (P<0.05). The FA composition in MS1 group differed from MS2 by higher contents of palmitoleic (+30 %), gamma-linolenic (+22 %), dihomo-gamma-linolenic (+9 %) acids and by a lower content of linoleic acid (-25 %) (all P<0.01). These FA patterns are supposed to be connected with the progression and/or impaired biochemical measures of MS (lipolysis, oxidative stress, dysglycidemia, and insulin resistance).
HEAO-A2 observations of the X-ray spectra of the Centaurus and A1060 clusters of galaxies
NASA Technical Reports Server (NTRS)
Mitchell, R.; Mushotzky, R.
1979-01-01
The X-ray spectral observations of two low luminosity clusters of galaxies, Centaurus and A1060, are presented. An emission feature of the Centaurus cluster at 7.9 keV is detected at about one third of the strength of the 6.7 keV line. This higher energy line represents K sub beta emission from highly ionized iron. An isothermal model with an Fe emission line is discussed and it is shown that the model cannot fit the data of the Centaurus or the A1060 clusters. The implications of the two component nature of the continuum on the Fe abundance and the X-ray surface brightness distribution are discussed.
A class of spherical, truncated, anisotropic models for application to globular clusters
NASA Astrophysics Data System (ADS)
de Vita, Ruggero; Bertin, Giuseppe; Zocchi, Alice
2016-05-01
Recently, a class of non-truncated, radially anisotropic models (the so-called f(ν)-models), originally constructed in the context of violent relaxation and modelling of elliptical galaxies, has been found to possess interesting qualities in relation to observed and simulated globular clusters. In view of new applications to globular clusters, we improve this class of models along two directions. To make them more suitable for the description of small stellar systems hosted by galaxies, we introduce a "tidal" truncation by means of a procedure that guarantees full continuity of the distribution function. The new fT(ν)-models are shown to provide a better fit to the observed photometric and spectroscopic profiles for a sample of 13 globular clusters studied earlier by means of non-truncated models; interestingly, the best-fit models also perform better with respect to the radial-orbit instability. Then, we design a flexible but simple two-component family of truncated models to study the separate issues of mass segregation and multiple populations. We do not aim at a fully realistic description of globular clusters to compete with the description currently obtained by means of dedicated simulations. The goal here is to try to identify the simplest models, that is, those with the smallest number of free parameters, but still have the capacity to provide a reasonable description for clusters that are evidently beyond the reach of one-component models. With this tool, we aim at identifying the key factors that characterize mass segregation or the presence of multiple populations. To reduce the relevant parameter space, we formulate a few physical arguments based on recent observations and simulations. A first application to two well-studied globular clusters is briefly described and discussed.
NASA Astrophysics Data System (ADS)
Molnar, S. M.; Broadhurst, T.
2017-05-01
The colliding cluster, CIZA J2242.8+5301, displays a spectacular, almost 2 Mpc long shock front with a radio based Mach number M≃ 5, that is puzzlingly large compared to the X-ray estimate of M≃ 2.5. The extent to which the X-ray temperature jump is diluted by cooler unshocked gas projected through the cluster currently lacks quantification. Here we apply our self-consistent N-body/hydrodynamical code (based on FLASH) to model this binary cluster encounter. We can account for the location of the shock front and also the elongated X-ray emission by tidal stretching of the gas and dark matter between the two cluster centers. The required total mass is 8.9× {10}14 {M}⊙ with a 1.3:1 mass ratio favoring the southern cluster component. The relative velocity we derive is ≃ 2500 {km} {{{s}}}-1 initially between the two main cluster components, with an impact parameter of 120 kpc. This solution implies that the shock temperature jump derived from the low angular resolution X-ray satellite Suzaku is underestimated by a factor of two, due to cool gas in projection, bringing the observed X-ray and radio estimates into agreement. Finally, we use our model to generate Compton-y maps to estimate the thermal Sunyaev-Zel’dovich (SZ) effect. At 30 GHz, this amounts to {{Δ }}{S}n=-0.072 mJy/arcmin2 and {{Δ }}{S}s=-0.075 mJy/arcmin2 at the locations of the northern and southern shock fronts respectively. Our model estimate agrees with previous empirical estimates that have inferred the measured radio spectra of the radio relics can be significantly affected by the SZ effect, with implications for charged particle acceleration models.
Spadone, Sara; de Pasquale, Francesco; Mantini, Dante; Della Penna, Stefania
2012-09-01
Independent component analysis (ICA) is typically applied on functional magnetic resonance imaging, electroencephalographic and magnetoencephalographic (MEG) data due to its data-driven nature. In these applications, ICA needs to be extended from single to multi-session and multi-subject studies for interpreting and assigning a statistical significance at the group level. Here a novel strategy for analyzing MEG independent components (ICs) is presented, Multivariate Algorithm for Grouping MEG Independent Components K-means based (MAGMICK). The proposed approach is able to capture spatio-temporal dynamics of brain activity in MEG studies by running ICA at subject level and then clustering the ICs across sessions and subjects. Distinctive features of MAGMICK are: i) the implementation of an efficient set of "MEG fingerprints" designed to summarize properties of MEG ICs as they are built on spatial, temporal and spectral parameters; ii) the implementation of a modified version of the standard K-means procedure to improve its data-driven character. This algorithm groups the obtained ICs automatically estimating the number of clusters through an adaptive weighting of the parameters and a constraint on the ICs independence, i.e. components coming from the same session (at subject level) or subject (at group level) cannot be grouped together. The performances of MAGMICK are illustrated by analyzing two sets of MEG data obtained during a finger tapping task and median nerve stimulation. The results demonstrate that the method can extract consistent patterns of spatial topography and spectral properties across sessions and subjects that are in good agreement with the literature. In addition, these results are compared to those from a modified version of affinity propagation clustering method. The comparison, evaluated in terms of different clustering validity indices, shows that our methodology often outperforms the clustering algorithm. Eventually, these results are confirmed by a comparison with a MEG tailored version of the self-organizing group ICA, which is largely used for fMRI IC clustering. Copyright © 2012 Elsevier Inc. All rights reserved.
Hydrothermal alkali metal catalyst recovery process
Eakman, James M.; Clavenna, LeRoy R.
1979-01-01
In a coal gasification operation or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein solid particles containing alkali metal residues are produced, alkali metal constituents are recovered from the particles primarily in the form of water soluble alkali metal formates by treating the particles with a calcium or magnesium-containing compound in the presence of water at a temperature between about 250.degree. F. and about 700.degree. F. and in the presence of added carbon monoxide. During the treating process the water insoluble alkali metal compounds comprising the insoluble alkali metal residues are converted into water soluble alkali metal formates. The resultant aqueous solution containing water soluble alkali metal formates is then separated from the treated particles and any insoluble materials formed during the treatment process, and recycled to the gasification process where the alkali metal formates serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst. This process permits increased recovery of alkali metal constituents, thereby decreasing the overall cost of the gasification process by reducing the amount of makeup alkali metal compounds necessary.
Correlation and network analysis of global financial indices
NASA Astrophysics Data System (ADS)
Kumar, Sunil; Deo, Nivedita
2012-08-01
Random matrix theory (RMT) and network methods are applied to investigate the correlation and network properties of 20 financial indices. The results are compared before and during the financial crisis of 2008. In the RMT method, the components of eigenvectors corresponding to the second largest eigenvalue form two clusters of indices in the positive and negative directions. The components of these two clusters switch in opposite directions during the crisis. The network analysis uses the Fruchterman-Reingold layout to find clusters in the network of indices at different thresholds. At a threshold of 0.6, before the crisis, financial indices corresponding to the Americas, Europe, and Asia-Pacific form separate clusters. On the other hand, during the crisis at the same threshold, the American and European indices combine together to form a strongly linked cluster while the Asia-Pacific indices form a separate weakly linked cluster. If the value of the threshold is further increased to 0.9 then the European indices (France, Germany, and the United Kingdom) are found to be the most tightly linked indices. The structure of the minimum spanning tree of financial indices is more starlike before the crisis and it changes to become more chainlike during the crisis. The average linkage hierarchical clustering algorithm is used to find a clearer cluster structure in the network of financial indices. The cophenetic correlation coefficients are calculated and found to increase significantly, which indicates that the hierarchy increases during the financial crisis. These results show that there is substantial change in the structure of the organization of financial indices during a financial crisis.
Correlation and network analysis of global financial indices.
Kumar, Sunil; Deo, Nivedita
2012-08-01
Random matrix theory (RMT) and network methods are applied to investigate the correlation and network properties of 20 financial indices. The results are compared before and during the financial crisis of 2008. In the RMT method, the components of eigenvectors corresponding to the second largest eigenvalue form two clusters of indices in the positive and negative directions. The components of these two clusters switch in opposite directions during the crisis. The network analysis uses the Fruchterman-Reingold layout to find clusters in the network of indices at different thresholds. At a threshold of 0.6, before the crisis, financial indices corresponding to the Americas, Europe, and Asia-Pacific form separate clusters. On the other hand, during the crisis at the same threshold, the American and European indices combine together to form a strongly linked cluster while the Asia-Pacific indices form a separate weakly linked cluster. If the value of the threshold is further increased to 0.9 then the European indices (France, Germany, and the United Kingdom) are found to be the most tightly linked indices. The structure of the minimum spanning tree of financial indices is more starlike before the crisis and it changes to become more chainlike during the crisis. The average linkage hierarchical clustering algorithm is used to find a clearer cluster structure in the network of financial indices. The cophenetic correlation coefficients are calculated and found to increase significantly, which indicates that the hierarchy increases during the financial crisis. These results show that there is substantial change in the structure of the organization of financial indices during a financial crisis.
Sustainable Development in Indian Automotive Component Clusters
NASA Astrophysics Data System (ADS)
Bhaskaran, E.
2013-01-01
India is the world's second fastest growing auto market and boasts of the sixth largest automobile industry after China, the US, Germany, Japan and Brazil. The Indian auto component industry recorded its highest year-on-year growth of 34.2 % in 2010-2011, raking in revenue of US 39.9 billion; major contribution coming from exports at US five billion and fresh investment from the US at around US two billion. For inclusive growth and sustainable development most of the auto components manufacturers has adopted the cluster development approach. The objective is to study the technical efficiency (θ), peer weights (λ i ), input slacks (S-) and output slacks (S+) of four Auto Component Clusters (ACC) in India. The methodology adopted is using Data Envelopment Analysis of Input Oriented Banker Charnes Cooper Model by taking number of units and number of employments as inputs and sales and exports in crores as an outputs. The non-zero λ i 's represents the weights for efficient clusters. The S > 0 obtained for one ACC reveals the excess no. of units (S-) and employment (S-) and shortage in sales (S+) and exports (S+). However the variable returns to scale are increasing for three clusters, constant for one more cluster and with nil decrease. To conclude, for inclusive growth and sustainable development, the inefficient ACC should increase their turnover and exports, as decrease in no. of enterprises and employment is practically not possible. Moreover for sustainable development, the ACC should strengthen infrastructure interrelationships, technology interrelationships, procurement interrelationships, production interrelationships and marketing interrelationships to increase productivity and efficiency to compete in the world market.
Lopes, Pietro P.; Strmcnik, Dusan; Jirkovsky, Jakub S.; ...
2015-09-28
Oxygen reduction and ethanol oxidation reactions were studied on Au(111), Pt(111) and Ir(111) in alkaline solutions containing sodium and/or lithium cations. By keeping the same (111) surface orientation and exploring oxophilicity trends and non-covalent interactions between OH ad and alkali metal cations (AMC n+), we were able to gain deep insights into the multiple roles that OH ad plays in these important electrocatalytic reactions. Cyclic voltammetry experiments revealed that OH ad formation initiates at distinct electrode potentials, governed by the oxophilicity of the specific metal surface, with further OH ad adlayer stabilization by non-covalent alkali-cation interactions and affecting the formationmore » of a “true oxide” layer at higher electrode potentials. Although OH ad is a simple spectator for the ORR, it promotes the ethanol oxidation reaction (EOR) at lower potentials and act as spectator at high OHad coverages. By changing the alkali metal cation at the interface (Li +) on more oxophilic surfaces, it was possible to promote the EOR even more, relative to Na +, without changing the product distribution for the reaction. This cation effect suggests that OH ad—Li +(H 2O) x clusters can stabilize the ethoxide adlayer, thus improving the EOR activity. Finally, our results indicate the importance of the entire electrochemical interface in determining the electrocatalytic activity during reaction.« less
The modified polymethyl methacrylate-silicone keratoprosthesis in rabbit model.
Sun, Heng; Hu, Zhu-Lin
2018-05-01
To evaluate the safety and effectiveness of a modified polymethyl methacrylate-silicone keratoprosthesis and its operation method in alkali-burned rabbit model. The polymethyl methacrylate-silicone keratoprostheses were implanted into seven alkali-burned rabbit corneas by a special operation method using autologous graft as the keratoprosthesis (Kpro) carrier. The long-term postoperative outcomes were evaluated. During a postoperative study period of 16 months, except for one Kpro extruded at 3 months, all Kpros were in good position and were kept transparent without Kpro extrusion, keratolysis, infection, endophthalmitis, or retinal detachment. The postoperative complications included elevated intraocular pressure in two cases and temporary retroprosthetic membrane formation in two cases. The modified polymethyl methacrylate-silicone Kpro and its operation method is a relatively safe and effective choice for alkali-burned rabbit eyes. Elevated intraocular pressure is the main complication needing to be resolved.
A cluster bootstrap for two-loop MHV amplitudes
Golden, John; Spradlin, Marcus
2015-02-02
We apply a bootstrap procedure to two-loop MHV amplitudes in planar N=4 super-Yang-Mills theory. We argue that the mathematically most complicated part (the Λ 2 B 2 coproduct component) of the n-particle amplitude is uniquely determined by a simple cluster algebra property together with a few physical constraints (dihedral symmetry, analytic structure, supersymmetry, and well-defined collinear limits). Finally, we present a concise, closed-form expression which manifests these properties for all n.
Photoionization of rare gas clusters
NASA Astrophysics Data System (ADS)
Zhang, Huaizhen
This thesis concentrates on the study of photoionization of van der Waals clusters with different cluster sizes. The goal of the experimental investigation is to understand the electronic structure of van der Waals clusters and the electronic dynamics. These studies are fundamental to understand the interaction between UV-X rays and clusters. The experiments were performed at the Advanced Light Source at Lawrence Berkeley National Laboratory. The experimental method employs angle-resolved time-of-flight photoelectron spectrometry, one of the most powerful methods for probing the electronic structure of atoms, molecules, clusters and solids. The van der Waals cluster photoionization studies are focused on probing the evolution of the photoelectron angular distribution parameter as a function of photon energy and cluster size. The angular distribution has been known to be a sensitive probe of the electronic structure in atoms and molecules. However, it has not been used in the case of van der Waals clusters. We carried out outer-valence levels, inner-valence levels and core-levels cluster photoionization experiments. Specifically, this work reports on the first quantitative measurements of the angular distribution parameters of rare gas clusters as a function of average cluster sizes. Our findings for xenon clusters is that the overall photon-energy-dependent behavior of the photoelectrons from the clusters is very similar to that of the corresponding free atoms. However, distinct differences in the angular distribution point at cluster-size-dependent effects were found. For krypton clusters, in the photon energy range where atomic photoelectrons have a high angular anisotropy, our measurements show considerably more isotropic angular distributions for the cluster photoelectrons, especially right above the 3d and 4p thresholds. For the valence electrons, a surprising difference between the two spin-orbit components was found. For argon clusters, we found that the angular distribution parameter values of the two-spin-orbit components from Ar 2p clusters are slightly different. When comparing the beta values for Ar between atoms and clusters, we found different results between Ar 3s atoms and clusters, and between Ar 3p atoms and clusters. Argon cluster resonance from surface and bulk were also measured. Furthermore, the angular distribution parameters of Ar cluster photoelectrons and Ar atom photoelectrons in the 3s → np ionization region were obtained.
Simulations of galaxy cluster collisions with a dark plasma component
NASA Astrophysics Data System (ADS)
Spethmann, Christian; Veermäe, Hardi; Sepp, Tiit; Heikinheimo, Matti; Deshev, Boris; Hektor, Andi; Raidal, Martti
2017-12-01
Context. Dark plasma is an intriguing form of self-interacting dark matter with an effective fluid-like behavior, which is well motivated by various theoretical particle physics models. Aims: We aim to find an explanation for an isolated mass clump in the Abell 520 system, which cannot be explained by traditional models of dark matter, but has been detected in weak lensing observations. Methods: We performed N-body smoothed particle hydrodynamics simulations of galaxy cluster collisions with a two component model of dark matter, which is assumed to consist of a predominant non-interacting dark matter component and a 10-40% mass fraction of dark plasma. Results: The mass of a possible dark clump was calculated for each simulation in a parameter scan over the underlying model parameters. In two higher resolution simulations shock-waves and Mach cones were observed to form in the dark plasma halos. Conclusions: By choosing suitable simulation parameters, the observed distributions of dark matter in both the Bullet cluster (1E 0657-558) and Abell 520 (MS 0451.5+0250) can be qualitatively reproduced. Movies associated to Figs. A.1 and A.2 are available at http://www.aanda.org
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gordon, John Howard; Alvare, Javier
Alkali metals and sulfur may be recovered from alkali monosulfide and polysulfides in an electrolytic process that utilizes an electrolytic cell having an alkali ion conductive membrane. An anolyte solution includes an alkali monosulfide, an alkali polysulfide, or a mixture thereof and a solvent that dissolves elemental sulfur. A catholyte includes molten alkali metal. Applying an electric current oxidizes sulfide and polysulfide in the anolyte compartment, causes alkali metal ions to pass through the alkali ion conductive membrane to the catholyte compartment, and reduces the alkali metal ions in the catholyte compartment. Liquid sulfur separates from the anolyte solution andmore » may be recovered. The electrolytic cell is operated at a temperature where the formed alkali metal and sulfur are molten.« less
Alkalis in Coal and Coal Cleaning Products / Alkalia W Węglu I Productach Jego Wzbogacania
NASA Astrophysics Data System (ADS)
Bytnar, Krzysztof; Burmistrz, Piotr
2013-09-01
In the coking process, the prevailing part of the alkalis contained in the coal charge goes to coke. The content of alkalis in coal (and also in coke) is determined mainly by the content of two elements: sodium and potasium. The presence of these elements in coal is connected with their occurrence in the mineral matter and moisture of coal. In the mineral matter and moisture of the coals used for the coke production determinable the content of sodium is 26.6 up to 62. per cent, whereas that of potassium is 37.1 up to 73.4 per cent of the total content of alkalis. Major carriers of alkalis are clay minerals. Occasionally alkalis are found in micas and feldspars. The fraction of alkalis contained in the moisture of the coal used for the production of coke in the total amount of alkalis contained there is 17.8 up to 62.0 per cent. The presence of sodium and potassium in the coal moisture is strictly connected with the presence of the chloride ions. The analysis of the water drained during process of the water-extracting from the flotoconcentrate showed that the Na to K mass ratio in the coal moisture is 20:1. Increased amount of the alkalis in the coal blends results in increased content of the alkalis in coke. This leads to the increase of the reactivity (CRI index), and to the decrease of strength (CSR index) determined with the Nippon Steel Co. method. W procesie koksowania przeważająca część zawartych we wsadzie węglowym alkaliów przechodzi do koksu. Zawartość alkaliów w węglu, a co za tym idzie i w koksie determinowana jest głównie zawartością dwóch pierwiastków: sodu i potasu. Obecność tych pierwiastków w węglu wiąże się z występowaniem ich w substancji mineralnej i wilgoci węgla. W substancji mineralnej oraz wilgoci węgli stosowanych do produkcji koksu, oznaczona zawartość sodu wynosi od 26.6 do 62.9%, a zawartość potasu od 37.1 do 73.4% alkaliów ogółem. Głównymi nośnikami alkaliów w substancji mineralnej są minerały ilaste, sporadycznie też miki oraz skalenie. Udział alkaliów zawartych w wilgoci węgli stosowanych do produkcji koksu w ogólnej ilości zawartych w nim alkaliów wynosi dla badanych węgli od 17.8 do 62.0%. Obecność sodu i potasu w wilgoci węgla związana jest wyłącznie z obecnością w niej jonów chlorkowych. Wyniki analizy wody odprowadzanej z procesu wirowania flotokoncentratu wskazują, że stosunek masowy Na do K w wilgoci węgla wynosi 20:1. Wzrost zawartość wilgoci w koksie będący wynikiem ich zwiększonej ilości w mieszance węglowej prowadzi do wzrostu reaktywności (wskaźnik CRI) oraz spadku wytrzymałości (wskaźnik CSR) oznaczonych metoda Nippon Steel Co.
Chemicals derived from pyrolysis bio-oils as antioxidants in fuels and lubricants
USDA-ARS?s Scientific Manuscript database
Softwood and hardwood lignins and hardwood were pyrolyzed to produce bio-oils to produce lignin-derived bio-oils of which phenols were the major component. These bio-oils were extracted with alkali to yield a range of lignin-related phenols having molecular weights (MWs) from 110 to 344. When tested...
Federal Register 2010, 2011, 2012, 2013, 2014
2013-09-18
...) emergency first aid eyewash drug products, including the components of these products, and the conditions... A. Product Overview OTC emergency first aid eyewash drug products (EE products) are typically water... emergency first aid treatment of chemical burns (including acid and alkali burns). FDA stated in the call...
Multi-quantum excitation in optically pumped alkali atom: rare gas mixtures
NASA Astrophysics Data System (ADS)
Galbally-Kinney, K. L.; Rawlins, W. T.; Davis, S. J.
2014-03-01
Diode-pumped alkali laser (DPAL) technology offers a means of achieving high-energy gas laser output through optical pumping of the D-lines of Cs, Rb, and K. The exciplex effect, based on weak attractive forces between alkali atoms and polarizable rare gas atoms (Ar, Kr, Xe), provides an alternative approach via broadband excitation of exciplex precursors (XPAL). In XPAL configurations, we have observed multi-quantum excitation within the alkali manifolds which result in infrared emission lines between 1 and 4 μm. The observed excited states include the 42FJ states of both Cs and Rb, which are well above the two-photon energy of the excitation laser in each case. We have observed fluorescence from multi-quantum states for excitation wavelengths throughout the exciplex absorption bands of Cs-Ar, Cs-Kr, and Cs-Xe. The intensity scaling is roughly first-order or less in both pump power and alkali concentration, suggesting a collisional energy pooling excitation mechanism. Collisional up-pumping appears to present a parasitic loss term for optically pumped atomic systems at high intensities, however there may also be excitation of other lasing transitions at infrared wavelengths.
Adsorption of Bromine on Gold Nanoclusters
NASA Astrophysics Data System (ADS)
Salvo, Christopher; Keagy, Josiah; Yarmoff, Jory
Small metal nanoclusters are extremely effective as catalysts, with rates that rival those of enzymes in biological systems. The first step in a catalytic reaction is the adsorption of a precursor molecule. The neutralization of alkali projectiles during low energy ion scattering (LEIS), which is acutely sensitive to the local electrostatic potential a few Å's above the surface, is used here to probe Au nanoclusters grown on SiO2 as they are reacted with Br2. Previous work had demonstrated very efficient neutralization in scattering from small catalytically active Au clusters, which was interpreted as an indication that the bare clusters are negatively charged. X-ray photoelectron spectroscopy and LEIS show little or no Br signal after exposing SiO2 and Au foil to Br2, suggesting that adsorption does not occur because the Br-Br bond does not break. Dissociative adsorption occurs rapidly, however, when small Au nanoclusters are reacted with Br2. 1.5 keV Na+ ions scattered from the Au clusters show a decrease in the neutralization probability as Br is reacted, indicating that adsorption results in charge being transferred from the cluster to the Br adatom. This material is based upon work supported by the National Science Foundation under CHE - 1611563.
Mixture modelling for cluster analysis.
McLachlan, G J; Chang, S U
2004-10-01
Cluster analysis via a finite mixture model approach is considered. With this approach to clustering, the data can be partitioned into a specified number of clusters g by first fitting a mixture model with g components. An outright clustering of the data is then obtained by assigning an observation to the component to which it has the highest estimated posterior probability of belonging; that is, the ith cluster consists of those observations assigned to the ith component (i = 1,..., g). The focus is on the use of mixtures of normal components for the cluster analysis of data that can be regarded as being continuous. But attention is also given to the case of mixed data, where the observations consist of both continuous and discrete variables.
Optical characterization of antirelaxation coatings
NASA Astrophysics Data System (ADS)
Tsvetkov, S.; Gateva, S.; Cartaleva, S.; Mariotti, E.; Nasyrov, K.
2018-03-01
Antirelaxation coatings (ARC) are used in optical cells containing alkali metal vapor to reduce the depolarization of alkali atoms after collisions with the cell walls. The long-lived ground state polarization is a basis for development of atomic clocks, magnetometers, quantum memory, slow light experiments, precision measurements of fundamental symmetries etc. In this work, a simple method for measuring the number of collisions of the alkali atoms with the cell walls without atomic spin randomization (Nasyrov et al., Proc. SPIE (2015)) was applied to characterize the AR properties of two PDMS coatings prepared from different solutions in ether (PDMS 2% and PDMS 5%). We observed influence of the light-induced atomic desorption (LIAD) on the AR properties of coatings.
Barton, J.
1954-07-27
This invention relates to an improvement in the process for the purification of caicium or magnesium containing an alkali metal as impurity, which comprises distiiling a batch of the mixture in two stages, the first stage distillation being carried out in the presence of an inert gas at an absolute pressure substantially greater than the vapor pressure of calcium or maguesium at the temperature of distillation, but less than the vaper pressure at that temperature of the alkali metal impurity so that only the alkali metal is vaporized and condensed on a condensing surface. A second stage distilso that substantially only the calcium or magnesium distills under its own vapor pressure only and condenses in solid form on a lower condensing surface.
NASA Astrophysics Data System (ADS)
Cheng, Lan; Wang, Fan; Stanton, John F.; Gauss, Jürgen
2018-01-01
A scheme is reported for the perturbative calculation of spin-orbit coupling (SOC) within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e) in combination with the equation-of-motion coupled-cluster singles and doubles method. Benchmark calculations of the spin-orbit splittings in 2Π and 2P radicals show that the accurate inclusion of scalar-relativistic effects using the SFX2C-1e scheme extends the applicability of the perturbative treatment of SOC to molecules that contain heavy elements. The contributions from relaxation of the coupled-cluster amplitudes are shown to be relatively small; significant contributions from correlating the inner-core orbitals are observed in calculations involving third-row and heavier elements. The calculation of term energies for the low-lying electronic states of the PtH radical, which serves to exemplify heavy transition-metal containing systems, further demonstrates the quality that can be achieved with the pragmatic approach presented here.
NASA Astrophysics Data System (ADS)
Makhov, D. V.; Lewis, Laurent J.
2005-05-01
The positron lifetimes for various vacancy clusters in silicon are calculated within the framework of the two-component electron-positron density functional theory. The effect of the trapped positron on the electron density and on the relaxation of the structure is investigated. Our calculations show that, contrary to the usual assumption, the positron-induced forces do not compensate in general for electronic inward forces. Thus, geometry optimization is required in order to determine positron lifetime accurately. For the monovacancy and the divacancy, the results of our calculations are in good agreement with the experimental positron lifetimes, suggesting that this approach gives good estimates of positron lifetimes for larger vacancy clusters, required for their correct identification with positron annihilation spectroscopy. As an application, our calculations show that fourfold trivacancies and symmetric fourfold tetravacancies have positron lifetimes similar to monovacancies and divacancies, respectively, and can thus be confused in the interpretation of positron annihilation experiments.
Wen-wu, Liu; Xiu-ping, Wang; Xue-yan, Tu; Chang-yong, Wang
2014-10-01
The coking wastewater generally comprises highly concentrated, recalcitrant, and toxic organic pollutants, so its treatment has been of great importance to prevent living beings and their environment from these hazardous contaminations. The treatment of pretreated coking wastewater by flocculation-coagulation, alkali out, air stripping, and three-dimensional (3-D) electrocatalytic oxidation was performed (gap between the used β-PbO2/Ti anode and titanium cathode, 12 mm; mass ratio of Cu-Mn/granular activated carbon (GAC) to effluent, 1:4; cell voltage, 7 V). The results showed that the pH adjusting from 3.7 to 6.1 was necessary for coagulants; alkali out played an important role because it brought up precipitation containing higher fatty acids as well as other contaminants to decrease the chemical oxygen demand (COD) in the effluent, and it had also forced the reduction of ammonia nitrogen (NH3-N) by incorporating with air stripping; for 3-D electrocatalytic oxidation with a bleaching liquid assisting, the initial pH 8.5 of effluent was suitable for Cu-Mn/GAC; moreover, it was considered that its Cu component was dedicated to the decrease of COD and NH3-N, while the Mn component specialized in the decay of NH3-N. The residual COD and NH3-N values in the final effluent with pH 6.5 were 95.8 and 8.8 mg/L, respectively, demonstrating that the whole processes applied were feasible and low in cost.
NASA Astrophysics Data System (ADS)
Stallone, A.; Marzocchi, W.
2017-12-01
Earthquake occurrence may be approximated by a multidimensional Poisson clustering process, where each point of the Poisson process is replaced by a cluster of points, the latter corresponding to the well-known aftershock sequence (triggered events). Earthquake clusters and their parents are assumed to occur according to a Poisson process at a constant temporal rate proportional to the tectonic strain rate, while events within a cluster are modeled as generations of dependent events reproduced by a branching process. Although the occurrence of such space-time clusters is a general feature in different tectonic settings, seismic sequences seem to have marked differences from region to region: one example, among many others, is that seismic sequences of moderate magnitude in Italian Apennines seem to last longer than similar seismic sequences in California. In this work we investigate on the existence of possible differences in the earthquake clustering process in these two areas. At first, we separate the triggered and background components of seismicity in the Italian and Southern California seismic catalog. Then we study the space-time domain of the triggered earthquakes with the aim to identify possible variations in the triggering properties across the two regions. In the second part of the work we focus our attention on the characteristics of the background seismicity in both seismic catalogs. The assumption of time stationarity of the background seismicity (which includes both cluster parents and isolated events) is still under debate. Some authors suggest that the independent component of seismicity could undergo transient perturbations at various time scales due to different physical mechanisms, such as, for example, viscoelastic relaxation, presence of fluids, non-stationary plate motion, etc, whose impact may depend on the tectonic setting. Here we test if the background seismicity in the two regions can be satisfactorily described by the time-homogeneous Poisson process, and, in case, we characterize quantitatively possible discrepancies with this reference process, and the differences between the two regions.
Search for Pulsating Stars in the Open Cluster NGC 1502
NASA Astrophysics Data System (ADS)
Stęślicki, M.
2006-04-01
We present results of a variability search in the field of the young open cluster NGC 1502. We confirm that a beta Cephei suspect WEBDA 26 is indeed pulsating with a period of 0.09612 d and semi-amplitude of about 3 mmag in V. A new VI light curve of the bright eclipsing binary and cluster member SZ Cam was obtained. In addition, we found two new variable stars. One is an interesting eclipsing binary showing total eclipses, which can be used to derive the distance to the cluster once radial velocities of the components will be obtained.
Mpc-scale diffuse radio emission in two massive cool-core clusters of galaxies
NASA Astrophysics Data System (ADS)
Sommer, Martin W.; Basu, Kaustuv; Intema, Huib; Pacaud, Florian; Bonafede, Annalisa; Babul, Arif; Bertoldi, Frank
2017-04-01
Radio haloes are diffuse synchrotron sources on scales of ˜1 Mpc that are found in merging clusters of galaxies, and are believed to be powered by electrons re-accelerated by merger-driven turbulence. We present measurements of extended radio emission on similarly large scales in two clusters of galaxies hosting cool cores: Abell 2390 and Abell 2261. The analysis is based on interferometric imaging with the Karl G. Jansky Very Large Array, Very Large Array and Giant Metrewave Radio Telescope. We present detailed radio images of the targets, subtract the compact emission components and measure the spectral indices for the diffuse components. The radio emission in A2390 extends beyond a known sloshing-like brightness discontinuity, and has a very steep in-band spectral slope at 1.5 GHz that is similar to some known ultrasteep spectrum radio haloes. The diffuse signal in A2261 is more extended than in A2390 but has lower luminosity. X-ray morphological indicators, derived from XMM-Newton X-ray data, place these clusters in the category of relaxed or regular systems, although some asymmetric features that can indicate past minor mergers are seen in the X-ray brightness images. If these two Mpc-scale radio sources are categorized as giant radio haloes, they question the common assumption of radio haloes occurring exclusively in clusters undergoing violent merging activity, in addition to commonly used criteria for distinguishing between radio haloes and minihaloes.
Dranguet, P; Cosio, C; Le Faucheur, S; Hug Peter, D; Loizeau, J-L; Ungureanu, V-Gh; Slaveykova, V I
2017-05-24
Freshwater biofilms can be useful indicators of water quality and offer the possibility to assess contaminant effects at the community level. The present field study examines the effects of chlor-alkali plant effluents on the community composition of biofilms grown in the Olt River (Romania) reservoirs. The relationship between ambient water quality variables and community composition alterations was explored. Amplicon sequencing revealed a significant modification of the composition of microalgal, bacterial and fungal communities in the biofilms collected in the impacted reservoirs in comparison with those living in the uncontaminated control reservoir. The abundance corrected Simpson index showed lower richness and diversity in biofilms collected in the impacted reservoirs than in the control reservoir. The biofilm bacterial communities of the impacted reservoirs were characterized by the contaminant-tolerant Cyanobacteria and Bacteroidetes, whereas microalgal communities were predominantly composed of Bacillariophyta and fungal communities of Lecanoromycetes and Paraglomycetes. A principal component analysis revealed that major contaminants present in the waste water of the chlor-alkali production plant, i.e. Na + , Ca 2+ , Cl - and Hg, were correlated with the alteration of biofilm community composition in the impacted reservoirs. However, the biofilm composition was also influenced by water quality variables such as NO 3 - , SO 4 2- , DOC and Zn from unknown sources. The results of the present study imply that, even when below the environmental quality standards, typical contaminants of chlor-alkali plant releases may affect biofilm composition and that their impacts on the microbial biodiversity might be currently overlooked.
Sharp, David W.
1980-01-01
In a coal gasification operation or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein solid particles containing alkali metal residues are produced, alkali metal constituents are recovered for the particles by contacting or washing them with an aqueous solution containing calcium or magnesium ions in an alkali metal recovery zone at a low temperature, preferably below about 249.degree. F. During the washing or leaching process, the calcium or magnesium ions displace alkali metal ions held by ion exchange sites in the particles thereby liberating the ions and producing an aqueous effluent containing alkali metal constituents. The aqueous effluent from the alkali metal recovery zone is then recycled to the conversion process where the alkali metal constituents serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jellison, G. E.; Aytug, T.; Lupini, A. R.
Nanostructured glass films, which are fabricated using spinodally phase-separated low-alkali glasses, have several interesting and useful characteristics, including being robust, non-wetting and antireflective. Spectroscopic ellipsometry measurements have been performed on one such film and its optical properties were analyzed using a 5-layer structural model of the near-surface region. Since the glass and the film are transparent over the spectral region of the measurement, the Sellmeier model is used to parameterize the dispersion in the refractive index. To simulate the variation of the optical properties of the film over the spot size of the ellipsometer (~ 3 × 5 mm), themore » Sellmeier amplitude is convoluted using a Gaussian distribution. The transition layers between the ambient and the film and between the film and the substrate are modeled as graded layers, where the refractive index varies as a function of depth. These layers are modeled using a two-component Bruggeman effective medium approximation where the two components are the layer above and the layer below. Lastly, the fraction is continuous through the transition layer and is modelled using the incomplete beta function.« less
Clustering of Variables for Mixed Data
NASA Astrophysics Data System (ADS)
Saracco, J.; Chavent, M.
2016-05-01
This chapter presents clustering of variables which aim is to lump together strongly related variables. The proposed approach works on a mixed data set, i.e. on a data set which contains numerical variables and categorical variables. Two algorithms of clustering of variables are described: a hierarchical clustering and a k-means type clustering. A brief description of PCAmix method (that is a principal component analysis for mixed data) is provided, since the calculus of the synthetic variables summarizing the obtained clusters of variables is based on this multivariate method. Finally, the R packages ClustOfVar and PCAmixdata are illustrated on real mixed data. The PCAmix and ClustOfVar approaches are first used for dimension reduction (step 1) before applying in step 2 a standard clustering method to obtain groups of individuals.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pei, Shi-Tu; Jiang, Shuai; Liu, Yi-Rong
2015-03-03
Although ammonium ion–water clusters are abundant in the biosphere, some information regarding these clusters, such as their growth route, the influence of temperature and humidity, and the concentrations of various hydrated clusters, is lacking. In this study, theoretical calculations are performed on ammonium ion–water clusters. These theoretical calculations are focused on determining the following characteristics: (1) the pattern of cluster growth; (2) the percentages of clusters of the same size at different temperatures and humidities; (3) the distributions of different isomers for the same size clusters at different temperatures; (4) the relative strengths of the noncovalent interactions for clusters ofmore » different sizes. The results suggest that the dipole moment may be very significant for the ammonium ion–water system, and some new stable isomers were found. The nucleation of ammonium ions and water molecules is favorable at low temperatures; thus, the clusters observed at high altitudes might not be present at low altitudes. High humidity can contribute to the formation of large ammonium ion–water clusters, whereas the formation of small clusters may be favorable under low-humidity conditions. The potential energy surfaces (PES) of these different sized clusters are complicated and differ according to the distribution of isomers at different temperatures. Some similar structures are observed between NH4+(H2O)n and M(H2O)n (where M represents an alkali metal ion or water molecule); when n = 8, the clusters begin to form the closed-cage geometry. As the cluster size increases, these interactions become progressively weaker. The successive binding energy at the DF-MP2-F12/VDZ-F12 level is better than that at the PW91PW91/6-311++G(3df, 3pd) level and is consistent with the experimentally determined values.« less
Pei, Shi-Tu; Jiang, Shuai; Liu, Yi-Rong; Huang, Teng; Xu, Kang-Ming; Wen, Hui; Zhu, Yu-Peng; Huang, Wei
2015-03-26
Although ammonium ion-water clusters are abundant in the biosphere, some information regarding these clusters, such as their growth route, the influence of temperature and humidity, and the concentrations of various hydrated clusters, is lacking. In this study, theoretical calculations are performed on ammonium ion-water clusters. These theoretical calculations are focused on determining the following characteristics: (1) the pattern of cluster growth; (2) the percentages of clusters of the same size at different temperatures and humidities; (3) the distributions of different isomers for the same size clusters at different temperatures; (4) the relative strengths of the noncovalent interactions for clusters of different sizes. The results suggest that the dipole moment may be very significant for the ammonium ion-water system, and some new stable isomers were found. The nucleation of ammonium ions and water molecules is favorable at low temperatures; thus, the clusters observed at high altitudes might not be present at low altitudes. High humidity can contribute to the formation of large ammonium ion-water clusters, whereas the formation of small clusters may be favorable under low-humidity conditions. The potential energy surfaces (PES) of these different sized clusters are complicated and differ according to the distribution of isomers at different temperatures. Some similar structures are observed between NH4(+)(H2O)n and M(H2O)n (where M represents an alkali metal ion or water molecule); when n = 8, the clusters begin to form the closed-cage geometry. As the cluster size increases, these interactions become progressively weaker. The successive binding energy at the DF-MP2-F12/VDZ-F12 level is better than that at the PW91PW91/6-311++G(3df, 3pd) level and is consistent with the experimentally determined values.
Alkali metal for ultraviolet band-pass filter
NASA Technical Reports Server (NTRS)
Mardesich, Nick (Inventor); Fraschetti, George A. (Inventor); Mccann, Timothy A. (Inventor); Mayall, Sherwood D. (Inventor); Dunn, Donald E. (Inventor); Trauger, John T. (Inventor)
1993-01-01
An alkali metal filter having a layer of metallic bismuth deposited onto the alkali metal is provided. The metallic bismuth acts to stabilize the surface of the alkali metal to prevent substantial surface migration from occurring on the alkali metal, which may degrade optical characteristics of the filter. To this end, a layer of metallic bismuth is deposited by vapor deposition over the alkali metal to a depth of approximately 5 to 10 A. A complete alkali metal filter is described along with a method for fabricating the alkali metal filter.
Polymorphism in Alkali Metal Uranyl Nitrates: Synthesis and Crystal Structure of γ-K(UO2)(NO3)3
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jouffret, Laurent J.; Krivovichev, Sergey V.; Burns, Peter C.
2011-07-20
Single crystals of γ-K(UO2)(NO3)3 were prepared from aqueous solutions by evaporation. The crystal structure [orthorhombic, Pbca (61), a = 9.2559(3) Å, b = 12.1753(3) Å, c = 15.8076(5) Å, V = 1781.41(9) Å3, Z = 8] was determined by direct methods and refined to R1 = 0.0267 on the basis of 3657 unique observed reflections. The structure is composed of isolated anionic uranyl trinitrate units, [(UO2)(NO3)3]–, that are linked through eleven-coordinated K+ cations. Both known polymorphs of K(UO2)(NO3)3 (α- and γ-phases) can be considered as based upon sheets of isolated complex [(UO2)(NO3)3]– ions separated by K+ cations. The existence ofmore » polymorphism in the two K[UO2(NO3)3] polymorphs is due to the different packing modes of uranyl trinitrate clusters that adopt the same two-dimensional but different three-dimensional arrangements.« less
Mao, Linqiang; Gao, Bingying; Deng, Ning; Liu, Lu; Cui, Hao
2016-02-01
The oxidation behavior of Cr(III) during the thermal treatment of chromium hydroxide in the presence of alkali and alkaline earth metal chlorides (NaCl, KCl, MgCl2, and CaCl2) was investigated. The amounts of Cr(III) oxidized at various temperatures and heating times were determined, and the Cr-containing species in the residues were characterized. During the transformation of chromium hydroxide to Cr2O3 at 300 °C approximately 5% of the Cr(III) was oxidized to form intermediate compounds containing Cr(VI) (i.e., CrO3), but these intermediates were reduced to Cr2O3 when the temperature was above 400 °C. Alkali and alkaline earth metals significantly promoted the oxidation of Cr(III) during the thermal drying process. Two pathways were involved in the influences the alkali and alkaline earth metals had on the formation of Cr(VI). In pathway I, the alkali and alkaline earth metals were found to act as electron transfer agents and to interfere with the dehydration process, causing more intermediate Cr(VI)-containing compounds (which were identified as being CrO3 and Cr5O12) to be formed. The reduction of intermediate compounds to Cr2O3 was also found to be hindered in pathway I. In pathway II, the alkali and alkaline earth metals were found to contribute to the oxidation of Cr(III) to form chromates. The results showed that the presence of alkali and alkaline earth metals significantly increases the degree to which Cr(III) is oxidized during the thermal drying of chromium-containing sludge. Copyright © 2015 Elsevier Ltd. All rights reserved.
Lin, Jixiang; Wang, Yingnan; Sun, Shengnan; Mu, Chunsheng; Yan, Xiufeng
2017-01-15
Leymus chinensis is the most promising grass species for salt-alkaline grassland restoration in northern China. However, little information exists concerning the role of arbuscular mycorrhizal (AM) symbiosis in the adaptation of seedlings to salt-alkali stress, particularly under increased nitrogen deposition, which has become a major environmental problem throughout the world. In this study, Leymus chinensis seedlings were cultivated in soil with 0, 100 and 200mM NaCl/NaHCO 3 under two forms of nitrogen (10mM NH 4 NO 3 or NH 4 Cl: NH 4 NO 3 =3:1), and the root colonization, growth and photosynthetic characteristics of the seedlings were measured. The results showed that the colonization rate and intensity decreased with increasing salt-alkali stress and were much lower under alkali stress. The nitrogen treatments also decreased the colonization, particularly under the NH 4 + -N treatment. Compared with the non-mycorrhizal controls, mycorrhizal seedlings generally presented higher plant biomass, photosynthetic parameters and contents of photosynthetic pigments under stresses, and the inhibitive effects of alkali stress were substantially stronger. In addition, both nitrogen forms decreased the physiological indexes compared with those of the AM seedlings. Our results suggest that salt stress and alkali stress are significantly different and that the salt-alkali tolerance of Leymus chinensis seedlings could be enhanced by associations with arbuscular mycorrhizal fungi, in which would yield better plant growth and photosynthesis. Excessive nitrogen in the soil affects mycorrhizal colonization and thereby inhibits the growth and photosynthetic ability of the seedlings. Copyright © 2016 Elsevier B.V. All rights reserved.
[Deep alkali burns: Evaluation of a two-step surgical strategy].
Devinck, F; Deveaux, C; Bennis, Y; Deken-Delannoy, V; Jeanne, M; Martinot-Duquennoy, V; Guerreschi, P; Pasquesoone, L
2018-04-10
Chemical burns are rare but often lead to deep cutaneous lesions. Alkali agents have a deep and long lasting penetrating power, causing burns that evolve over several days. The local treatment for these patients is excision of the wound and split thickness skin graft. Early excision and immediate skin grafting of alkali burns are more likely to be complicated by graft failure and delayed wound healing. We propose a two-step method that delays skin grafting until two-three days after burn wound excision. Our population included 25 controls and 16 cases. Men were predominant with a mean age of 41.9 years. In 78% of cases, burns were located on the lower limbs. The mean delay between the burn and excision was 16.5 days. In cases, the skin graft was performed at a mean of 11.3 days after the initial excision. We did not unveil any significant difference between both groups for the total skin surface affected, topography of the burns and the causal agent. Wound healing was significantly shorter in cases vs controls (37.5 days vs 50.3 days; P<0.025). Furthermore, we observed a decreased number of graft failures in cases vs controls (13.3% vs 46.7%; P=0.059). Our study shows the relevance of a two-step surgical strategy in patients with alkali chemical burns. Early excision followed by interval skin grafting is associated with quicker wound healing and decreased rate of graft failure. Copyright © 2018 Elsevier Masson SAS. All rights reserved.
NASA Astrophysics Data System (ADS)
Kaneko, Tomoaki; Saito, Riichiro
2017-11-01
Energetics and electronic structures of alkali metal (Li, Na, K, Rb, and Cs) and alkaline earth metal (Be, Mg, Ca, Sr, and Ba) atoms intercalated bilayer graphene are systematically investigated using first-principles calculations based on density functional theory. Formation of alkali and alkaline earth metal atoms intercalated bilayer graphene is exothermic except for Be and Mg. The interlayer state between two graphene layers is occupied for K, Rb, Cs, Ca, Sr, and Ba. We find that the energetic position of the interlayer states between bilayer graphene monotonically shifts downward with increasing of interlayer distance. The interlayer distances of more than 4.5 Å and 4.0 Å, respectively, are necessary for the occupation of the interlayer state in bilayer graphene for alkali and alkaline earth metal atoms, which is almost independent of the intercalant metal species. We discuss the relevance to occurrence of superconductivity for the metal intercalated bilayer graphene in terms of the occupation of the interlayer state and the phonon frequency of metal ions.
Chiesa, S; Gnansounou, E
2014-05-01
In the present work, two pretreatment techniques using either dilute acid (H2SO4) or dilute alkali (NaOH) have been compared for producing bioethanol from Empty Fruit Bunches (EFBs) from oil palm tree, a relevant feedstock for tropical countries. Treatments' performances under different conditions have been assessed and statistically optimized with respect to the response upon standardized enzymatic saccharification. The dilute acid treatment performed at optimal conditions (161.5°C, 9.44 min and 1.51% acid loading) gave 85.5% glucose yield, comparable to those of other commonly investigated feedstocks. Besides, the possibility of using fibers instead of finely ground biomass may be of economic interest. Oppositely, treatment with dilute alkali has shown lower performances under the conditions explored, most likely given the relatively significant lignin content, suggesting that the use of stronger alkali regime (with the associated drawbacks) is unavoidable to improve the performance of this treatment. Copyright © 2014 Elsevier Ltd. All rights reserved.
Modifier constraint in alkali borophosphate glasses using topological constraint theory
NASA Astrophysics Data System (ADS)
Li, Xiang; Zeng, Huidan; Jiang, Qi; Zhao, Donghui; Chen, Guorong; Wang, Zhaofeng; Sun, Luyi; Chen, Jianding
2016-12-01
In recent years, composition-dependent properties of glasses have been successfully predicted using the topological constraint theory. The constraints of the glass network are derived from two main parts: network formers and network modifiers. The constraints of the network formers can be calculated on the basis of the topological structure of the glass. However, the latter cannot be accurately calculated in this way, because of the existing of ionic bonds. In this paper, the constraints of the modifier ions in phosphate glasses were thoroughly investigated using the topological constraint theory. The results show that the constraints of the modifier ions are gradually increased with the addition of alkali oxides. Furthermore, an improved topological constraint theory for borophosphate glasses is proposed by taking the composition-dependent constraints of the network modifiers into consideration. The proposed theory is subsequently evaluated by analyzing the composition dependence of the glass transition temperature in alkali borophosphate glasses. This method is supposed to be extended to other similar glass systems containing alkali ions.
Yamaguchi-Kabata, Yumi; Tsunoda, Tatsuhiko; Kumasaka, Natsuhiko; Takahashi, Atsushi; Hosono, Naoya; Kubo, Michiaki; Nakamura, Yusuke; Kamatani, Naoyuki
2012-05-01
Although the Japanese population has a rather low genetic diversity, we recently confirmed the presence of two main clusters (the Hondo and Ryukyu clusters) through principal component analysis of genome-wide single-nucleotide polymorphism (SNP) genotypes. Understanding the genetic differences between the two main clusters requires further genome-wide analyses based on a dense SNP set and comparison of haplotype frequencies. In the present study, we determined haplotypes for the Hondo cluster of the Japanese population by detecting SNP homozygotes with 388,591 autosomal SNPs from 18,379 individuals and estimated the haplotype frequencies. Haplotypes for the Ryukyu cluster were inferred by a statistical approach using the genotype data from 504 individuals. We then compared the haplotype frequencies between the Hondo and Ryukyu clusters. In most genomic regions, the haplotype frequencies in the Hondo and Ryukyu clusters were very similar. However, in addition to the human leukocyte antigen region on chromosome 6, other genomic regions (chromosomes 3, 4, 5, 7, 10 and 12) showed dissimilarities in haplotype frequency. These regions were enriched for genes involved in the immune system, cell-cell adhesion and the intracellular signaling cascade. These differentiated genomic regions between the Hondo and Ryukyu clusters are of interest because they (1) should be examined carefully in association studies and (2) likely contain genes responsible for morphological or physiological differences between the two groups.
Improved Heat-of-Fusion Energy Storage
NASA Technical Reports Server (NTRS)
Chen, K. H.; Manvi, R.
1982-01-01
Alkali metal/alkali-halide mixtures proposed for preventing solid buildup during energy recovery. When mixture melts (by absorption of heat of fusion), it forms two immiscible liquids. Salt-rich phase is heavier and has higher melting/recrysallization temperature; so during energy recovery salt crystallizes in this phase first. Since heat exchanger for energy recovery is in lighter metal-rich phase, solids do not form and there is no reduction of heat-recovery efficiency.
The complex star cluster system of NGC 1316 (Fornax A)
NASA Astrophysics Data System (ADS)
Sesto, Leandro A.; Faifer, Favio R.; Forte, Juan C.
2016-10-01
This paper presents Gemini-gri' high-quality photometry for cluster candidates in the field of NGC 1316 (Fornax A) as part of a study that also includes GMOS spectroscopy. A preliminary discussion of the photometric data indicates the presence of four stellar cluster populations with distinctive features in terms of age, chemical abundance and spatial distribution. Two of them seem to be the usually old (metal poor and metal rich) populations typically found in elliptical galaxies. In turn, an intermediate-age (5 Gyr) globular cluster population is the dominant component of the sample (as reported by previous papers). We also find a younger cluster population with a tentative age of ≈ 1 Gyr.
Alkali metal recovery from carbonaceous material conversion process
Sharp, David W.; Clavenna, LeRoy R.; Gorbaty, Martin L.; Tsou, Joe M.
1980-01-01
In a coal gasification operation or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein solid particles containing alkali metal residues are produced in the gasifier or similar reaction zone, alkali metal constitutents are recovered from the particles by withdrawing and passing the particles from the reaction zone to an alkali metal recovery zone in the substantial absence of molecular oxygen and treating the particles in the recovery zone with water or an aqueous solution in the substantial absence of molecular oxygen. The solution formed by treating the particles in the recovery zone will contain water-soluble alkali metal constituents and is recycled to the conversion process where the alkali metal constituents serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst. Preventing contact of the particles with oxygen as they are withdrawn from the reaction zone and during treatment in the recovery zone avoids the formation of undesirable alkali metal constituents in the aqueous solution produced in the recovery zone and insures maximum recovery of water-soluble alkali metal constituents from the alkali metal residues.
Ratnakaram, Y C; Srihari, N V; Kumar, A Vijaya; Naidu, D Thirupathi; Chakradhar, R P S
2009-02-01
Spectroscopic investigations were performed on 68NH(4)H(2)PO(4).xLi(2)CO(3)(30-x)K(2)CO(3) and 68NH(4)H(2)PO(4).xNa(2)CO(3)(30-x)K(2)CO(3) (where x=5, 10, 15, 20 and 25) glasses containing 2 mol% Nd(2)O(3). Various spectroscopic parameters (Racah (E(1), E(2), E(3)), spin-orbit (xi(4f)) and configuration interaction (alpha)) are reported. Judd-Ofelt intensity parameters (Omega(2), Omega(4), Omega(6)) are calculated for Nd(3+) doped two mixed alkali phosphate glass matrices. From the magnitude of Judd-Ofelt parameters, covalency is studied as a function of x in the glass matrix. Using Judd-Ofelt intensity parameters, total radiative transition probabilities (A(T)), radiative lifetimes (tau(R)), branching ratios (beta) and integrated absorption cross sections (Sigma) have been computed for certain excited states of Nd(3+) in these mixed alkali phosphate glasses. Emission cross sections (sigma(P)) are calculated for the two transitions, (4)G(7/2)-->(4)I(11/2) and (4)G(7/2)-->(4)I(13/2) of Nd(3+) in these mixed alkali phosphate glasses. Optical band gaps (E(opt)) for direct and indirect transitions are reported.
Amro, Amin; Waldum, Bård; von der Lippe, Nanna; Brekke, Fredrik Barth; Dammen, Toril; Miaskowski, Christine; Os, Ingrid
2015-01-01
Patients with end-stage renal disease on dialysis have reduced survival rates compared with the general population. Symptoms are frequent in dialysis patients, and a symptom cluster is defined as two or more related co-occurring symptoms. The aim of this study was to explore the associations between symptom clusters and mortality in dialysis patients. In a prospective observational cohort study of dialysis patients (n = 301), Kidney Disease and Quality of Life Short Form and Beck Depression Inventory questionnaires were administered. To generate symptom clusters, principal component analysis with varimax rotation was used on 11 kidney-specific self-reported physical symptoms. A Beck Depression Inventory score of 16 or greater was defined as clinically significant depressive symptoms. Physical and mental component summary scores were generated from Short Form-36. Multivariate Cox regression analysis was used for the survival analysis, Kaplan-Meier curves and log-rank statistics were applied to compare survival rates between the groups. Three different symptom clusters were identified; one included loading of several uremic symptoms. In multivariate analyses and after adjustment for health-related quality of life and depressive symptoms, the worst perceived quartile of the "uremic" symptom cluster independently predicted all-cause mortality (hazard ratio 2.47, 95% CI 1.44-4.22, P = 0.001) compared with the other quartiles during a follow-up period that ranged from four to 52 months. The two other symptom clusters ("neuromuscular" and "skin") or the individual symptoms did not predict mortality. Clustering of uremic symptoms predicted mortality. Assessing co-occurring symptoms rather than single symptoms may help to identify dialysis patients at high risk for mortality. Copyright © 2015 American Academy of Hospice and Palliative Medicine. Published by Elsevier Inc. All rights reserved.
NASA Technical Reports Server (NTRS)
Angel, Paul W.; Hann, Raiford E.; Cooper, Alfred R.
1993-01-01
Electrical response measurements from 10 Hz to 100 kHz between 120 and 540 C were made on potassium-silicate glasses with alkali oxide contents of 2, 3, 5 and 10 mol percent. Low alkali content glasses were chosen in order to try to reduce the Coulombic interactions between alkali ions to the point that frozen structural effects from the glass could be observed. Conductivity and electrical relaxation responses for both annealed and quenched glasses of the same composition were compared. Lower DC conductivity (sigma(sub DC)) activation energies were measured for the quenched compared to the annealed glasses. The two glasses with the lowest alkali contents exhibited a non-Arrhenius concave up curvature in the log(sigma(sub DC)) against 1/T plots, which decreased upon quenching. A sharp decrease in sigma(sub DC) was observed for glasses containing K2O concentrations of 5 mol percent or less. The log modulus loss peak (M'') maximum frequency plots against 1/T all showed Arrhenius behavior for both annealed and quenched samples. The activation energies for these plots closely agreed with the sigma(sub DC) activation energies. A sharp increase in activation energy was observed for both series as the potassium oxide concentration decreased. Changes in the electrical response are attributed to structural effects due to different alkali concentrations. Differences between the annealed and quenched response are linked to a change in the distribution of activation energies (DAE).
Alkali-silica reactivity of expanded glass granules in structure of lightweight concrete
NASA Astrophysics Data System (ADS)
Bumanis, G.; Bajare, D.; Locs, J.; Korjakins, A.
2013-12-01
Main component in the lightweight concrete, which provides its properties, is aggregate. A lot of investigations on alkali silica reaction (ASR) between cement and lightweight aggregates have been done with their results published in the academic literature. Whereas expanded glass granules, which is relatively new product in the market of building materials, has not been a frequent research object. Therefore lightweight granules made from waste glass and eight types of cement with different chemical and mineralogical composition were examined in this research. Expanded glass granules used in this research is commercially available material produced by Penostek. Lightweight concrete mixtures were prepared by using commercial chemical additives to improve workability of concrete. The aim of the study is to identify effect of cement composition to the ASR reaction which occurs between expanded glass granules and binder. Expanded glass granules mechanical and physical properties were determined. In addition, properties of fresh and hardened concrete were determined. The ASR test was processed according to RILEM AAR-2 testing recommendation. Tests with scanning electron microscope and microstructural investigations were performed for expanded glass granules and hardened concrete specimens before and after exposing them in alkali solution.
Optimization of Refining Craft for Vegetable Insulating Oil
NASA Astrophysics Data System (ADS)
Zhou, Zhu-Jun; Hu, Ting; Cheng, Lin; Tian, Kai; Wang, Xuan; Yang, Jun; Kong, Hai-Yang; Fang, Fu-Xin; Qian, Hang; Fu, Guang-Pan
2016-05-01
Vegetable insulating oil because of its environmental friendliness are considered as ideal material instead of mineral oil used for the insulation and the cooling of the transformer. The main steps of traditional refining process included alkali refining, bleaching and distillation. This kind of refining process used in small doses of insulating oil refining can get satisfactory effect, but can't be applied to the large capacity reaction kettle. This paper using rapeseed oil as crude oil, and the refining process has been optimized for large capacity reaction kettle. The optimized refining process increases the acid degumming process. The alkali compound adds the sodium silicate composition in the alkali refining process, and the ratio of each component is optimized. Add the amount of activated clay and activated carbon according to 10:1 proportion in the de-colorization process, which can effectively reduce the oil acid value and dielectric loss. Using vacuum pumping gas instead of distillation process can further reduce the acid value. Compared some part of the performance parameters of refined oil products with mineral insulating oil, the dielectric loss of vegetable insulating oil is still high and some measures are needed to take to further optimize in the future.
Rydberg-Ritz analysis and quantum defects for Rb and Cs atoms on helium nanodroplets
NASA Astrophysics Data System (ADS)
Lackner, Florian; Krois, Günter; Ernst, Wolfgang E.
2013-08-01
A Rydberg-Ritz approach is used for the interpretation of Rb-He? and Cs-He? Rydberg states and Rydberg series. Variations of the quantum defects within a Rydberg series give insight into the interaction between the alkali atom's valence electron and the superfluid helium droplet. A screening of the valence electron from the alkali atom core by the helium droplet is observed for high Rydberg states. For states with lower principal quantum number, the effect decreases and the quantum defects are found to lie closer to free atom values, indicating an increased probability for the electron to be found inside the alkali atom core. An investigation of the spin-orbit splitting of the Cs-He? nP(2Π) components reveals that the splitting of the lowest 2Π states is more atom-like [Hund's case (c) coupling] than at higher n states [Hund's case (a) coupling]. In addition, we report a detailed study of the droplet size dependence of Ak-He? Rydberg series on the example of the Rb-He? D(Δ) series. Higher Rydberg states of this series are strongly redshifted, which is also related to the screening effect.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Charkin, Dmitri O.; Black, Cameron; Downie, Lewis J.
Two new rare-earth – alkali – tellurium oxide halides were synthesized by a salt flux technique and characterized by single-crystal X-ray diffraction. The structures of the new compounds Cs{sub 7}Sm{sub 11}[TeO{sub 3}]{sub 12}Cl{sub 16} (I) and Rb{sub 7}Nd{sub 11}[TeO{sub 3}]{sub 12}Br{sub 16} (II) (both tetragonal, space group I4/mcm) correspond to the sequence of [MLn{sub 11}(TeO{sub 3}){sub 12}] and [M{sub 6}X{sub 16}] layers and bear very strong similarities to those of known selenite analogs. We discuss the trends in similarities and differences in compositions and structural details between the Se and Te compounds; more members of the family are predicted. -more » Graphical abstract: Two new rare-earth – alkali – tellurium oxide halides were predicted and synthesized. - Highlights: • Two new rare-earth – alkali – tellurium oxide halides were synthesized. • They adopt slab structure of rare earth-tellurium-oxygen and CsCl-like slabs. • The Br-based CsCl-like slabs have been observed first in this layered family.« less
Surowiec, Malgorzata A.; Custelcean, Radu; Surowiec, Kazimierz; ...
2014-04-23
Alkali metal cation extraction behavior for two series of 1,3-alternate, mono-ionizable calix[4]arene-benzocrown-6 compounds is examined. In Series 1, the proton-ionizable group is a substituent on the benzo group of the polyether ring that directs it away from the crown ether cavity. In Series 2, the proton-ionizable group is attached to one para position in the calixarene framework, thus positioning it over the crown ether ring. Competitive solvent extraction of alkali metal cations from aqueous solutions into chloroform shows high Cs+ efficiency and selectivity. Single-species extraction pH profiles of Cs+ for Series 1 and 2 ligands with the same proton-ionizable groupmore » are very similar. Thus, association of Cs+ with the calixcrown ring is more important than the the proton-ionizable group’s position in relation to the crown ether cavity. Solid-state structures are presented for two unionized ligands from Series 2, as is a crystal containing two different ionized ligand–Cs+ complexes.« less
Associations Between Adiposity and Metabolic Syndrome Over Time: The Healthy Twin Study.
Song, Yun-Mi; Sung, Joohon; Lee, Kayoung
2017-04-01
We evaluated the association between changes in adiposity traits including anthropometric and fat mass indicators and changes in metabolic syndrome traits including metabolic syndrome clustering and individual components over time. We also assessed the shared genetic and environmental correlations between the two traits. Participants were 284 South Korean twin individuals and 279 nontwin family members had complete data for changes in adiposity traits and metabolic syndrome traits of the Healthy Twin study. Mixed linear model and bivariate variance-component analysis were applied. Over a period of 3.1 ± 0.6 years of study, changes in adiposity traits [body mass index (BMI), waist circumference, total fat mass, and fat mass to lean mass ratio] had significant associations with changes in metabolic syndrome clustering [high blood pressure, high serum glucose, high triglycerides (TG), and low high-density lipoprotein cholesterol] after adjusting for intra-familial and sibling correlations, age, sex, baseline metabolic syndrome clustering, and socioeconomic factors and health behaviors at follow-up. Change in BMI associated significantly with changes in individual metabolic syndrome components compared to other adiposity traits. Change in metabolic syndrome component TG was a better predictor of changes in adiposity traits compared to changes in other metabolic components. These associations were explained by significant environmental correlations but not by genetic correlations. Changes in anthropometric and fat mass indicators were positively associated with changes in metabolic syndrome clustering and those associations appeared to be regulated by environmental influences.
Dark energy domination in the Virgocentric flow
NASA Astrophysics Data System (ADS)
Chernin, A. D.; Karachentsev, I. D.; Nasonova, O. G.; Teerikorpi, P.; Valtonen, M. J.; Dolgachev, V. P.; Domozhilova, L. M.; Byrd, G. G.
2010-09-01
Context. The standard ΛCDM cosmological model implies that all celestial bodies are embedded in a perfectly uniform dark energy background, represented by Einstein's cosmological constant, and experience its repulsive antigravity action. Aims: Can dark energy have strong dynamical effects on small cosmic scales as well as globally? Continuing our efforts to clarify this question, we now focus on the Virgo Cluster and the flow of expansion around it. Methods: We interpret the Hubble diagram from a new database of velocities and distances of galaxies in the cluster and its environment, using a nonlinear analytical model, which incorporates the antigravity force in terms of Newtonian mechanics. The key parameter is the zero-gravity radius, the distance at which gravity and antigravity are in balance. Results: 1. The interplay between the gravity of the cluster and the antigravity of the dark energy background determines the kinematical structure of the system and controls its evolution. 2. The gravity dominates the quasi-stationary bound cluster, while the antigravity controls the Virgocentric flow, bringing order and regularity to the flow, which reaches linearity and the global Hubble rate at distances ⪆15 Mpc. 3. The cluster and the flow form a system similar to the Local Group and its outflow. In the velocity-distance diagram, the cluster-flow structure reproduces the group-flow structure with a scaling factor of about 10; the zero-gravity radius for the cluster system is also 10 times larger. Conclusions: The phase and dynamical similarity of the systems on the scales of 1-30 Mpc suggests that a two-component pattern may be universal for groups and clusters: a quasi-stationary bound central component and an expanding outflow around it, caused by the nonlinear gravity-antigravity interplay with the dark energy dominating in the flow component.
The globular cluster NGC 7492 and the Sagittarius tidal stream: together but unmixed
NASA Astrophysics Data System (ADS)
Carballo-Bello, J. A.; Corral-Santana, J. M.; Catelan, M.; Martínez-Delgado, D.; Muñoz, R. R.; Sollima, A.; Navarrete, C.; Duffau, S.; Côté, P.; Mora, M. D.
2018-03-01
We have derived from VIMOS spectroscopy the radial velocities for a sample of 71 stars selected from CFHT/Megacam photometry around the Galactic globular cluster NGC 7492. In the resulting velocity distribution, it is possible to distinguish two relevant non-Galactic kinematic components along the same line of sight: a group of stars at 〈vr〉 ˜ 125 km s-1 which is compatible with the velocity of the old leading arm of the Sagittarius tidal stream, and a larger number of objects at 〈vr〉 ˜ -110 km s-1 that might be identified as members of the trailing wrap of the same stream. The systemic velocity of NGC 7492 set at vr ˜ -177 km s-1 differs significantly from that of both components, thus our results confirm that this cluster is not one of the globular clusters deposited by the Sagittarius dwarf spheroidal in the Galactic halo, even if it is immersed in the stream. A group of stars with 〈vr〉 ˜ - 180 km s-1 might be comprised of cluster members along one of the tidal tails of NGC 7492.
EXTINGUISHMENT OF ALKALI METAL FIRES
low O2 partial pressures on alkali metal fires Extinguishment of alkali metal fires using in organic salt mixtures Extinguishment of alkali metal ... fires using inorganic salt foams Alkali metal jet stream ignition at various pressure conditions Bibliography
Dos Santos, Patricia C; Johnson, Deborah C; Ragle, Brook E; Unciuleac, Mihaela-Carmen; Dean, Dennis R
2007-04-01
The nitrogen-fixing organism Azotobacter vinelandii contains at least two systems that catalyze formation of [Fe-S] clusters. One of these systems is encoded by nif genes, whose products supply [Fe-S] clusters required for maturation of nitrogenase. The other system is encoded by isc genes, whose products are required for maturation of [Fe-S] proteins that participate in general metabolic processes. The two systems are similar in that they include an enzyme for the mobilization of sulfur (NifS or IscS) and an assembly scaffold (NifU or IscU) upon which [Fe-S] clusters are formed. Normal cellular levels of the Nif system, which supplies [Fe-S] clusters for the maturation of nitrogenase, cannot also supply [Fe-S] clusters for the maturation of other cellular [Fe-S] proteins. Conversely, when produced at the normal physiological levels, the Isc system cannot supply [Fe-S] clusters for the maturation of nitrogenase. In the present work we found that such target specificity for IscU can be overcome by elevated production of NifU. We also found that NifU, when expressed at normal levels, is able to partially replace the function of IscU if cells are cultured under low-oxygen-availability conditions. In contrast to the situation with IscU, we could not establish conditions in which the function of IscS could be replaced by NifS. We also found that elevated expression of the Isc components, as a result of deletion of the regulatory iscR gene, improved the capacity for nitrogen-fixing growth of strains deficient in either NifU or NifS.
A {sup 13}CO Detection in a Brightest Cluster Galaxy
DOE Office of Scientific and Technical Information (OSTI.GOV)
Vantyghem, A. N.; McNamara, B. R.; Hogan, M. T.
We present ALMA Cycle 4 observations of CO(1-0), CO(3-2), and {sup 13}CO(3-2) line emission in the brightest cluster galaxy (BCG) of RXJ0821+0752. This is one of the first detections of {sup 13}CO line emission in a galaxy cluster. Half of the CO(3-2) line emission originates from two clumps of molecular gas that are spatially offset from the galactic center. These clumps are surrounded by diffuse emission that extends 8 kpc in length. The detected {sup 13}CO emission is confined entirely to the two bright clumps, with any emission outside of this region lying below our detection threshold. Two distinct velocitymore » components with similar integrated fluxes are detected in the {sup 12}CO spectra. The narrower component (60 km s{sup −1} FWHM) is consistent in both velocity centroid and linewidth with {sup 13}CO(3-2) emission, while the broader (130–160 km s{sup −1}), slightly blueshifted wing has no associated {sup 13}CO(3-2) emission. A simple local thermodynamic model indicates that the {sup 13}CO emission traces 2.1 × 10{sup 9} M {sub ⊙} of molecular gas. Isolating the {sup 12}CO velocity component that accompanies the {sup 13}CO emission yields a CO-to-H{sub 2} conversion factor of α {sub CO} = 2.3 M {sub ⊙} (K km s{sup −1}){sup −1}, which is a factor of two lower than the Galactic value. Adopting the Galactic CO-to-H{sub 2} conversion factor in BCGs may therefore overestimate their molecular gas masses by a factor of two. This is within the object-to-object scatter from extragalactic sources, so calibrations in a larger sample of clusters are necessary in order to confirm a sub-Galactic conversion factor.« less
Molecular reclassification of Crohn's disease: a cautionary note on population stratification.
Maus, Bärbel; Jung, Camille; Mahachie John, Jestinah M; Hugot, Jean-Pierre; Génin, Emmanuelle; Van Steen, Kristel
2013-01-01
Complex human diseases commonly differ in their phenotypic characteristics, e.g., Crohn's disease (CD) patients are heterogeneous with regard to disease location and disease extent. The genetic susceptibility to Crohn's disease is widely acknowledged and has been demonstrated by identification of over 100 CD associated genetic loci. However, relating CD subphenotypes to disease susceptible loci has proven to be a difficult task. In this paper we discuss the use of cluster analysis on genetic markers to identify genetic-based subgroups while taking into account possible confounding by population stratification. We show that it is highly relevant to consider the confounding nature of population stratification in order to avoid that detected clusters are strongly related to population groups instead of disease-specific groups. Therefore, we explain the use of principal components to correct for population stratification while clustering affected individuals into genetic-based subgroups. The principal components are obtained using 30 ancestry informative markers (AIM), and the first two PCs are determined to discriminate between continental origins of the affected individuals. Genotypes on 51 CD associated single nucleotide polymorphisms (SNPs) are used to perform latent class analysis, hierarchical and Partitioning Around Medoids (PAM) cluster analysis within a sample of affected individuals with and without the use of principal components to adjust for population stratification. It is seen that without correction for population stratification clusters seem to be influenced by population stratification while with correction clusters are unrelated to continental origin of individuals.
Molecular Reclassification of Crohn’s Disease: A Cautionary Note on Population Stratification
Maus, Bärbel; Jung, Camille; Mahachie John, Jestinah M.; Hugot, Jean-Pierre; Génin, Emmanuelle; Van Steen, Kristel
2013-01-01
Complex human diseases commonly differ in their phenotypic characteristics, e.g., Crohn’s disease (CD) patients are heterogeneous with regard to disease location and disease extent. The genetic susceptibility to Crohn’s disease is widely acknowledged and has been demonstrated by identification of over 100 CD associated genetic loci. However, relating CD subphenotypes to disease susceptible loci has proven to be a difficult task. In this paper we discuss the use of cluster analysis on genetic markers to identify genetic-based subgroups while taking into account possible confounding by population stratification. We show that it is highly relevant to consider the confounding nature of population stratification in order to avoid that detected clusters are strongly related to population groups instead of disease-specific groups. Therefore, we explain the use of principal components to correct for population stratification while clustering affected individuals into genetic-based subgroups. The principal components are obtained using 30 ancestry informative markers (AIM), and the first two PCs are determined to discriminate between continental origins of the affected individuals. Genotypes on 51 CD associated single nucleotide polymorphisms (SNPs) are used to perform latent class analysis, hierarchical and Partitioning Around Medoids (PAM) cluster analysis within a sample of affected individuals with and without the use of principal components to adjust for population stratification. It is seen that without correction for population stratification clusters seem to be influenced by population stratification while with correction clusters are unrelated to continental origin of individuals. PMID:24147066
Carboxymethylhydroxyethyl cellulose in drilling, workover and completion fluids
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sauber, C. A.
Certain carboxymethylhydroxyethyl cellulose (CMHEC) solutions in waters of various salinities are gelled by dichromate ion at a pH of about 5 or less, thus forming a drilling fluid or component thereof. In an embodiment a CMHEC water solution is gelled using an alkali metal dichromate, e.g., Na2Cr2O7.2H2O.
Refractories for high alkali environments
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rau, A.W.; Cloer, F.
1996-12-31
Information on refractories for high alkali environments is outlined. Information is presented on: product gallery; alkali attack; chemical reactions; basic layout of alkali cup test; criteria for rating alkali cup test samples; and basic layout of physical properties test.
Khamis, Fathiya M.; Masiga, Daniel K.; Mohamed, Samira A.; Salifu, Daisy; de Meyer, Marc; Ekesi, Sunday
2012-01-01
In 2003, a new fruit fly pest species was recorded for the first time in Kenya and has subsequently been found in 28 countries across tropical Africa. The insect was described as Bactrocera invadens, due to its rapid invasion of the African continent. In this study, the morphometry and DNA Barcoding of different populations of B. invadens distributed across the species range of tropical Africa and a sample from the pest's putative aboriginal home of Sri Lanka was investigated. Morphometry using wing veins and tibia length was used to separate B. invadens populations from other closely related Bactrocera species. The Principal component analysis yielded 15 components which correspond to the 15 morphometric measurements. The first two principal axes contributed to 90.7% of the total variance and showed partial separation of these populations. Canonical discriminant analysis indicated that only the first five canonical variates were statistically significant. The first two canonical variates contributed a total of 80.9% of the total variance clustering B. invadens with other members of the B. dorsalis complex while distinctly separating B. correcta, B. cucurbitae, B. oleae and B. zonata. The largest Mahalanobis squared distance (D2 = 122.9) was found to be between B. cucurbitae and B. zonata, while the lowest was observed between B. invadens populations against B. kandiensis (8.1) and against B. dorsalis s.s (11.4). Evolutionary history inferred by the Neighbor-Joining method clustered the Bactrocera species populations into four clusters. First cluster consisted of the B. dorsalis complex (B. invadens, B. kandiensis and B. dorsalis s. s.), branching from the same node while the second group was paraphyletic clades of B. correcta and B. zonata. The last two are monophyletic clades, consisting of B. cucurbitae and B. oleae, respectively. Principal component analysis using the genetic distances confirmed the clustering inferred by the NJ tree. PMID:23028649
DOE Office of Scientific and Technical Information (OSTI.GOV)
Grande-Aztatzi, Rafael; Formoso, Elena; Matxain, Jon M.
The structural and optical properties of both the naked and passivated bimetallic Al{sub 5}Au{sub 5} nanoclusters have been analyzed based on data obtained from ab initio density functional theory and quantum molecular dynamics simulations. It has been found that the Al{sub 5}Au{sub 5} nanocluster possesses a hollow shaped minimum energy structure with segregated Al and Au layered domains, the former representing the electrophilic domain and the latter the nucleophilic domain. In particular, it has been shown that alkali metal cations attach in the nucleophilic domain and hop from one Au site to the next one in the picoseconds time scale,more » while anions are bound tightly to the Al atoms of the electrophilic domain. Simulating annealing studies are very suggestive of the proneness of the nanocluster towards coalescence into large cluster units, when the cluster is left unprotected by appropriate ligands. Further passivation studies with NaF salt suggest, nonetheless, the possibility of the isolation of the Al{sub 5}Au{sub 5} cluster in molten salts or ionic liquids.« less
Two-component vector solitons in defocusing Kerr-type media with spatially modulated nonlinearity
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhong, Wei-Ping, E-mail: zhongwp6@126.com; Texas A and M University at Qatar, P.O. Box 23874 Doha; Belić, Milivoj
2014-12-15
We present a class of exact solutions to the coupled (2+1)-dimensional nonlinear Schrödinger equation with spatially modulated nonlinearity and a special external potential, which describe the evolution of two-component vector solitons in defocusing Kerr-type media. We find a robust soliton solution, constructed with the help of Whittaker functions. For specific choices of the topological charge, the radial mode number and the modulation depth, the solitons may exist in various forms, such as the half-moon, necklace-ring, and sawtooth vortex-ring patterns. Our results show that the profile of such solitons can be effectively controlled by the topological charge, the radial mode number,more » and the modulation depth. - Highlights: • Two-component vector soliton clusters in defocusing Kerr-type media are reported. • These soliton clusters are constructed with the help of Whittaker functions. • The half-moon, necklace-ring and vortex-ring patterns are found. • The profile of these solitons can be effectively controlled by three soliton parameters.« less
ERIC Educational Resources Information Center
Heiser, Willem J.; And Others
1997-01-01
The least squares loss function of cluster differences scaling, originally defined only on residuals of pairs allocated to different clusters, is extended with a loss component for pairs allocated to the same cluster. Findings show that this makes the method equivalent to multidimensional scaling with cluster constraints on the coordinates. (SLD)
Zhang, Yaobin; Feng, Yinghong; Quan, Xie
2015-04-01
Heat or alkali pretreatment is the effective method to improve hydrolysis of waste sludge and then enhance anaerobic sludge digestion. However the pretreatment may inactivate the methanogens in the sludge. In the present work, zero-valent iron (ZVI) was used to enhance the methanogenic activity in anaerobic sludge digester under two methanogens-suppressing conditions, i.e. heat-pretreatment and alkali condition respectively. With the addition of ZVI, the lag time of methane production was shortened, and the methane yield increased by 91.5% compared to the control group. The consumption of VFA was accelerated by ZVI, especially for acetate, indicating that the acetoclastic methanogenesis was enhanced. In the alkali-condition experiment, the hydrogen produced decreased from 27.6 to 18.8 mL when increasing the ZVI dosage from 0 to 10 g/L. Correspondingly, the methane yield increased from 1.9 to 32.2 mL, which meant that the H2-utilizing methanogenes was enriched. These results suggested that the addition of ZVI into anaerobic digestion of sludge after pretreated by the heat or alkali process could efficiently recover the methanogenic activity and increase the methane production and sludge reduction. Copyright © 2015 Elsevier Ltd. All rights reserved.
Shukla, Sudhir; Bhargava, Atul; Chatterjee, Avijeet; Pandey, Avinash Chandra; Mishra, Brij K
2010-01-15
Assessment of genetic diversity in a crop-breeding programme helps in the identification of diverse parental combinations to create segregating progenies with maximum genetic variability and facilitates introgression of desirable genes from diverse germplasm into the available genetic base. In the present study, 39 strains of vegetable amaranth (Amaranthus tricolor) were evaluated for eight morphological and seven quality traits for two test seasons to study the extent of genetic divergence among the strains. Multivariate analysis showed that the first four principal components contributed 67.55% of the variability. Cluster analysis grouped the strains into six clusters that displayed a wide range of diversity for most of the traits. Cluster analysis has proved to be an effective method in grouping strains that may facilitate effective management and utilisation in crop-breeding programmes. The diverse strains falling in different clusters were identified, which can be utilised in different hybridisation programmes to develop high-foliage-yielding varieties rich in nutritional components. Copyright (c) 2009 Society of Chemical Industry.
Opara, Umezuruike Linus; Jacobson, Dan; Al-Saady, Nadiya Abubakar
2010-01-01
Banana is an important crop grown in Oman and there is a dearth of information on its genetic diversity to assist in crop breeding and improvement programs. This study employed amplified fragment length polymorphism (AFLP) to investigate the genetic variation in local banana cultivars from the southern region of Oman. Using 12 primer combinations, a total of 1094 bands were scored, of which 1012 were polymorphic. Eighty-two unique markers were identified, which revealed the distinct separation of the seven cultivars. The results obtained show that AFLP can be used to differentiate the banana cultivars. Further classification by phylogenetic, hierarchical clustering and principal component analyses showed significant differences between the clusters found with molecular markers and those clusters created by previous studies using morphological analysis. Based on the analytical results, a consensus dendrogram of the banana cultivars is presented. PMID:20443211
Theory of Positron Annihilation in Helium-Filled Bubbles in Plutonium
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sterne, P A; Pask, J E
2003-02-13
Positron annihilation lifetime spectroscopy is a sensitive probe of vacancies and voids in materials. This non-destructive measurement technique can identify the presence of specific defects in materials at the part-per-million level. Recent experiments by Asoka-Kumar et al. have identified two lifetime components in aged plutonium samples--a dominant lifetime component of around 182 ps and a longer lifetime component of around 350-400ps. This second component appears to increase with the age of the sample, and accounts for only about 5 percent of the total intensity in 35 year-old plutonium samples. First-principles calculations of positron lifetimes are now used extensively to guidemore » the interpretation of positron lifetime data. At Livermore, we have developed a first-principles finite-element-based method for calculating positron lifetimes for defects in metals. This method is capable of treating system cell sizes of several thousand atoms, allowing us to model defects in plutonium ranging in size from a mono-vacancy to helium-filled bubbles of over 1 nm in diameter. In order to identify the defects that account for the observed lifetime values, we have performed positron lifetime calculations for a set of vacancies, vacancy clusters, and helium-filled vacancy clusters in delta-plutonium. The calculations produced values of 143ps for defect-free delta-Pu and 255ps for a mono-vacancy in Pu, both of which are inconsistent with the dominant experimental lifetime component of 182ps. Larger vacancy clusters have even longer lifetimes. The observed positron lifetime is significantly shorter than the calculated lifetimes for mono-vacancies and larger vacancy clusters, indicating that open vacancy clusters are not the dominant defect in the aged plutonium samples. When helium atoms are introduced into the vacancy cluster, the positron lifetime is reduced due to the increased density of electrons available for annihilation. For a mono-vacancy in Pu containing one helium atom, the calculated lifetime is 190 ps, while a di-vacancy containing two helium atoms has a positron lifetime of 205 ps. In general, increasing the helium density in a vacancy cluster or He-filled bubble reduces the positron lifetime, so that the same lifetime value can arise fi-om a range of vacancy cluster sizes with different helium densities. In order to understand the variation of positron lifetime with vacancy cluster size and helium density in the defect, we have performed over 60 positron lifetime calculations with vacancy cluster sizes ranging from 1 to 55 vacancies and helium densities ranging fi-om zero to five helium atoms per vacancy. The results indicate that the experimental lifetime of 182 ps is consistent with the theoretical value of 190 ps for a mono-vacancy with a single helium atom, but that slightly better agreement is obtained for larger clusters of 6 or more vacancies containing 2-3 helium atoms per vacancy. For larger vacancy clusters with diameters of about 3-5 nm or more, the annihilation with helium electrons dominates the positron annihilation rate; the observed lifetime of 180ps is then consistent with a helium concentration in the range of 3 to 3.5 Hehacancy, setting an upper bound on the helium concentration in the vacancy clusters. In practice, the single lifetime component is most probably associated with a family of helium-filled bubbles rather than with a specific unique defect size. The longer 350-400ps lifetime component is consistent with a relatively narrow range of defect sizes and He concentration. At zero He concentration, the lifetime values are matched by small vacancy clusters containing 6-12 vacancies. With increasing vacancy cluster size, a small amount of He is required to keep the lifetime in the 350-400 ps range, until the value saturates for larger helium bubbles of more than 50 vacancies (bubble diameter > 1.3 nm) at a helium concentration close to 1 He/vacancy. These results, taken together with the experimental data, indicate that the features observed in TEM data by Schwartz et al are not voids, but are in fact helium-filled bubbles with a helium pressure of around 2-3 helium atoms per vacancy, depending on the bubble size. This is consistent with the conclusions of recently developed models of He-bubble growth in aged plutonium.« less
Alkali silica reaction (ASR) in cement free alkali activated sustainable concrete.
DOT National Transportation Integrated Search
2016-12-19
This report summarizes the findings of an experimental evaluation into alkali silica : reaction (ASR) in cement free alkali-activated slag and fly ash binder concrete. The : susceptibility of alkali-activated fly ash and slag concrete binders to dele...
Uranyl peroxide enhanced nuclear fuel corrosion in seawater.
Armstrong, Christopher R; Nyman, May; Shvareva, Tatiana; Sigmon, Ginger E; Burns, Peter C; Navrotsky, Alexandra
2012-02-07
The Fukushima-Daiichi nuclear accident brought together compromised irradiated fuel and large amounts of seawater in a high radiation field. Based on newly acquired thermochemical data for a series of uranyl peroxide compounds containing charge-balancing alkali cations, here we show that nanoscale cage clusters containing as many as 60 uranyl ions, bonded through peroxide and hydroxide bridges, are likely to form in solution or as precipitates under such conditions. These species will enhance the corrosion of the damaged fuel and, being thermodynamically stable and kinetically persistent in the absence of peroxide, they can potentially transport uranium over long distances.
Uranyl peroxide enhanced nuclear fuel corrosion in seawater
Armstrong, Christopher R.; Nyman, May; Shvareva, Tatiana; Sigmon, Ginger E.; Burns, Peter C.; Navrotsky, Alexandra
2012-01-01
The Fukushima-Daiichi nuclear accident brought together compromised irradiated fuel and large amounts of seawater in a high radiation field. Based on newly acquired thermochemical data for a series of uranyl peroxide compounds containing charge-balancing alkali cations, here we show that nanoscale cage clusters containing as many as 60 uranyl ions, bonded through peroxide and hydroxide bridges, are likely to form in solution or as precipitates under such conditions. These species will enhance the corrosion of the damaged fuel and, being thermodynamically stable and kinetically persistent in the absence of peroxide, they can potentially transport uranium over long distances. PMID:22308442
Optimal control of multiphoton ionization dynamics of small alkali aggregates
NASA Astrophysics Data System (ADS)
Lindinger, A.; Bartelt, A.; Lupulescu, C.; Vajda, S.; Woste, Ludger
2003-11-01
We have performed transient multi-photon ionization experiments on small alkali clusters of different size in order to probe their wave packet dynamics, structural reorientations, charge transfers and dissociative events in different vibrationally excited electronic states including their ground state. The observed processes were highly dependent on the irradiated pulse parameters like wavelength range or its phase and amplitude; an emphasis to employ a feedback control system for generating the optimum pulse shapes. Their spectral and temporal behavior reflects interesting properties about the investigated system and the irradiated photo-chemical process. First, we present the vibrational dynamics of bound electronically excited states of alkali dimers and trimers. The scheme for observing the wave packet dynamics in the electronic ground state using stimulated Raman-pumping is shown. Since the employed pulse parameters significantly influence the efficiency of the irradiated dynamic pathways photo-induced ioniziation experiments were carried out. The controllability of 3-photon ionization pathways is investigated on the model-like systems NaK and K2. A closed learning loop for adaptive feedback control is used to find the optimal fs pulse shape. Sinusoidal parameterizations of the spectral phase modulation are investigated in regard to the obtained optimal field. By reducing the number of parameters and thereby the complexity of the phase moduation, optimal pulse shapes can be generated that carry fingerprints of the molecule's dynamical properties. This enables to find "understandable" optimal pulse forms and offers the possiblity to gain insight into the photo-induced control process. Characteristic motions of the involved wave packets are proposed to explain the optimized dynamic dissociation pathways.
Schrettl, Markus; Carberry, Stephen; Kavanagh, Kevin; Haas, Hubertus; Jones, Gary W; O'Brien, Jennifer; Nolan, Aine; Stephens, John; Fenelon, Orla; Doyle, Sean
2010-06-10
Gliotoxin, and other related molecules, are encoded by multi-gene clusters and biosynthesized by fungi using non-ribosomal biosynthetic mechanisms. Almost universally described in terms of its toxicity towards mammalian cells, gliotoxin has come to be considered as a component of the virulence arsenal of Aspergillus fumigatus. Here we show that deletion of a single gene, gliT, in the gliotoxin biosynthetic cluster of two A. fumigatus strains, rendered the organism highly sensitive to exogenous gliotoxin and completely disrupted gliotoxin secretion. Addition of glutathione to both A. fumigatus Delta gliT strains relieved gliotoxin inhibition. Moreover, expression of gliT appears to be independently regulated compared to all other cluster components and is up-regulated by exogenous gliotoxin presence, at both the transcript and protein level. Upon gliotoxin exposure, gliT is also expressed in A. fumigatus Delta gliZ, which cannot express any other genes in the gliotoxin biosynthetic cluster, indicating that gliT is primarily responsible for protecting this strain against exogenous gliotoxin. GliT exhibits a gliotoxin reductase activity up to 9 microM gliotoxin and appears to prevent irreversible depletion of intracellular glutathione stores by reduction of the oxidized form of gliotoxin. Cross-species resistance to exogenous gliotoxin is acquired by A. nidulans and Saccharomyces cerevisiae, respectively, when transformed with gliT. We hypothesise that the primary role of gliotoxin may be as an antioxidant and that in addition to GliT functionality, gliotoxin secretion may be a component of an auto-protective mechanism, deployed by A. fumigatus to protect itself against this potent biomolecule.
Arnup, Sarah J; McKenzie, Joanne E; Hemming, Karla; Pilcher, David; Forbes, Andrew B
2017-08-15
In a cluster randomised crossover (CRXO) design, a sequence of interventions is assigned to a group, or 'cluster' of individuals. Each cluster receives each intervention in a separate period of time, forming 'cluster-periods'. Sample size calculations for CRXO trials need to account for both the cluster randomisation and crossover aspects of the design. Formulae are available for the two-period, two-intervention, cross-sectional CRXO design, however implementation of these formulae is known to be suboptimal. The aims of this tutorial are to illustrate the intuition behind the design; and provide guidance on performing sample size calculations. Graphical illustrations are used to describe the effect of the cluster randomisation and crossover aspects of the design on the correlation between individual responses in a CRXO trial. Sample size calculations for binary and continuous outcomes are illustrated using parameters estimated from the Australia and New Zealand Intensive Care Society - Adult Patient Database (ANZICS-APD) for patient mortality and length(s) of stay (LOS). The similarity between individual responses in a CRXO trial can be understood in terms of three components of variation: variation in cluster mean response; variation in the cluster-period mean response; and variation between individual responses within a cluster-period; or equivalently in terms of the correlation between individual responses in the same cluster-period (within-cluster within-period correlation, WPC), and between individual responses in the same cluster, but in different periods (within-cluster between-period correlation, BPC). The BPC lies between zero and the WPC. When the WPC and BPC are equal the precision gained by crossover aspect of the CRXO design equals the precision lost by cluster randomisation. When the BPC is zero there is no advantage in a CRXO over a parallel-group cluster randomised trial. Sample size calculations illustrate that small changes in the specification of the WPC or BPC can increase the required number of clusters. By illustrating how the parameters required for sample size calculations arise from the CRXO design and by providing guidance on both how to choose values for the parameters and perform the sample size calculations, the implementation of the sample size formulae for CRXO trials may improve.
Nývltová, Eva; Šuták, Robert; Harant, Karel; Šedinová, Miroslava; Hrdy, Ivan; Paces, Jan; Vlček, Čestmír; Tachezy, Jan
2013-04-30
In most eukaryotes, the mitochondrion is the main organelle for the formation of iron-sulfur (FeS) clusters. This function is mediated through the iron-sulfur cluster assembly machinery, which was inherited from the α-proteobacterial ancestor of mitochondria. In Archamoebae, including pathogenic Entamoeba histolytica and free-living Mastigamoeba balamuthi, the complex iron-sulfur cluster machinery has been replaced by an ε-proteobacterial nitrogen fixation (NIF) system consisting of two components: NifS (cysteine desulfurase) and NifU (scaffold protein). However, the cellular localization of the NIF system and the involvement of mitochondria in archamoebal FeS assembly are controversial. Here, we show that the genes for both NIF components are duplicated within the M. balamuthi genome. One paralog of each protein contains an amino-terminal extension that targets proteins to mitochondria (NifS-M and NifU-M), and the second paralog lacks a targeting signal, thereby reflecting the cytosolic form of the NIF machinery (NifS-C and NifU-C). The dual localization of the NIF system corresponds to the presence of FeS proteins in both cellular compartments, including detectable hydrogenase activity in Mastigamoeba cytosol and mitochondria. In contrast, E. histolytica possesses only single genes encoding NifS and NifU, respectively, and there is no evidence for the presence of the NIF machinery in its reduced mitochondria. Thus, M. balamuthi is unique among eukaryotes in that its FeS cluster formation is mediated through two most likely independent NIF machineries present in two cellular compartments.
Nývltová, Eva; Šuták, Robert; Harant, Karel; Šedinová, Miroslava; Hrdý, Ivan; Pačes, Jan; Vlček, Čestmír; Tachezy, Jan
2013-01-01
In most eukaryotes, the mitochondrion is the main organelle for the formation of iron-sulfur (FeS) clusters. This function is mediated through the iron-sulfur cluster assembly machinery, which was inherited from the α-proteobacterial ancestor of mitochondria. In Archamoebae, including pathogenic Entamoeba histolytica and free-living Mastigamoeba balamuthi, the complex iron-sulfur cluster machinery has been replaced by an ε-proteobacterial nitrogen fixation (NIF) system consisting of two components: NifS (cysteine desulfurase) and NifU (scaffold protein). However, the cellular localization of the NIF system and the involvement of mitochondria in archamoebal FeS assembly are controversial. Here, we show that the genes for both NIF components are duplicated within the M. balamuthi genome. One paralog of each protein contains an amino-terminal extension that targets proteins to mitochondria (NifS-M and NifU-M), and the second paralog lacks a targeting signal, thereby reflecting the cytosolic form of the NIF machinery (NifS-C and NifU-C). The dual localization of the NIF system corresponds to the presence of FeS proteins in both cellular compartments, including detectable hydrogenase activity in Mastigamoeba cytosol and mitochondria. In contrast, E. histolytica possesses only single genes encoding NifS and NifU, respectively, and there is no evidence for the presence of the NIF machinery in its reduced mitochondria. Thus, M. balamuthi is unique among eukaryotes in that its FeS cluster formation is mediated through two most likely independent NIF machineries present in two cellular compartments. PMID:23589868
Groundwater Quality: Analysis of Its Temporal and Spatial Variability in a Karst Aquifer.
Pacheco Castro, Roger; Pacheco Ávila, Julia; Ye, Ming; Cabrera Sansores, Armando
2018-01-01
This study develops an approach based on hierarchical cluster analysis for investigating the spatial and temporal variation of water quality governing processes. The water quality data used in this study were collected in the karst aquifer of Yucatan, Mexico, the only source of drinking water for a population of nearly two million people. Hierarchical cluster analysis was applied to the quality data of all the sampling periods lumped together. This was motivated by the observation that, if water quality does not vary significantly in time, two samples from the same sampling site will belong to the same cluster. The resulting distribution maps of clusters and box-plots of the major chemical components reveal the spatial and temporal variability of groundwater quality. Principal component analysis was used to verify the results of cluster analysis and to derive the variables that explained most of the variation of the groundwater quality data. Results of this work increase the knowledge about how precipitation and human contamination impact groundwater quality in Yucatan. Spatial variability of groundwater quality in the study area is caused by: a) seawater intrusion and groundwater rich in sulfates at the west and in the coast, b) water rock interactions and the average annual precipitation at the middle and east zones respectively, and c) human contamination present in two localized zones. Changes in the amount and distribution of precipitation cause temporal variation by diluting groundwater in the aquifer. This approach allows to analyze the variation of groundwater quality controlling processes efficiently and simultaneously. © 2017, National Ground Water Association.
Kelvin-Helmholtz instability in a single-component atomic superfluid
NASA Astrophysics Data System (ADS)
Baggaley, A. W.; Parker, N. G.
2018-05-01
We demonstrate an experimentally feasible method for generating the classical Kelvin-Helmholtz instability in a single-component atomic Bose-Einstein condensate. By progressively reducing a potential barrier between two counterflowing channels, we seed a line of quantized vortices, which precede to form progressively larger clusters, mimicking the classical roll-up behavior of the Kelvin-Helmholtz instability. This cluster formation leads to an effective superfluid shear layer, formed through the collective motion of many quantized vortices. From this we demonstrate a straightforward method to measure the effective viscosity of a turbulent quantum fluid in a system with a moderate number of vortices, within the range of current experimental capabilities.
NASA Technical Reports Server (NTRS)
Parada, N. D. J.; Novo, E. M. L. M.
1983-01-01
Two sets of MSS/LANDSAT data with solar elevation ranging from 22 deg to 41 deg were used at the Image-100 System to implement the Eliason et alii technique for extracting the topographic modulation component. An unsupervised cluster analysis was used to obtain an average brightness image for each channel. Analysis of the enhanced imaged shows that the technique for extracting topographic modulation component is more appropriated to MSS data obtained under high sun elevation ngles. Low sun elevation increases the variance of each cluster so that the average brightness doesn't represent its albedo proprties. The topographic modulation component applied to low sun elevation angle damages rather than enhance topographic information. Better results were produced for channels 4 and 5 than for channels 6 and 7.
NASA Astrophysics Data System (ADS)
Postman, Marc; Lubin, Lori M.; Oke, J. B.
1998-08-01
We present an extensive photometric and spectroscopic study of two high-redshift clusters of galaxies based on data obtained from the Keck 10 m telescopes and the Hubble Space Telescope. The clusters Cl 0023+0423 (z = 0.84) and Cl 1604+4304 (z = 0.90) are part of a multiwavelength program of Oke, Postman & Lubin to study nine candidate clusters at z >~ 0.6. Based on these observations, we study in detail both the field and cluster populations. From the confirmed cluster members, we find that Cl 0023+0423 actually consists of two components separated by ~2900 km s^-1. A kinematic analysis indicates that the two components are a poor cluster with ~3 x 10^14 M_⊙ and a less massive group with ~10^13 M_⊙. Cl 1604+4304 is a centrally concentrated, rich cluster at z = 0.8967 with a velocity dispersion of 1226 km s^-1 and a mass of ~3 x 10^15 M_⊙. A large percentage of the cluster members show high levels of star formation activity. Approximately 57% and 50% of the galaxies are active in Cl 0023+0423 and Cl 1604+4304, respectively. These numbers are significantly larger than those found in intermediate-redshift clusters. We also observe many old, red galaxies. Found mainly in Cl 1604+4304, they have spectra consistent with passive stellar evolution, typical of the populations of early-type galaxies in low- and intermediate-redshift clusters. We have calculated their ages by comparing their spectral energy distributions to standard Bruzual & Charlot evolutionary models. We find that their colors are consistent with models having an exponentially decreasing star formation rate with a time constant of 0.6 Gyr. We also observe a significant luminosity brightening in our brightest cluster galaxies. Compared with brightest cluster galaxies at z ~ 0.1, we find a luminosity increase of ~1 mag in the rest M_B and ~0.8 mag in the rest M_V. In the field, we find that ~76% of the galaxies with z > 0.4 show emission-line activity. These numbers are consistent with previous studies. We find that an exponentially decaying star formation rate is required to produce the observed amount of star formation for the majority of the galaxies in our sample. A time constant of tau = 0.6 Gyr appears to be optimal. We also detect several interesting galaxies at z > 1. Two of these galaxies are extremely luminous, with strong Mg ii lambda2800 absorption and Fe ii resonance-line absorption. These lines are so strong that we conclude that they must be generated within the atmospheres of a large population of young, hot stars.
NASA Astrophysics Data System (ADS)
Baranov, A. A.; Ermak, S. V.; Kulachenkov, N. K.; Petrenko, M. V.; Sagitov, E. A.; Semenov, V. V.
2017-11-01
This paper presents the results of investigation Stark shift effect influence on the long-term stability of a dual scheme of quantum magnetometers. Such scheme allows suppressing Stark shift components when a certain pumping light polarization is applied. As a result, long-term stability of a quantum sensor increases. However, when low-frequency (LF) and microwave fields are attached to a single vapor cell a coherence circulation in hyperfine structure of alkali atoms takes place. Physical origin of this effect is associated with the so called “dressed” atom theory, when atom is “dressed” by LF field. It yields in multiphoton absorption and resonance frequency shift. First estimates for this shift based on density matrix evolution formalism are provided in the paper.
Hydrothermal alkali metal recovery process
Wolfs, Denise Y.; Clavenna, Le Roy R.; Eakman, James M.; Kalina, Theodore
1980-01-01
In a coal gasification operation or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein solid particles containing alkali metal residues are produced, alkali metal constituents are recovered from the particles by treating them with a calcium or magnesium-containing compound in the presence of water at a temperature between about 250.degree. F. and about 700.degree. F. and in the presence of an added base to establish a pH during the treatment step that is higher than would otherwise be possible without the addition of the base. During the treating process the relatively high pH facilitates the conversion of water-insoluble alkali metal compounds in the alkali metal residues into water-soluble alkali metal constituents. The resultant aqueous solution containing water-soluble alkali metal constituents is then separated from the residue solids, which consist of the treated particles and any insoluble materials formed during the treatment step, and recycled to the gasification process where the alkali metal constituents serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst. Preferably, the base that is added during the treatment step is an alkali metal hydroxide obtained by water washing the residue solids produced during the treatment step.
AFOSR Chemistry Program Review FY-79 (24th).
1980-03-01
made can be found in the "EOARD Quarterly Highlights." NEW PROJECTS An exciting new project in the field of multi-component glasses for optical...fibers was begun with Professor Renata Reisfeld at the Hebrew University of Jerusalem. Purpose of the study is to develop multi-component glass which will...have a high transparency in the 0.8 to 1.5 Um region of the spectrum. Combinations of oxides such as Si02, B20 3 , P 205 , GeO2 and TeO2 with alkali
NASA Astrophysics Data System (ADS)
Basta, Fawzy F.; Maurice, Ayman E.; Bakhit, Bottros R.; Azer, Mokhles K.; El-Sobky, Atef F.
2017-09-01
The igneous rocks of the Wadi Hamad area are exposed in the northernmost segment of the Arabian-Nubian Shield (ANS). These rocks represent part of crustal section of Neoproterozoic continental island arc which is intruded by late to post-collisional alkali feldspar granites. The subduction-related intrusives comprise earlier gabbro-diorites and later granodiorites-granites. Subduction setting of these intrusives is indicated by medium- to high-K calc-alkaline affinity, Ta-Nb troughs on the spider diagrams and pyroxene and biotite compositions similar to those crystallized from arc magmas. The collisional alkali feldspar granites have high-K highly fractionated calc-alkaline nature and their spider diagrams almost devoid of Ta-Nb troughs. The earlier subduction gabbro-diorites have lower alkalis, LREE, Nb, Zr and Hf values compared with the later subduction granodiorites-granites, which display more LILE-enriched spider diagrams with shallower Ta-Nb troughs, reflecting variation of magma composition with arc evolution. The later subduction granitoids were generated by lower degree of partial melting of mantle wedge and contain higher arc crustal component compared with the earlier subduction gabbro-diorites. The highly silicic alkali feldspar granites represent extensively evolved melts derived from partial melting of intermediate arc crustal sources during the collisional stage. Re-melting of arc crustal sources during the collisional stage results in geochemical differentiation of the continental arc crust and the silicic collisional plutonism drives the composition of its upper part towards that of mature continental crust.
NASA Astrophysics Data System (ADS)
Greisch, Jean Francois; Harding, Michael E.; Chmela, Jiri; Klopper, Willem M.; Schooss, Detlef; Kappes, Manfred M.
2016-06-01
The application of lanthanoid complexes ranges from photovoltaics and light-emitting diodes to quantum memories and biological assays. Rationalization of their design requires a thorough understanding of intramolecular processes such as energy transfer, charge transfer, and non-radiative decay involving their subunits. Characterization of the excited states of such complexes considerably benefits from mass spectrometric methods since the associated optical transitions and processes are strongly affected by stoichiometry, symmetry, and overall charge state. We report herein spectroscopic measurements on ensembles of ions trapped in the gas phase and soft-landed in neon matrices. Their interpretation is considerably facilitated by direct comparison with computations. The combination of energy- and time-resolved measurements on isolated species with density functional as well as ligand-field and Franck-Condon computations enables us to infer structural as well as dynamical information about the species studied. The approach is first illustrated for sets of model lanthanoid complexes whose structure and electronic properties are systematically varied via the substitution of one component (lanthanoid or alkali,alkali-earth ion): (i) systematic dependence of ligand-centered phosphorescence on the lanthanoid(III) promotion energy and its impact on sensitization, and (ii) structural changes induced by the substitution of alkali or alkali-earth ions in relation with structures inferred using ion mobility spectroscopy. The temperature dependence of sensitization is briefly discussed. The focus is then shifted to measurements involving europium complexes with doxycycline an antibiotic of the tetracycline family. Besides discussing the complexes' structural and electronic features, we report on their use to monitor enzymatic processes involving hydrogen peroxide or biologically relevant molecules such as adenosine triphosphate (ATP).
Structure and stability of small Li2 +(X2Σ+ g )-Xen (n = 1-6) clusters
NASA Astrophysics Data System (ADS)
Saidi, Sameh; Ghanmi, Chedli; Berriche, Hamid
2014-04-01
We have studied the structure and stability of the Li2 +(X2Σ+ g )Xe n ( n = 1-6) clusters for special symmetry groups. The potential energy surfaces of these clusters, are described using an accurate ab initio approach based on non-empirical pseudopotential, parameterized l-dependent polarization potential and analytic potential forms for the Li+Xe and Xe-Xe interactions. The pseudopotential technique has reduced the number of active electrons of Li2 +(X2Σ+ g )-Xe n ( n = 1-6) clusters to only one electron, the Li valence electron. The core-core interactions for Li+Xe are included using accurate CCSD(T) potential fitted using the analytical form of Tang and Toennies. For the Xe-Xe potential interactions we have used the analytical form of Lennard Jones (LJ6 - 12). The potential energy surfaces of the Li2 +(X2Σ+ g )Xe n ( n = 1-6) clusters are performed for a fixed distance of the Li2 +(X2Σ+ g ) alkali dimer, its equilibrium distance. They are used to extract information on the stability of the Li2 +(X2Σ+ g Xe n ( n = 1-6) clusters. For each n, the stability of the different isomers is examined by comparing their potential energy surfaces. Moreover, we have determined the quantum energies ( D 0), the zero-point-energies (ZPE) and the ZPE%. To our best knowledge, there are neither experimental nor theoretical works realized for the Li2 +(X2Σ+ g Xe n ( n = 1-6) clusters, our results are presented for the first time.
Composition and origin of basaltic magma of the Hawaiian Islands
Powers, H.A.
1955-01-01
Silica-saturated basaltic magma is the source of the voluminous lava flows, erupted frequently and rapidly in the primitive shield-building stage of activity, that form the bulk of each Hawaiian volcano. This magma may be available in batches that differ slightly in free silica content from batch to batch both at the same and at different volcanoes; differentiation by fractionation of olivine does not occur within this primitive magma. Silica-deficient basaltic magma, enriched in alkali, is the source of commonly porphyritic lava flows erupted less frequently and in relatively negligible volume during a declining and decadent stage of activity at some Hawaiian volcanoes. Differentiation by fractionation of olivine, plagioclase and augite is evident among these lavas, but does not account for the silica deficiency or the alkali enrichment. Most of the data of Hawaiian volcanism and petrology can be explained by a hypothesis that batches of magma are melted from crystalline paridotite by a recurrent process (distortion of the equatorial bulge by forced and free nutational stresses) that accomplishes the melting only of the plagioclase and pyroxene component but not the excess olivine and more refractory components within a zone of fixed and limited depth. Eruption exhausts the supply of meltable magma under a given locality and, in the absence of more violent melting processes, leaves a stratum of crystalline refractory components. ?? 1955.
NASA Astrophysics Data System (ADS)
Beerenwinkel, Anne; von Arx, Matthias
2017-04-01
For the last three decades, moderate constructivism has become an increasingly prominent perspective in science education. Researchers have defined characteristics of constructivist-oriented science classrooms, but the implementation of such science teaching in daily classroom practice seems difficult. Against this background, we conducted a sub-study within the tri-national research project Quality of Instruction in Physics (QuIP) analysing 60 videotaped physics classes involving a large sample of students ( N = 1192) from Finland, Germany and Switzerland in order to investigate the kinds of constructivist components and teaching patterns that can be found in regular classrooms without any intervention. We applied a newly developed coding scheme to capture constructivist facets of science teaching and conducted principal component and cluster analyses to explore which components and patterns were most prominent in the classes observed. Two underlying components were found, resulting in two scales—Structured Knowledge Acquisition and Fostering Autonomy—which describe key aspects of constructivist teaching. Only the first scale was rather well established in the lessons investigated. Classes were clustered based on these scales. The analysis of the different clusters suggested that teaching physics in a structured way combined with fostering students' autonomy contributes to students' motivation. However, our regression models indicated that content knowledge is a more important predictor for students' motivation, and there was no homogeneous pattern for all gender- and country-specific subgroups investigated. The results are discussed in light of recent discussions on the feasibility of constructivism in practice.
Cluster assembly in nitrogenase.
Sickerman, Nathaniel S; Rettberg, Lee A; Lee, Chi Chung; Hu, Yilin; Ribbe, Markus W
2017-05-09
The versatile enzyme system nitrogenase accomplishes the challenging reduction of N 2 and other substrates through the use of two main metalloclusters. For molybdenum nitrogenase, the catalytic component NifDK contains the [Fe 8 S 7 ]-core P-cluster and a [MoFe 7 S 9 C-homocitrate] cofactor called the M-cluster. These chemically unprecedented metalloclusters play a critical role in the reduction of N 2 , and both originate from [Fe 4 S 4 ] clusters produced by the actions of NifS and NifU. Maturation of P-cluster begins with a pair of these [Fe 4 S 4 ] clusters on NifDK called the P*-cluster. An accessory protein NifZ aids in P-cluster fusion, and reductive coupling is facilitated by NifH in a stepwise manner to form P-cluster on each half of NifDK. For M-cluster biosynthesis, two [Fe 4 S 4 ] clusters on NifB are coupled with a carbon atom in a radical-SAM dependent process, and concomitant addition of a 'ninth' sulfur atom generates the [Fe 8 S 9 C]-core L-cluster. On the scaffold protein NifEN, L-cluster is matured to M-cluster by the addition of Mo and homocitrate provided by NifH. Finally, matured M-cluster in NifEN is directly transferred to NifDK, where a conformational change locks the cofactor in place. Mechanistic insights into these fascinating biosynthetic processes are detailed in this chapter. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.
Alkali metal nitrate purification
Fiorucci, Louis C.; Morgan, Michael J.
1986-02-04
A process is disclosed for removing contaminants from impure alkali metal nitrates containing them. The process comprises heating the impure alkali metal nitrates in solution form or molten form at a temperature and for a time sufficient to effect precipitation of solid impurities and separating the solid impurities from the resulting purified alkali metal nitrates. The resulting purified alkali metal nitrates in solution form may be heated to evaporate water therefrom to produce purified molten alkali metal nitrates suitable for use as a heat transfer medium. If desired, the purified molten form may be granulated and cooled to form discrete solid particles of purified alkali metal nitrates.
Recovery of alkali metal constituents from catalytic coal conversion residues
Soung, W.Y.
In a coal gasification operation (32) or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein particles containing alkali metal residues are produced, alkali metal constituents are recovered from the particles by contacting them with water or an aqueous solution to remove water-soluble alkali metal constituents and produce an aqueous solution enriched in said constituents. The aqueous solution thus produced is then contacted with carbon dioxide to precipitate silicon constituents, the pH of the resultant solution is increased, preferably to a value in the range between about 12.5 and about 15.0, and the solution of increased pH is evaporated to increase the alkali metal concentration. The concentrated aqueous solution is then recycled to the conversion process where the alkali metal constituents serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst.
[Diversity of uncultured actinomycetes in saline-alkali soil from Jiuquan area of Hexi Corridor].
Li, Hai-yun; Niu, Shi-quan; Kong, Wei-bao; Yan, Wei-ru; Geng, Hui; Han, Cai-hong; Da, Wen-yan; Zhang, Ai-mei; Zhu, Xue-tai
2015-09-01
In order to more accurately understand community structure and diversity of actinomycetes in saline-alkali soil from Jiuquan area of Hexi Corridor, the community structure and diversity from three kinds of soil samples (primary, secondary saline alkali soil and farmland soil) were analyzed using uncultured methods. The results showed that the 16S rDNA clone library of actinomycetales from the primary saline-alkali soil belonged to 19 OTUs, Micrococcineae, Propionibacterineae, Corynebacterineae, Frankineae, Pseudonocardineae and unknown groups of Actinomycetales; the 16S r DNA clone library of actinomycetales from the secondary saline-alkali soil belonged to 14 OTUs, Micrococcineae, Propionibacterineae, Corynebacterineae, Frankineae, Pseudonocardineae and unknown groups of Actinomycetales; the 16S rDNA clone library of farmland soil belonged to 7 OTUs, Micrococcineae, Propionibacterineae, Corynebacterineae, Frankineae, Pseudonocardineae and unknown groups of Actinomycetales; Micrococcineae was the common population in the three soils, and also was the dominant population in primary saline alkali soil and farmland soil. The diversity index and rarefaction curves analysis showed that actinomycetes species richness was in order of primary saline-alkali soil > secondary saline-alkali soil > farmland soil. The dilution curves of primary saline-alkali soil and secondary saline-alkali soil were not leveled off, which indicated the actinomycetes diversity in saline-alkali soil was more enriched than the actual. The rich and diverse actinomycetes resources in saline-alkali soil from Jiuquan area of Hexi Corridor provide important data on the actinomycetes ecology distribution research, exploitation and utilization in saline-alkali soil.
NASA Technical Reports Server (NTRS)
Zhu, Dongming; Chen, Yuan L.; Miller, Robert A.
2003-01-01
Advanced oxide thermal barrier coatings have been developed by incorporating multi-component rare earth oxide dopants into zirconia-yttria to effectively promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nano-scale phases within the coating systems. The presence of these nano-sized defect clusters has found to significantly reduce the coating intrinsic thermal conductivity, improve sintering resistance, and maintain long-term high temperature stability. In this paper, the defect clusters and nano-structured phases, which were created by the addition of multi-component rare earth dopants to the plasma-sprayed and electron-beam physical vapor deposited thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The defect cluster size, distribution, crystallographic and compositional information were investigated using high-resolution TEM lattice imaging, selected area diffraction (SAD), electron energy-loss spectroscopy (EELS) and energy dispersive spectroscopy (EDS) analysis techniques. The results showed that substantial defect clusters were formed in the advanced multi-component rare earth oxide doped zirconia- yttria systems. The size of the oxide defect clusters and the cluster dopant segregation was typically ranging from 5 to 50 nm. These multi-component dopant induced defect clusters are an important factor for the coating long-term high temperature stability and excellent performance.
NASA Technical Reports Server (NTRS)
Zhu, Dongming; Chen, Yuan L.; Miller, Robert A.
1990-01-01
Advanced oxide thermal barrier coatings have been developed by incorporating multi- component rare earth oxide dopants into zirconia-yttria to effectively promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nano-scale phases within the coating systems. The presence of these nano-sized defect clusters has found to significantly reduce the coating intrinsic thermal conductivity, improve sintering resistance, and maintain long-term high temperature stability. In this paper, the defect clusters and nano-structured phases, which were created by the addition of multi-component rare earth dopants to the plasma- sprayed and electron-beam physical vapor deposited thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The defect cluster size, distribution, crystallographic and compositional information were investigated using high-resolution TEM lattice imaging, selected area diffraction (SAD), and energy dispersive spectroscopy (EDS) analysis techniques. The results showed that substantial defect clusters were formed in the advanced multi-component rare earth oxide doped zirconia-yttria systems. The size of the oxide defect clusters and the cluster dopant segregation was typically ranging fiom 5 to 50 nm. These multi-component dopant induced defect clusters are an important factor for the coating long-term high temperature stability and excellent performance.
Lifestyle and accidents among young drivers.
Gregersen, N P; Berg, H Y
1994-06-01
This study covers the lifestyle component of the problems related to young drivers' accident risk. The purpose of the study is to measure the relationship between lifestyle and accident risk, and to identify specific high-risk and low-risk groups. Lifestyle is measured through a questionnaire, where 20-year-olds describe themselves and how often they deal with a large number of different activities, like sports, music, movies, reading, cars and driving, political engagement, etc. They also report their involvement in traffic accidents. With a principal component analysis followed by a cluster analysis, lifestyle profiles are defined. These profiles are finally correlated to accidents, which makes it possible to define high-risk and low-risk groups. The cluster analysis defined 15 clusters including four high-risk groups with an average overrisk of 150% and two low-risk groups with an average underrisk of 75%. The results are discussed from two perspectives. The first is the importance of theoretical understanding of the contribution of lifestyle factors to young drivers' high accident risk. The second is how the findings could be used in practical road safety measures, like education, campaigns, etc.
Savary, Serge; Delbac, Lionel; Rochas, Amélie; Taisant, Guillaume; Willocquet, Laetitia
2009-08-01
Dual epidemics are defined as epidemics developing on two or several plant organs in the course of a cropping season. Agricultural pathosystems where such epidemics develop are often very important, because the harvestable part is one of the organs affected. These epidemics also are often difficult to manage, because the linkage between epidemiological components occurring on different organs is poorly understood, and because prediction of the risk toward the harvestable organs is difficult. In the case of downy mildew (DM) and powdery mildew (PM) of grapevine, nonlinear modeling and logistic regression indicated nonlinearity in the foliage-cluster relationships. Nonlinear modeling enabled the parameterization of a transmission coefficient that numerically links the two components, leaves and clusters, in DM and PM epidemics. Logistic regression analysis yielded a series of probabilistic models that enabled predicting preset levels of cluster infection risks based on DM and PM severities on the foliage at successive crop stages. The usefulness of this framework for tactical decision-making for disease control is discussed.
Collision-induced evaporation of water clusters and contribution of momentum transfer
NASA Astrophysics Data System (ADS)
Calvo, Florent; Berthias, Francis; Feketeová, Linda; Abdoul-Carime, Hassan; Farizon, Bernadette; Farizon, Michel
2017-05-01
The evaporation of water molecules from high-velocity argon atoms impinging on protonated water clusters has been computationally investigated using molecular dynamics simulations with the reactive OSS2 potential to model water clusters and the ZBL pair potential to represent their interaction with the projectile. Swarms of trajectories and an event-by-event analysis reveal the conditions under which a specific number of molecular evaporation events is found one nanosecond after impact, thereby excluding direct knockout events from the analysis. These simulations provide velocity distributions that exhibit two main features, with a major statistical component arising from a global redistribution of the collision energy into intermolecular degrees of freedom, and another minor but non-ergodic feature at high velocities. The latter feature is produced by direct impacts on the peripheral water molecules and reflects a more complete momentum transfer. These two components are consistent with recent experimental measurements and confirm that electronic processes are not explicitly needed to explain the observed non-ergodic behavior. Contribution to the Topical Issue "Dynamics of Systems at the Nanoscale", edited by Andrey Solov'yov and Andrei Korol.
UFVA, A Combined Linear and Nonlinear Factor Analysis Program Package for Chemical Data Evaluation.
1980-11-01
that one cluster consists of the monoterpenes and Isoprene; the second is of the sesquiterpenes. Compound 8 (Caryophyllene) should therefore belong to...two clusters very clearly (Fig. 6). Figure 6 The very similar fragmentation pattern of Isoprene and the monoterpenes is reflected by their close...13 of another set of 13 terpene components. These are Isoprene, four monoterpenes (Myrcene, Menthol, Camphene, Umbellulone), four sesquiterpenes
Brow, Richard K.; Watkins, Randall D.
1995-07-04
Titanium is prenitrided by being heated in a nitrogen environment under conditions which give rise to the formation of a titanium-nitride surface layer on the titanium. Titanium thus prenitrided may be used in electrical components which are hermetically sealed using silicate glasses and standard glass sealing techniques. According to the method of the invention, alkali volatilization and formation of deleterious interfacial silicide are inhibited.
Brow, Richard K.; Watkins, Randall D.
1995-01-01
Titanium is prenitrided by being heated in a nitrogen environment under conditions which give rise to the formation of a titanium-nitride surface layer on the titanium. Titanium thus prenitrided may be used in electrical components which are hermetically sealed using silicate glasses and standard glass sealing techniques. According to the method of the invention, alkali volatilization and formation of deleterious interfacial silicide are inhibited.
Flash Galaxy Cluster Merger, Simulated using the Flash Code, Mass Ratio 1:1
None
2018-05-11
Since structure in the universe forms in a bottom-up fashion, with smaller structures merging to form larger ones, modeling the merging process in detail is crucial to our understanding of cosmology. At the current epoch, we observe clusters of galaxies undergoing mergers. It is seen that the two major components of galaxy clusters, the hot intracluster gas and the dark matter, behave very differently during the course of a merger. Using the N-body and hydrodynamics capabilities in the FLASH code, we have simulated a suite of representative galaxy cluster mergers, including the dynamics of both the dark matter, which is collisionless, and the gas, which has the properties of a fluid. 3-D visualizations such as these demonstrate clearly the different behavior of these two components over time. Credits: Science: John Zuhone (Harvard-Smithsonian Center for Astrophysics Visualization: Jonathan Gallagher (Flash Center, University of Chicago) This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Dept. of Energy (DOE) under contract DE-AC02-06CH11357. This research was supported by the National Nuclear Security Administration's (NNSA) Advanced Simulation and Computing (ASC) Academic Strategic Alliance Program (ASAP).
Flash Galaxy Cluster Merger, Simulated using the Flash Code, Mass Ratio 1:1
DOE Office of Scientific and Technical Information (OSTI.GOV)
None
2010-08-09
Since structure in the universe forms in a bottom-up fashion, with smaller structures merging to form larger ones, modeling the merging process in detail is crucial to our understanding of cosmology. At the current epoch, we observe clusters of galaxies undergoing mergers. It is seen that the two major components of galaxy clusters, the hot intracluster gas and the dark matter, behave very differently during the course of a merger. Using the N-body and hydrodynamics capabilities in the FLASH code, we have simulated a suite of representative galaxy cluster mergers, including the dynamics of both the dark matter, which ismore » collisionless, and the gas, which has the properties of a fluid. 3-D visualizations such as these demonstrate clearly the different behavior of these two components over time. Credits: Science: John Zuhone (Harvard-Smithsonian Center for Astrophysics Visualization: Jonathan Gallagher (Flash Center, University of Chicago) This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Dept. of Energy (DOE) under contract DE-AC02-06CH11357. This research was supported by the National Nuclear Security Administration's (NNSA) Advanced Simulation and Computing (ASC) Academic Strategic Alliance Program (ASAP).« less
NASA Astrophysics Data System (ADS)
Unglert, K.; Radić, V.; Jellinek, A. M.
2016-06-01
Variations in the spectral content of volcano seismicity related to changes in volcanic activity are commonly identified manually in spectrograms. However, long time series of monitoring data at volcano observatories require tools to facilitate automated and rapid processing. Techniques such as self-organizing maps (SOM) and principal component analysis (PCA) can help to quickly and automatically identify important patterns related to impending eruptions. For the first time, we evaluate the performance of SOM and PCA on synthetic volcano seismic spectra constructed from observations during two well-studied eruptions at Klauea Volcano, Hawai'i, that include features observed in many volcanic settings. In particular, our objective is to test which of the techniques can best retrieve a set of three spectral patterns that we used to compose a synthetic spectrogram. We find that, without a priori knowledge of the given set of patterns, neither SOM nor PCA can directly recover the spectra. We thus test hierarchical clustering, a commonly used method, to investigate whether clustering in the space of the principal components and on the SOM, respectively, can retrieve the known patterns. Our clustering method applied to the SOM fails to detect the correct number and shape of the known input spectra. In contrast, clustering of the data reconstructed by the first three PCA modes reproduces these patterns and their occurrence in time more consistently. This result suggests that PCA in combination with hierarchical clustering is a powerful practical tool for automated identification of characteristic patterns in volcano seismic spectra. Our results indicate that, in contrast to PCA, common clustering algorithms may not be ideal to group patterns on the SOM and that it is crucial to evaluate the performance of these tools on a control dataset prior to their application to real data.
NASA Technical Reports Server (NTRS)
Hartmann, S. R.; Happer, W.
1974-01-01
The report discusses completed and proposed research in atomic and molecular physics conducted at the Columbia Radiation Laboratory from July 1972 to June 1973. Central topics described include the atomic spectra and electronic structure of alkali metals and helium, molecular microwave spectroscopy, the resonance physics of photon echoes in some solid state systems (including Raman echoes, superradiance, and two photon absorption), and liquid helium superfluidity.
Gifford, Elizabeth V; Tavakoli, Sara; Weingardt, Kenneth R; Finney, John W; Pierson, Heather M; Rosen, Craig S; Hagedorn, Hildi J; Cook, Joan M; Curran, Geoff M
2012-01-01
Evidence-based psychological treatments (EBPTs) are clusters of interventions, but it is unclear how providers actually implement these clusters in practice. A disaggregated measure of EBPTs was developed to characterize clinicians' component-level evidence-based practices and to examine relationships among these practices. Survey items captured components of evidence-based treatments based on treatment integrity measures. The Web-based survey was conducted with 75 U.S. Department of Veterans Affairs (VA) substance use disorder (SUD) practitioners and 149 non-VA community-based SUD practitioners. Clinician's self-designated treatment orientations were positively related to their endorsement of those EBPT components; however, clinicians used components from a variety of EBPTs. Hierarchical cluster analysis indicated that clinicians combined and organized interventions from cognitive-behavioral therapy, the community reinforcement approach, motivational interviewing, structured family and couples therapy, 12-step facilitation, and contingency management into clusters including empathy and support, treatment engagement and activation, abstinence initiation, and recovery maintenance. Understanding how clinicians use EBPT components may lead to improved evidence-based practice dissemination and implementation. Published by Elsevier Inc.
High-alkali low-temperature polysulfide pulping (HALT) of Scots pine.
Paananen, Markus; Sixta, Herbert
2015-10-01
High-alkali low-temperature polysulfide pulping (HALT) was effectively utilised to prevent major polysaccharide losses while maintaining the delignification rate. A yield increase of 6.7 wt% on wood was observed for a HALT pulp compared to a conventionally produced kappa number 60 pulp with comparable viscosity. Approximately 70% of the yield increase was attributed to improved galactoglucomannan preservation and 30% to cellulose. A two-stage oxygen delignification sequence with inter-stage peroxymonosulphuric acid treatment was used to ensure delignification to a bleachable grade. In a comparison to conventional pulp, HALT pulp effectively maintained its yield advantage. Diafiltration trials indicate that purified black liquor can be directly recycled, as large lignin fractions and basically all dissolved polysaccharides were separated from the alkali-rich BL. Copyright © 2015 Elsevier Ltd. All rights reserved.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kincs, J.; Cho, J.; Bloyer, D.
1994-09-01
The T{sub g}`s and heat capacity functions have been measured for a series of Na{sub 2}S + B{sub 2}S{sub 3} glasses for the first time. Unlike the alkali borates, T{sub g} decreases rapidly as Na{sub 2}S is added to B{sub 2}S{sub 3}. This effect, even in the presence of a rapidly increasing fraction of tetrahedrally coordinated borons, has been associated with the ``over crosslinking`` effect of the sulfide ion. Unlike the borate glasses where each added oxygen produces two tetrahedral borons, the conversion rate for the thioborates is between four and six. This behavior is suggested to result in themore » formation of local tightly-bonded molecular-like structures that exhibit less long-range network bonding than the alkali borite glasses. A a result, T{sub g} decreases with added alkali in alkali thioborates rather than increases as in the alkali borate glasses. The change in heat capacity at T{sub g}, {Delta}C{sub p}(T{sub g}) has been carefully measured and is found to also decrease dramatically as alkali sulfide is added to the glass. Again this effect is opposite to the trends observed for the alkali borate glasses. The decreasing {Delta}C{sub p}(T{sub g}) occurs even in the presence of a decreasing T{sub g}. The authors have tentatively associated the diminishing {Delta}C{sub p}(T{sub g}) values to the decreasing density of the configurational states above T{sub g}. This is attributed to the high coordination number and site specificity caused by the added alkali sulfide. The glassy state heat capacities were analyzed and found to reach {approximately}90% of the classical limiting DuLong-Petit value just below T{sub g} for all glasses. This was used to suggest that the diminishing {Delta}C{sub p}(T{sub g}) values are associated with a unique behavior in the system to become a liquid with very little change in the density of configurational states.« less
NASA Astrophysics Data System (ADS)
Allison, C. M.; Roggensack, K.; Clarke, A. B.
2017-12-01
Volatile solubility in magmas is dependent on several factors, including composition and pressure. Mafic (basaltic) magmas with high concentrations of alkali elements (Na and K) are capable of dissolving larger quantities of H2O and CO2 than low-alkali basalt. The exsolution of abundant gases dissolved in alkali-rich mafic magmas can contribute to large explosive eruptions. Existing volatile solubility models for alkali-rich mafic magmas are well calibrated below 200 MPa, but at greater pressures the experimental data is sparse. To allow for accurate interpretation of mafic magmatic systems at higher pressures, we conducted a set of mixed H2O-CO2 volatile solubility experiments between 400 and 600 MPa at 1200 °C in six mafic compositions with variable alkali contents. Compositions include magmas from volcanoes in Italy, Antarctica, and Arizona. Results from our experiments indicate that existing volatile solubility models for alkali-rich mafic magmas, if extrapolated beyond their calibrated range, over-predict CO2 solubility at mid-crustal pressures. Physically, these results suggest that volatile exsolution can occur at deeper levels than what can be resolved from the lower-pressure experimental data. Existing thermodynamic models used to calculate volatile solubility at different pressures require two experimentally derived parameters. These parameters represent the partial molar volume of the condensed volatile species in the melt and its equilibrium constant, both calculated at a standard temperature and pressure. We derived these parameters for each studied composition and the corresponding thermodynamic model shows good agreement with the CO2 solubility data of the experiments. A general alkali basalt solubility model was also constructed by establishing a relationship between magma composition and the thermodynamic parameters. We utilize cation fractions from our six compositions along with four compositions from the experimental literature in a linear regression to generate this compositional relationship. Our revised general model provides a new framework to interpret volcanic data, yielding greater depths for melt inclusion entrapment than previously calculated using other models, and it can be applied to mafic magma compositions for which no experimental data is available.
Monte Carlo simulation of two-component bilayers: DMPC/DSPC mixtures.
Sugár, I P; Thompson, T E; Biltonen, R L
1999-01-01
In this paper, we describe a relatively simple lattice model of a two-component, two-state phospholipid bilayer. Application of Monte Carlo methods to this model permits simulation of the observed excess heat capacity versus temperature curves of dimyristoylphosphatidylcholine (DMPC)/distearoylphosphatidylcholine (DSPC) mixtures as well as the lateral distributions of the components and properties related to these distributions. The analysis of the bilayer energy distribution functions reveals that the gel-fluid transition is a continuous transition for DMPC, DSPC, and all DMPC/DSPC mixtures. A comparison of the thermodynamic properties of DMPC/DSPC mixtures with the configurational properties shows that the temperatures characteristics of the configurational properties correlate well with the maxima in the excess heat capacity curves rather than with the onset and completion temperatures of the gel-fluid transition. In the gel-fluid coexistence region, we also found excellent agreement between the threshold temperatures at different system compositions detected in fluorescence recovery after photobleaching experiments and the temperatures at which the percolation probability of the gel clusters is 0.36. At every composition, the calculated mole fraction of gel state molecules at the fluorescence recovery after photobleaching threshold is 0.34 and, at the percolation threshold of gel clusters, it is 0.24. The percolation threshold mole fraction of gel or fluid lipid depends on the packing geometry of the molecules and the interchain interactions. However, it is independent of temperature, system composition, and state of the percolating cluster. PMID:10096905
The 2RE J0241-525: A Nearby Post T-Tauri Visual Binary System
NASA Technical Reports Server (NTRS)
Jeffries, R. D.; Buckley, D. A. H.; James, D. J.; Stauffer, J. R.
1995-01-01
We present high spatial resolution X-ray observations, photometry and spectroscopy of the two low mass, active stars proposed as optical counterparts to the extreme ultraviolet source 2RE J0241-525 (equal to EUVE J0241-530). It is confirmed that both stars, which are of types dK7e and dM3e and separated by 22 arcsecs, are sources of soft X-ray emission and exhibit substantial chromospheric activity. Radial velocity measurements indicate that the two components are physically associated and most probably single. The projected equatorial velocities are measured as (75 +/- 3) km/s and (11.7 +/- 0.7) km/s for the hotter and cooler components, respectively, and whilst the hotter component has a relatively high photospheric lithium abundance, log N(Li) equal to 1.5 +/- 0.2, we are unable to detect any lithium in the cooler star. Isochrone fitting to this 'mini-cluster' yields an age of (3-70) Myr and a distance of (19-60) pc. An empirical comparison of the lithium abundances with those for similar stars in young clusters and associations narrows this age range to (5-30) Myr and a corresponding distance of (26-50) pc. We conclude that this object is a nearby post T-Tauri system, but we cannot locate any possible birth site. It appears unlikely that the system can have been ejected from a nearby open cluster in a two or three body encounter.
Adsorption performance of mixed dyes on alkalization loofah fibers
NASA Astrophysics Data System (ADS)
Wang, Yongli; Liu, Jinyan; Li, Xingxing
2018-02-01
When the polyporous structures of loofah fiber is adequately exposed after alkali treatment,lignin, hemicellulose and pectin are removed. Specific surface area is increased to maximum, which means the efficiency of absorptivity is highest. In this paper, by using alkalization loofah (AL) as adsorbent, the effect of loofah fiber on waste water treatment is studied under the efficiency of loofah fiber which contain acridine yellow, methylene blue, mixed solution of the two dyes. The optimum treatment conditions of loofah fiber were studied from five aspects which include dosage, temperature, mixing time, pH and concentration. The results showed that the optimal conditions are 30°C, pH 8.0, 20mg dosage of loofah fiber in 40ml solution and mixing time 25min. The optimal treatment conditions of mixed dyes were studied from the aspects of mixing time, the dosage of AL and the molar ratio of the two components in the mixed dyes.
Chlor-alkali producers evaluate safer alternatives to asbestos
DOE Office of Scientific and Technical Information (OSTI.GOV)
Stadig, W.
Until recently, 75% of all US capacity for producing chlor-alkali - more than 40% of the world's capacity - has used asbestos diaphragm-cell technology. Although the Environmental Protection Agency continues to exempt asbestos use in diaphragms from restrictions, producers are considering alternatives. In Germany, stringent regulations will ban asbestos in chlor-alkali production after 1994. Heavy fines were levied recently against some chlor-alkali producers in the United States when EPA inspectors found asbestos fibers in cell renewal areas. Restrictions on the mining of asbestos raise the cost of obtaining adequate amounts of high-quality asbestos and gradually raise the cost of transportingmore » and discarding spent diaphragms. Two alternatives are to use newly developed, non-asbestos diaphragms or to convert to existing ion-exchange membrane-cell technology. Only the former seems economical in the United States. The non-asbestos diaphragm is based on an inorganic polymer composite developed in 1988 as an asbestos substitute. The composite received Du Pont's Plunkett Award for Innovation with Teflon[trademark], landed on the National Development Association's 1991 Honor Roll and became a 1991 R D 100 Award winner. 6 figs.« less
NASA Astrophysics Data System (ADS)
Sidebottom, David L.
2015-03-01
In a recent paper, Hermansen, Mauro, and Yue [J. Chem. Phys. 140, 154501 (2014)] applied the temperature-dependent constraint theory to model both the glass transition temperature, Tg, and fragility, m, of a series of binary alkali phosphate glasses of the form (R2O)x (P2 O 5) 1 - x , where R represents an alkali species. Key to their success seems to be the retention of linear constraints between the alkali ion (R+) and the non-bridging oxygens near Tg, which allows the model to mimic a supposed minimum for both Tg(x) and m(x) located near x = 0.2. However, the authors have overlooked several recent studies that clearly show there is no minimum in m(x). We argue that the retention of the alkali ion constraints at these temperatures is unjustified and question whether the model calculations can be revised to meet the actual experimental data. We also discuss alternative interpretations for the fragility based on two-state thermodynamics that can accurately account for its compositional dependence.
Coupled ion redistribution and electronic breakdown in low-alkali boroaluminosilicate glass
DOE Office of Scientific and Technical Information (OSTI.GOV)
Choi, Doo Hyun, E-mail: cooldoo@add.re.kr; Randall, Clive, E-mail: car4@psu.edu; Furman, Eugene, E-mail: euf1@psu.edu
2015-08-28
Dielectrics with high electrostatic energy storage must have exceptionally high dielectric breakdown strength at elevated temperatures. Another important consideration in designing a high performance dielectric is understanding the thickness and temperature dependence of breakdown strengths. Here, we develop a numerical model which assumes a coupled ionic redistribution and electronic breakdown is applied to predict the breakdown strength of low-alkali glass. The ionic charge transport of three likely charge carriers (Na{sup +}, H{sup +}/H{sub 3}O{sup +}, Ba{sup 2+}) was used to calculate the ionic depletion width in low-alkali boroaluminosilicate which can further be used for the breakdown modeling. This model predictsmore » the breakdown strengths in the 10{sup 8}–10{sup 9 }V/m range and also accounts for the experimentally observed two distinct thickness dependent regions for breakdown. Moreover, the model successfully predicts the temperature dependent breakdown strength for low-alkali glass from room temperature up to 150 °C. This model showed that breakdown strengths were governed by minority charge carriers in the form of ionic transport (mostly sodium) in these glasses.« less
Lymphatic vessels correlate closely with inflammation index in alkali burned cornea.
Yan, Hao; Qi, Chaoxiu; Ling, Shiqi; Li, Weihua; Liang, Linyi
2010-08-01
To study the relationship between corneal lymphangiogenesis and inflammation in alkali burned corneas. Rat corneal lymphatic and blood vessels were labeled and distinguished by whole mount immunofluorescence and 5'-nase-alkaline phosphatase (5'-NA-ALP) double enzyme-histochemistry. Then, lymphatic vessel areas (LVA) and lymphatic vessel counting (LVC) were examined. Corneal inflammation was evaluated by inflammation index (IF) grading, histopathology, electron microscope, and polymorphonuclear leukocyte (PMN) infiltration. The relationship between LVC, LVA, IF, and PMN was examined, respectively. In addition, corneal lymphatic vessels of eleven human alkali burned corneas were examined by lymphatic vessel endothelial receptor (LYVE-1) immunohistochemistry. Corneal lymphangiogenesis occurred on Day 3, reached the peak at the end of two weeks, and disappeared five weeks after alkaline burns. Both LVA and LVC were strongly and positively correlated with IF after corneal alkaline burns. However, the relationship between LVC and PMN, between LVA and PMN were significant but converse. Among eleven human alkali burned corneas, corneal lymphangiogenesis was present in three corneas. Corneal lymphagiogenesis develops after alkaline burns and correlates closely with corneal inflammation.
NASA Astrophysics Data System (ADS)
Belfanti, S. A. D.; Gualda, G. A. R.
2017-12-01
Alkali-feldspar megacrysts (2-20 cm long) occur in many granitic rocks, providing extensive records of crystallization within magma bodies. We will use megacrysts from Yosemite National Park's Tuolumne Intrusive Suite to determine if and how megacrysts record recharge and eruption. Preliminary work has focused on 4 crystals. Based on BSE patterns, crystals can be divided into 3 zones: (1) the core, which represents the crystal's first growth and sometimes displays some resorption; (2) the interior, including a series of sub-zones that correspond to different growth periods; and (3) the rim, or outermost growth stage. Common BSE patterns include decreasing brightness from the inner portion of a growth period outward, increasing brightness towards either side of a boundary, and periods of constant brightness, for a full or partial period. Most mineral inclusions appear as single crystals ( 10-25%) or as groups of 2-4 crystals ( 60-75%). Large clusters of 10 or more individuals are less common ( 5-15%), and clusters of >20 crystals are rare ( 1-3%). Most crystals (85-95%) occur on growth boundaries or within the core. Magnetite is common in the more central parts of the interior zone, appearing only occasionally in the core and towards the rim. Accessories, amphibole, and biotite are more evenly distributed within the megacryst. Biotite and titanite grains large enough to display habit appear to be within 20 degrees of parallel with zone boundaries. Most other inclusions are small or not elongated enough to display clear alignment. The total volume of inclusions (excluding quartz and plagioclase, which have X-ray attenuation very similar to that of alkali feldspar) does not exceed 1% of megacryst volume. Plagioclase seems to be at least equal in volume to all other inclusions combined, but as noted above, its exact volume is currently indiscernible. Magnetite makes up about 1/6 of inclusion volume, zircon 1/3, and all others the remaining half. We will complement our dataset by performing XCT, BSE, EDS, and LA-ICP-MS analysis on the crystals, and continue to improve methods to better discern the zoning patterns. Identifying zoning patterns that are discernable from one another is an important first step towards understanding individual megacryst histories.
Zhang, Zhi-dan; Li, Qiao; Luo, Xiang-li; Jiang, Hai-chao; Zheng, Qing-fu; Zhao, Lan-po; Wang, Ji-hong
2014-08-01
The present paper took the typical saline-alkali soil in Jilin province as study object, and determinated the soil clay mineral composition characteristics of soil in paddy field and dry land. Then XRD spectrum was used to analyze the evolutionary mechanism of clay mineral in the two kinds of soil. The results showed that the physical and chemical properties of soil in paddy field were better than those in dry land, and paddy field would promote the weathering of mineral particles in saline-alkali soil and enhance the silt content. Paddy field soil showed a strong potassium-removal process, with a higher degree of clay mineral hydration and lower degree of illite crystallinity. Analysis of XRD spectrum showed that the clay mineral composition was similar in two kinds of soil, while the intensity and position of diffraction peak showed difference. The evolution process of clay mineral in dry land was S/I mixture-->vermiculite, while in paddy field it was S/I mixture-->vermiculite-->kaolinite. One kind of hydroxylated 'chlorite' mineral would appear in saline-alkali soil in long-term cultivated paddy field. Taking into account that the physical and chemical properties of soil in paddy field were better then those in dry land, we could know that paddy field could help much improve soil structure, cultivate high-fertility soil and improve saline-alkali soil. This paper used XRD spectrum to determine the characteristics of clay minerals comprehensively, and analyzed two'kinds of land use comparatively, and was a new perspective of soil minerals study.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chow, Edward, E-mail: Edward.Chow@sunnybrook.c; James, Jennifer; Barsevick, Andrea
Purpose: To explore the relationships (clusters) among the functional interference items in the Brief Pain Inventory (BPI) in patients with bone metastases. Methods: Patients enrolled in the Radiation Therapy Oncology Group (RTOG) 9714 bone metastases study were eligible. Patients were assessed at baseline and 4, 8, and 12 weeks after randomization for the palliative radiotherapy with the BPI, which consists of seven functional items: general activity, mood, walking ability, normal work, relations with others, sleep, and enjoyment of life. Principal component analysis with varimax rotation was used to determine the clusters between the functional items at baseline and the follow-up.more » Cronbach's alpha was used to determine the consistency and reliability of each cluster at baseline and follow-up. Results: There were 448 male and 461 female patients, with a median age of 67 years. There were two functional interference clusters at baseline, which accounted for 71% of the total variance. The first cluster (physical interference) included normal work and walking ability, which accounted for 58% of the total variance. The second cluster (psychosocial interference) included relations with others and sleep, which accounted for 13% of the total variance. The Cronbach's alpha statistics were 0.83 and 0.80, respectively. The functional clusters changed at week 12 in responders but persisted through week 12 in nonresponders. Conclusion: Palliative radiotherapy is effective in reducing bone pain. Functional interference component clusters exist in patients treated for bone metastases. These clusters changed over time in this study, possibly attributable to treatment. Further research is needed to examine these effects.« less
Sun, Liping; Luo, Yonglong; Ding, Xintao; Zhang, Ji
2014-01-01
An important component of a spatial clustering algorithm is the distance measure between sample points in object space. In this paper, the traditional Euclidean distance measure is replaced with innovative obstacle distance measure for spatial clustering under obstacle constraints. Firstly, we present a path searching algorithm to approximate the obstacle distance between two points for dealing with obstacles and facilitators. Taking obstacle distance as similarity metric, we subsequently propose the artificial immune clustering with obstacle entity (AICOE) algorithm for clustering spatial point data in the presence of obstacles and facilitators. Finally, the paper presents a comparative analysis of AICOE algorithm and the classical clustering algorithms. Our clustering model based on artificial immune system is also applied to the case of public facility location problem in order to establish the practical applicability of our approach. By using the clone selection principle and updating the cluster centers based on the elite antibodies, the AICOE algorithm is able to achieve the global optimum and better clustering effect.
Swaminathan, Sivakumar; Morrone, Dana; Wang, Qiang; Fulton, D. Bruce; Peters, Reuben J.
2009-01-01
Biosynthetic gene clusters are common in microbial organisms, but rare in plants, raising questions regarding the evolutionary forces that drive their assembly in multicellular eukaryotes. Here, we characterize the biochemical function of a rice (Oryza sativa) cytochrome P450 monooxygenase, CYP76M7, which seems to act in the production of antifungal phytocassanes and defines a second diterpenoid biosynthetic gene cluster in rice. This cluster is uniquely multifunctional, containing enzymatic genes involved in the production of two distinct sets of phytoalexins, the antifungal phytocassanes and antibacterial oryzalides/oryzadiones, with the corresponding genes being subject to distinct transcriptional regulation. The lack of uniform coregulation of the genes within this multifunctional cluster suggests that this was not a primary driving force in its assembly. However, the cluster is dedicated to specialized metabolism, as all genes in the cluster are involved in phytoalexin metabolism. We hypothesize that this dedication to specialized metabolism led to the assembly of the corresponding biosynthetic gene cluster. Consistent with this hypothesis, molecular phylogenetic comparison demonstrates that the two rice diterpenoid biosynthetic gene clusters have undergone independent elaboration to their present-day forms, indicating continued evolutionary pressure for coclustering of enzymatic genes encoding components of related biosynthetic pathways. PMID:19825834
Frickenhaus, Stephan; Kannan, Srinivasaraghavan; Zacharias, Martin
2009-02-01
A direct conformational clustering and mapping approach for peptide conformations based on backbone dihedral angles has been developed and applied to compare conformational sampling of Met-enkephalin using two molecular dynamics (MD) methods. Efficient clustering in dihedrals has been achieved by evaluating all combinations resulting from independent clustering of each dihedral angle distribution, thus resolving all conformational substates. In contrast, Cartesian clustering was unable to accurately distinguish between all substates. Projection of clusters on dihedral principal component (PCA) subspaces did not result in efficient separation of highly populated clusters. However, representation in a nonlinear metric by Sammon mapping was able to separate well the 48 highest populated clusters in just two dimensions. In addition, this approach also allowed us to visualize the transition frequencies between clusters efficiently. Significantly, higher transition frequencies between more distinct conformational substates were found for a recently developed biasing-potential replica exchange MD simulation method allowing faster sampling of possible substates compared to conventional MD simulations. Although the number of theoretically possible clusters grows exponentially with peptide length, in practice, the number of clusters is only limited by the sampling size (typically much smaller), and therefore the method is well suited also for large systems. The approach could be useful to rapidly and accurately evaluate conformational sampling during MD simulations, to compare different sampling strategies and eventually to detect kinetic bottlenecks in folding pathways.
Ma, Li; Sun, Jing; Yang, Zhaoguang; Wang, Lin
2015-12-01
Heavy metal contamination attracted a wide spread attention due to their strong toxicity and persistence. The Ganxi River, located in Chenzhou City, Southern China, has been severely polluted by lead/zinc ore mining activities. This work investigated the heavy metal pollution in agricultural soils around the Ganxi River. The total concentrations of heavy metals were determined by inductively coupled plasma-mass spectrometry. The potential risk associated with the heavy metals in soil was assessed by Nemerow comprehensive index and potential ecological risk index. In both methods, the study area was rated as very high risk. Multivariate statistical methods including Pearson's correlation analysis, hierarchical cluster analysis, and principal component analysis were employed to evaluate the relationships between heavy metals, as well as the correlation between heavy metals and pH, to identify the metal sources. Three distinct clusters have been observed by hierarchical cluster analysis. In principal component analysis, a total of two components were extracted to explain over 90% of the total variance, both of which were associated with anthropogenic sources.
Leong, Siow Hoo; Ong, Seng Huat
2017-01-01
This paper considers three crucial issues in processing scaled down image, the representation of partial image, similarity measure and domain adaptation. Two Gaussian mixture model based algorithms are proposed to effectively preserve image details and avoids image degradation. Multiple partial images are clustered separately through Gaussian mixture model clustering with a scan and select procedure to enhance the inclusion of small image details. The local image features, represented by maximum likelihood estimates of the mixture components, are classified by using the modified Bayes factor (MBF) as a similarity measure. The detection of novel local features from MBF will suggest domain adaptation, which is changing the number of components of the Gaussian mixture model. The performance of the proposed algorithms are evaluated with simulated data and real images and it is shown to perform much better than existing Gaussian mixture model based algorithms in reproducing images with higher structural similarity index.
Leong, Siow Hoo
2017-01-01
This paper considers three crucial issues in processing scaled down image, the representation of partial image, similarity measure and domain adaptation. Two Gaussian mixture model based algorithms are proposed to effectively preserve image details and avoids image degradation. Multiple partial images are clustered separately through Gaussian mixture model clustering with a scan and select procedure to enhance the inclusion of small image details. The local image features, represented by maximum likelihood estimates of the mixture components, are classified by using the modified Bayes factor (MBF) as a similarity measure. The detection of novel local features from MBF will suggest domain adaptation, which is changing the number of components of the Gaussian mixture model. The performance of the proposed algorithms are evaluated with simulated data and real images and it is shown to perform much better than existing Gaussian mixture model based algorithms in reproducing images with higher structural similarity index. PMID:28686634
NASA Astrophysics Data System (ADS)
Sharkov, Evgenii
2015-04-01
It is consensus now that within-plate magmatism is considered with ascending of mantle plumes and adiabatic melting of their head. At the same time composition of the plumes' matter and conditions of its adiabatic melting are unclear yet. The major source of objective information about it can be mantle xenoliths in alkali basalts and basanites which represent fragments of material of the plume heads above magma-generation zone. They are not represent material in melting zone, however, carry important information about material of modern mantle plumes, its phase composition and components, involved in melting. Populations of mantle xenoliths in basalts are characterized by surprising sameness in the world and represented by two major types: (1) dominated rocks of ``green'' series, and (2) more rare rocks of ``black'' series, which formed veins in the ``green'' series matrix. It can evidence about common composition of plume material in global scale. In other words, the both series of xenoliths represent two types of material of thermochemical mantle plumes, ascended from core-mantle boundary (Maruyama, 1994; Dobretsov et al., 2001). The same types of xenoliths are found in basalts and basanites of Western Syria (Sharkov et al., 1996). Rocks of ``green'' series are represented by Sp peridotites with cataclastic and protogranular structures and vary in composition from dominated spinel lherzolites to spinel harzburgites and rare spinel pyroxenites (websterites). It is probably evidence about incomplete homogenizing of the plume head matter, where material, underwent by partial melting, adjoins with more fertile material. Such heterogeneity was survived due to quick cooling of upper rim of the plume head in contact with relatively cold lithosphere. Essential role among xenoliths of the ``black'' series play Al-Ti-augite and water-bearing phases like hornblende (kaersutute) and Ti-phlogopite. Rocks of this series are represented by wehrlite, clinopyroxenite, amphibole clinopyroxenite, hornbledite, etc. as well as megacrysts of Al-Ti-augite, kaersutite, ilmenite, sanidine, etc. Numerous vesicles often occurred in megacrysts, especially in kaersurtite. Sp peridotites of the matrix are sharply different on their geochemical features from the ``black series'' rocks (in this case, megacrysts of kaersutite) which are the most close to composition of xenoliths-bearing alkali basalts. From this follows that geochemistry of plume-related basalts was determined by mantle fluids which occurred in magma-generation zone. Very likely, that these fluids, enriched in Fe, Ti, LREE, alkalis, and incompatible elements, initially were parts of intergranular material of original mantle plume material and were released due to its decompression. Because their high mobility, the fluids percolated upwards and accumulated in the upper part of the mantle plume head, where promoted its melting by lowering of solidus of the matter. Excess of the fluids gathered beneath the cooled upper rim and penetrated in its rocks which led to appearance of centers of secondary melting (melt-pockets). Very likely, that these secondary melts formed rocks of the ``black series'' (Ismail et al., 2008;Ryabchkov et al., 2011; Ma et al., 2014). According to geobarometric estimations, Sp peridotite xenoliths from Syria derived from depths 24-42 km (0.8-1.4 GPa) under temperatures 896-980oC; formation of melt-pockets, enriched in volatiles, occurred at the depths 21-27 km (0.7-0.9 GPa) under 826-981oC (Sharkov et al., 1996; Ismail et al., 2008; Ma et al., 2014). From this follows that plumeheads reached depths approximately 21-30 km which is in agree with practically absence of lower-crustal xenoliths in the populations. One of the problems of plume-related magmatism is coexisting of alkali and tholeiitic basalts, which origin often considered with different PT conditions. However, these basalt not rarely interlayered, especially at low and middle levels of LIPs or in single volcanoes (Hawaii, Etna, etc.) which is not in a good agreement with such idea. We suggest that the situation can be more likely explained by nonuniform impregnation of peridotite matrix with fluid components which composition and/or quantity can play essential role in composition of smeltings. It is especially important because even small differences in their ñomposition near to plane of SiO2 saturation in ``basalt tetrahedron'' (Yoder and Tilley, 1962) lead to appearance of Ne-normative or Ne-free melts at practically similar PT conditions. Thus, judging on composition of the mantle xenoliths in basalts of all occurrences in the world, quite possible that Sp peridotites (mainly lherzolites) together with intergranular geochemical-enriched fluid components represent the matter of the modern thermochemical mantle plumes. Origin of two major types of the plume-related magmas, probably, considered with fluid regime in the plume head.
Fogel, Paul; Gaston-Mathé, Yann; Hawkins, Douglas; Fogel, Fajwel; Luta, George; Young, S. Stanley
2016-01-01
Often data can be represented as a matrix, e.g., observations as rows and variables as columns, or as a doubly classified contingency table. Researchers may be interested in clustering the observations, the variables, or both. If the data is non-negative, then Non-negative Matrix Factorization (NMF) can be used to perform the clustering. By its nature, NMF-based clustering is focused on the large values. If the data is normalized by subtracting the row/column means, it becomes of mixed signs and the original NMF cannot be used. Our idea is to split and then concatenate the positive and negative parts of the matrix, after taking the absolute value of the negative elements. NMF applied to the concatenated data, which we call PosNegNMF, offers the advantages of the original NMF approach, while giving equal weight to large and small values. We use two public health datasets to illustrate the new method and compare it with alternative clustering methods, such as K-means and clustering methods based on the Singular Value Decomposition (SVD) or Principal Component Analysis (PCA). With the exception of situations where a reasonably accurate factorization can be achieved using the first SVD component, we recommend that the epidemiologists and environmental scientists use the new method to obtain clusters with improved quality and interpretability. PMID:27213413
Fogel, Paul; Gaston-Mathé, Yann; Hawkins, Douglas; Fogel, Fajwel; Luta, George; Young, S Stanley
2016-05-18
Often data can be represented as a matrix, e.g., observations as rows and variables as columns, or as a doubly classified contingency table. Researchers may be interested in clustering the observations, the variables, or both. If the data is non-negative, then Non-negative Matrix Factorization (NMF) can be used to perform the clustering. By its nature, NMF-based clustering is focused on the large values. If the data is normalized by subtracting the row/column means, it becomes of mixed signs and the original NMF cannot be used. Our idea is to split and then concatenate the positive and negative parts of the matrix, after taking the absolute value of the negative elements. NMF applied to the concatenated data, which we call PosNegNMF, offers the advantages of the original NMF approach, while giving equal weight to large and small values. We use two public health datasets to illustrate the new method and compare it with alternative clustering methods, such as K-means and clustering methods based on the Singular Value Decomposition (SVD) or Principal Component Analysis (PCA). With the exception of situations where a reasonably accurate factorization can be achieved using the first SVD component, we recommend that the epidemiologists and environmental scientists use the new method to obtain clusters with improved quality and interpretability.
NASA Astrophysics Data System (ADS)
Sivasankari, J.; Selvakumar Sellaiyan, S.; Sankar, S.; Devi, L. Vimala; Sivaji, K.
2017-01-01
Pure MgO, rare-earth (Er) doped MgO (MgO:Er), and alkali metal ions (Li, Na and K) co-doped MgO:Er [i.e. MgO: Er+X (X=Li, Na, and K)] nanopowders were synthesized by solution combustion method and characterized. The XRD analysis reveals the cubic structure and the substitution of dopants and co-dopants in MgO. Annealing at 800 °C, increases the sizes of nano-crystallites of all samples appreciably, indicating the grain growth and the improvement in crystallinity of all the samples. Increase in lattice parameter, d spacing and band gap were observed after annealing. Structural and morphological analysis using scanning electron microscope (SEM) and transmission electron microscope (TEM) studies has shown that the samples contain structures like agglomerated clusters. FT-IR spectra confirm the stretching mode of hydroxyl groups, carbonate and presence of MgO bonding. The characteristic wavelength ranging from 2600 cm-1 to 3000 cm-1 were assigned to transition of 4S3/2→4I13/2 and 4I11/2→4I15/2 of Er3+.
A new glass option for parenteral packaging.
Schaut, Robert A; Peanasky, John S; DeMartino, Steven E; Schiefelbein, Susan L
2014-01-01
Glass is the ideal material for parenteral packaging because of its chemical durability, hermeticity, strength, cleanliness, and transparency. Alkali borosilicate glasses have been used successfully for a long time, but they do have some issues relating to breakage, delamination, and variation in hydrolytic performance. In this paper, alkali aluminosilicate glasses are introduced as a possible alternative to alkali borosilicate glasses. An example alkali aluminosilicate glass is shown to meet the compendial requirements, and to have similar thermal, optical, and mechanical attributes as the current alkali borosilicate glasses. In addition, the alkali aluminosilicate performed as well or better than the current alkali borosilicates in extractables tests and stability studies, which suggests that it would be suitable for use with the studied liquid product formulation. The physical, mechanical, and optical properties of glass make it an ideal material for packaging injectable drugs and biologics. Alkali borosilicate glasses have been used successfully for a long time for these applications, but there are some issues. In this paper, alkali aluminosilicate glasses are introduced as a possible alternative to alkali borosilicate glasses. An example alkali aluminosilicate glass is shown to meet the requirements for packaging injectable drugs and biologics, and to be suitable for use with a particular liquid drug. © PDA, Inc. 2014.
Self-organization in a bimotility mixture of model microswimmers
NASA Astrophysics Data System (ADS)
Agrawal, Adyant; Babu, Sujin B.
2018-02-01
We study the cooperation and segregation dynamics in a bimotility mixture of microorganisms which swim at low Reynolds numbers via periodic deformations along the body. We employ a multiparticle collision dynamics method to simulate a two component mixture of artificial swimmers, termed as Taylor lines, which differ from each other only in the propulsion speed. The analysis reveals that a contribution of slower swimmers towards clustering, on average, is much larger as compared to the faster ones. We notice distinctive self-organizing dynamics, depending on the percentage difference in the speed of the two kinds. If this difference is large, the faster ones fragment the clusters of the slower ones in order to reach the boundary and form segregated clusters. Contrarily, when it is small, both kinds mix together at first, the faster ones usually leading the cluster and then gradually the slower ones slide out thereby also leading to segregation.
Photodissociation Studies of Metal-Containing Clusters and Complexes
NASA Astrophysics Data System (ADS)
Pilgrim, Jeffrey Scott
1995-01-01
There have been two major areas of investigation for researchers working with laser ablation in molecular beams. The first area is the study of weakly-bound complexes. These complexes are bound by electrostatic interactions. In the present study the weakly bound interactions of the rare gases with the magnesium ion are investigated with electronic spectroscopy. The second major area is the study of metal and metal-containing clusters. Examples of previous investigations are the alkali metal clusters and the fullerenes. The present investigation is on metal -carbon clusters. The so-called metallo-carbohedrenes and metal-carbon nanocrystals are studied. Resonance enhanced photodissociation spectroscopy is used to obtain electronic excitation spectra of the Mg^+-rare gas species in the ultraviolet region. This investigation is facilitated by a reflectron time-of-flight mass spectrometer. The interaction of the rare gas with the metal ion is attributed to a "solvation" of the atomic ion transition. Simple bonding arguments predict that the excited state is more bound than the ground state for these complexes. This will result in a shift of the complex vibronic origin to lower energy from the atomic ion transition. This is exactly what is observed in the experiment with progressively larger shifts for the heavier rare gases. The electronic excitation spectra allow the vibrational frequencies and anharmonicities for these complexes to be obtained for the excited state. In turn, the excited state bond dissociation energies can be determined. Finally, conservation of energy allows calculation of the ground state bond dissociation energies. In the metal-carbon systems the stability of the metallo-carbohedrene, met-car, stoichiometry is shown to extend into the transition period at least to the iron group. Photodissociation with a 532 nm laser causes a loss of metal atoms for met-cars formed with first row transition metals and a loss of metal-carbon units for met-cars formed from second-row transition metal atoms. Larger metal-carbon clusters are found to be face-centered-cubic nanocrystals. Photodissociation of these nanocrystals causes fragmentation into smaller nanocrystals. In addition, nanocrystals also dissociatively rearrange into the met -car structure. Two of the metal-carbon nanocrystals ( rm Ti_{14}C_{13 }^+ and rm V_{14 }C_{13}^+) fragment into the met-car with a trapped carbon atom.
Methods of recovering alkali metals
Krumhansl, James L; Rigali, Mark J
2014-03-04
Approaches for alkali metal extraction, sequestration and recovery are described. For example, a method of recovering alkali metals includes providing a CST or CST-like (e.g., small pore zeolite) material. The alkali metal species is scavenged from the liquid mixture by the CST or CST-like material. The alkali metal species is extracted from the CST or CST-like material.
Li, Yun; Qi, Benkun; Luo, Jianquan; Wan, Yinhua
2016-01-01
This study investigated the effect of alkali lignins with different molecular weights on enzymatic hydrolysis of lignocellulose. Different alkali lignins fractions, which were obtained from cascade ultrafiltration, were added into the dilute acid pretreated (DAP) and alkali pretreated (AP) rice straws respectively during enzymatic hydrolysis. The results showed that the addition of alkali lignins enhanced the hydrolysis and the enhancement for hydrolysis increased with increasing molecular weights of alkali lignins, with maximum enhancement being 28.69% for DAP and 20.05% for AP, respectively. The enhancement was partly attributed to the improved cellulase activity, and filter paper activity increased by 18.03% when adding lignin with highest molecular weight. It was found that the enhancement of enzymatic hydrolysis was correlated with the adsorption affinity of cellulase on alkali lignins, and the difference in surface charge and hydrophobicity of alkali lignins were responsible for the difference in affinity between cellulase and lignins. Copyright © 2015 Elsevier Ltd. All rights reserved.
Recovery of alkali metal constituents from catalytic coal conversion residues
Soung, Wen Y.
1984-01-01
In a coal gasification operation (32) or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein particles containing alkali metal residues are produced, alkali metal constituents are recovered from the particles by contacting them (46, 53, 61, 69) with water or an aqueous solution to remove water-soluble alkali metal constituents and produce an aqueous solution enriched in said constituents. The aqueous solution thus produced is then contacted with carbon dioxide (63) to precipitate silicon constituents, the pH of the resultant solution is increased (81), preferably to a value in the range between about 12.5 and about 15.0, and the solution of increased pH is evaporated (84) to increase the alkali metal concentration. The concentrated aqueous solution is then recycled to the conversion process (86, 18, 17) where the alkali metal constituents serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst.
New results for temperature rise in gain medium of operating DPAL causing its degradation
NASA Astrophysics Data System (ADS)
Zhdanov, B. V.; Rotondaro, M. D.; Shaffer, M. K.; Knize, R. J.
2017-10-01
Diode Pumped Alkali Laser (DPAL) is one of the main candidates for development of a high power directed energy system producing laser beam from a single aperture with high spatial quality. Currently, several groups in the US and abroad demonstrated DPAL systems with kW level output power and efficiency higher than 50%. At the same time, the DPAL power scaling experiments revealed some limiting effects, which require detailed study to understand the nature of these effects and ways to mitigate them. Examples of such effects are output power degradation in time, alkali cell windows and gain medium contamination and damage that causes lasing efficiency decrease or even lasing termination. These problems can be connected to thermal effects, ionization, chemical interactions between the gain medium components and alkali cells materials. Study of all these and, possibly, other limiting effects and ways to mitigate them is very important for high power DPAL development. In this paper we present our new results of experiments on measurements of the temperature rise in the gain medium of operating DPAL leading to the output power degradation even before visible damage in the gain cell occurs. This degradation can be both recoverable and non-recoverable, depending on operation conditions and the system design.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tournier, J.; El-Genk, M.S.; Huang, L.
1999-01-01
The Institute of Space and Nuclear Power Studies at the University of New Mexico has developed a computer simulation of cylindrical geometry alkali metal thermal-to-electric converter cells using a standard Fortran 77 computer code. The objective and use of this code was to compare the experimental measurements with computer simulations, upgrade the model as appropriate, and conduct investigations of various methods to improve the design and performance of the devices for improved efficiency, durability, and longer operational lifetime. The Institute of Space and Nuclear Power Studies participated in vacuum testing of PX series alkali metal thermal-to-electric converter cells and developedmore » the alkali metal thermal-to-electric converter Performance Evaluation and Analysis Model. This computer model consisted of a sodium pressure loss model, a cell electrochemical and electric model, and a radiation/conduction heat transfer model. The code closely predicted the operation and performance of a wide variety of PX series cells which led to suggestions for improvements to both lifetime and performance. The code provides valuable insight into the operation of the cell, predicts parameters of components within the cell, and is a useful tool for predicting both the transient and steady state performance of systems of cells.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tournier, J.; El-Genk, M.S.; Huang, L.
1999-01-01
The Institute of Space and Nuclear Power Studies at the University of New Mexico has developed a computer simulation of cylindrical geometry alkali metal thermal-to-electric converter cells using a standard Fortran 77 computer code. The objective and use of this code was to compare the experimental measurements with computer simulations, upgrade the model as appropriate, and conduct investigations of various methods to improve the design and performance of the devices for improved efficiency, durability, and longer operational lifetime. The Institute of Space and Nuclear Power Studies participated in vacuum testing of PX series alkali metal thermal-to-electric converter cells and developedmore » the alkali metal thermal-to-electric converter Performance Evaluation and Analysis Model. This computer model consisted of a sodium pressure loss model, a cell electrochemical and electric model, and a radiation/conduction heat transfer model. The code closely predicted the operation and performance of a wide variety of PX series cells which led to suggestions for improvements to both lifetime and performance. The code provides valuable insight into the operation of the cell, predicts parameters of components within the cell, and is a useful tool for predicting both the transient and steady state performance of systems of cells.« less
APPARATUS FOR THE PURIFICATION OF CALCIUM
Burnett, R.L.
1953-08-25
The present patent claims and describes an apparatus adapted to carry out a new process for the purification of calcium containing an alkali metal as impurity. The process consists of distilling the impure caldium in the presence of an inert gas and at a reduced pressure, condensing substantially pure calcium on a condensing surface of iron or a ferrous alloy and condensing the alkali metal on a separate surface, the two condensing surfaces being maintained at suitable temperatures by separate cooling means.
Research on the properties and interactions of simple atomic and ionic systems
NASA Technical Reports Server (NTRS)
Novick, R.
1972-01-01
Simple ionic systems were studied, such as metastable autoionizing states of the negative He ion, two-photon decay spectrum of metastable He ion, optical excitation with low energy ions, and lifetime measurements of singly ionized Li and metastable He ion. Simple atomic systems were also investigated. Metastable autoionizing atomic energy levels in alkali elements were included, along with lifetime measurements of Cr-53, group 2A isotopes, and alkali metal atoms using level crossing and optical double resonance spectroscopy.
Ultrapure glass optical waveguide development in microgravity by the sol-gel process
NASA Technical Reports Server (NTRS)
Mukherjee, S. P.
1980-01-01
The alkali-borosilicate system was selected as the glass system for the preparation of ultrapure low loss glasses suitable for optical communication. The effect of different oxide contents on the absorption loss was critically reviewed. One composition was chosen to develop the gel preparation procedure in the alkali-borosilicate system. In addition, several procedures for the preparation of gels based on two different approaches were developed. The influence of different preparation parameters were investigated qualitatively. Several conclusions are drawn from the results.
1983-06-01
the study of " hydrothermal " reaction of gels as the minimum energy route to ceramic consolidation. Ultra Low Thermal Expansion Ceramics - Dr. H. A...requirements can be accommodated. A series of OCCA’s, in particular, formamide and oxalic acid, and their use in making 100% S102, alkali-silicates, alkali...IIIB glass surface was proposed. The mechanisms of hydrothermal attach of two phase lithia-silicate glass-ceramics were identified and related to the
Mirjankar, Nikhil S; Fraga, Carlos G; Carman, April J; Moran, James J
2016-02-02
Chemical attribution signatures (CAS) for chemical threat agents (CTAs), such as cyanides, are being investigated to provide an evidentiary link between CTAs and specific sources to support criminal investigations and prosecutions. Herein, stocks of KCN and NaCN were analyzed for trace anions by high performance ion chromatography (HPIC), carbon stable isotope ratio (δ(13)C) by isotope ratio mass spectrometry (IRMS), and trace elements by inductively coupled plasma optical emission spectroscopy (ICP-OES). The collected analytical data were evaluated using hierarchical cluster analysis (HCA), Fisher-ratio (F-ratio), interval partial least-squares (iPLS), genetic algorithm-based partial least-squares (GAPLS), partial least-squares discriminant analysis (PLSDA), K nearest neighbors (KNN), and support vector machines discriminant analysis (SVMDA). HCA of anion impurity profiles from multiple cyanide stocks from six reported countries of origin resulted in cyanide samples clustering into three groups, independent of the associated alkali metal (K or Na). The three groups were independently corroborated by HCA of cyanide elemental profiles and corresponded to countries each having one known solid cyanide factory: Czech Republic, Germany, and United States. Carbon stable isotope measurements resulted in two clusters: Germany and United States (the single Czech stock grouped with United States stocks). Classification errors for two validation studies using anion impurity profiles collected over five years on different instruments were as low as zero for KNN and SVMDA, demonstrating the excellent reliability associated with using anion impurities for matching a cyanide sample to its factory using our current cyanide stocks. Variable selection methods reduced errors for those classification methods having errors greater than zero; iPLS-forward selection and F-ratio typically provided the lowest errors. Finally, using anion profiles to classify cyanides to a specific stock or stock group for a subset of United States stocks resulted in cross-validation errors ranging from 0 to 5.3%.
Method for the safe disposal of alkali metal
Johnson, Terry R.
1977-01-01
Alkali metals such as those employed in liquid metal coolant systems can be safely reacted to form hydroxides by first dissolving the alkali metal in relatively inert metals such as lead or bismuth. The alloy thus formed is contacted with a molten salt including the alkali metal hydroxide and possibly the alkali metal carbonate in the presence of oxygen. This oxidizes the alkali metal to an oxide which is soluble within the molten salt. The salt is separated and contacted with steam or steam-CO.sub.2 mixture to convert the alkali metal oxide to the hydroxide. These reactions can be conducted with minimal hydrogen evolution and with the heat of reaction distributed between the several reaction steps.
Statistical indicators of collective behavior and functional clusters in gene networks of yeast
NASA Astrophysics Data System (ADS)
Živković, J.; Tadić, B.; Wick, N.; Thurner, S.
2006-03-01
We analyze gene expression time-series data of yeast (S. cerevisiae) measured along two full cell-cycles. We quantify these data by using q-exponentials, gene expression ranking and a temporal mean-variance analysis. We construct gene interaction networks based on correlation coefficients and study the formation of the corresponding giant components and minimum spanning trees. By coloring genes according to their cell function we find functional clusters in the correlation networks and functional branches in the associated trees. Our results suggest that a percolation point of functional clusters can be identified on these gene expression correlation networks.
Analysis of expressed sequence tags from a NaHCO(3)-treated alkali-tolerant plant, Chloris virgata.
Nishiuchi, Shunsaku; Fujihara, Kazumasa; Liu, Shenkui; Takano, Tetsuo
2010-04-01
Chloris virgata Swartz (C. virgata) is a gramineous wild plant that can survive in saline-alkali areas in northeast China. To examine the tolerance mechanisms of C. virgata, we constructed a cDNA library from whole plants of C. virgata that had been treated with 100 mM NaHCO(3) for 24 h and sequenced 3168 randomly selected clones. Most (2590) of the expressed sequence tags (ESTs) showed significant similarity to sequences in the NCBI database. Of the 2590 genes, 1893 were unique. Gene Ontology (GO) Slim annotations were obtained for 1081 ESTs by BLAST2GO and it was found that 75 genes of them were annotated with GO terms "response to stress", "response to abiotic stimulus", and "response to biotic stimulus", indicating these genes were likely to function in tolerance mechanism of C. virgata. In a separate experiment, 24 genes that are known from previous studies to be associated with abiotic stress tolerance were further examined by real-time RT-PCR to see how their expressions were affected by NaHCO(3) stress. NaHCO(3) treatment up-regulated the expressions of pathogenesis-related gene (DC998527), Win1 precursor gene (DC998617), catalase gene (DC999385), ribosome inactivating protein 1 (DC999555), Na(+)/H(+) antiporter gene (DC998043), and two-component regulator gene (DC998236). Copyright 2010 Elsevier Masson SAS. All rights reserved.
Optical properties of a nanostructured glass-based film using spectroscopic ellipsometry
Jellison, G. E.; Aytug, T.; Lupini, A. R.; ...
2015-12-22
Nanostructured glass films, which are fabricated using spinodally phase-separated low-alkali glasses, have several interesting and useful characteristics, including being robust, non-wetting and antireflective. Spectroscopic ellipsometry measurements have been performed on one such film and its optical properties were analyzed using a 5-layer structural model of the near-surface region. Since the glass and the film are transparent over the spectral region of the measurement, the Sellmeier model is used to parameterize the dispersion in the refractive index. To simulate the variation of the optical properties of the film over the spot size of the ellipsometer (~ 3 × 5 mm), themore » Sellmeier amplitude is convoluted using a Gaussian distribution. The transition layers between the ambient and the film and between the film and the substrate are modeled as graded layers, where the refractive index varies as a function of depth. These layers are modeled using a two-component Bruggeman effective medium approximation where the two components are the layer above and the layer below. Lastly, the fraction is continuous through the transition layer and is modelled using the incomplete beta function.« less
A HYDRODYNAMICAL SOLUTION FOR THE ''TWIN-TAILED'' COLLIDING GALAXY CLUSTER ''EL GORDO''
DOE Office of Scientific and Technical Information (OSTI.GOV)
Molnar, Sandor M.; Broadhurst, Tom, E-mail: sandor@phys.ntu.edu.tw
The distinctive cometary X-ray morphology of the recently discovered massive galaxy cluster ''El Gordo'' (ACT-CT J0102–4915; z = 0.87) indicates that an unusually high-speed collision is ongoing between two massive galaxy clusters. A bright X-ray ''bullet'' leads a ''twin-tailed'' wake, with the Sunyaev-Zel'dovich (SZ) centroid at the end of the northern tail. We show how the physical properties of this system can be determined using our FLASH-based, N-body/hydrodynamic model, constrained by detailed X-ray, SZ, and Hubble lensing and dynamical data. The X-ray morphology and the location of the two dark matter components and the SZ peak are accurately described by amore » simple binary collision viewed about 480 million years after the first core passage. We derive an impact parameter of ≅300 kpc, and a relative initial infall velocity of ≅2250 km s{sup –1} when separated by the sum of the two virial radii assuming an initial total mass of 2.15 × 10{sup 15} M {sub ☉} and a mass ratio of 1.9. Our model demonstrates that tidally stretched gas accounts for the northern X-ray tail along the collision axis between the mass peaks, and that the southern tail lies off axis, comprising compressed and shock heated gas generated as the less massive component plunges through the main cluster. The challenge for ΛCDM will be to find out if this physically extreme event can be plausibly accommodated when combined with the similarly massive, high-infall-velocity case of the Bullet cluster and other such cases being uncovered in new SZ based surveys.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wei, Xiaoliang; Xia, Gordon; Kirby, Brent W.
Aiming to explore low-cost redox flow battery systems, a novel iron-polysulfide (Fe/S) flow battery has been demonstrated in a laboratory cell. This system employs alkali metal ferri/ferrocyanide and alkali metal polysulfides as the redox electrolytes. When proper electrodes, such as pretreated graphite felts, are used, 78% energy efficiency and 99% columbic efficiency are achieved. The remarkable advantages of this system over current state-of-the-art redox flow batteries include: 1) less corrosive and relatively environmentally benign redox solutions used; 2) excellent energy and utilization efficiencies; 3) low cost for redox electrolytes and cell components. These attributes can lead to significantly reduced capitalmore » cost and make the Fe/S flow battery system a promising low-cost energy storage technology. The major drawbacks of the present cell design are relatively low power density and possible sulfur species crossover. Further work is underway to address these concerns.« less
Song, Xueping; Jiang, Yan; Rong, Xianjian; Wei, Wei; Wang, Shuangfei; Nie, Shuangxi
2016-09-01
The surface characterization and chemical analysis of bamboo substrates by alkali hydrogen peroxide pretreatment (AHPP) were investigated in this study. The results tended to manifest that AHPP prior to enzymatic and chemical treatment was potential for improving accessibility and reactivity of bamboo substrates. The inorganic components, organic solvent extractives and acid-soluble lignin were effectively removed by AHPP. X-ray photoelectron spectroscopy (XPS) analysis indicated that the surface of bamboo chips had less lignin but more carbohydrate after pre-treatment. Fiber surfaces became etched and collapsed, and more pores and debris on the substrate surface were observed with Scanning Electron Microscopy (SEM). Brenauer-Emmett-Teller (BET) results showed that both of pore volume and surface area were increased after AHPP. Although XRD analysis showed that AHPP led to relatively higher crystallinity, pre-extraction could overall enhance the accessibility of enzymes and chemicals into the bamboo structure. Copyright © 2016. Published by Elsevier Ltd.
Friedman, Lisa; Kolter, Roberto
2004-01-01
Pseudomonas aeruginosa forms biofilms, which are cellular aggregates encased in an extracellular matrix. Molecular genetics studies of three common autoaggregative phenotypes, namely wrinkled colonies, pellicles, and solid-surface-associated biofilms, led to the identification of two loci, pel and psl, that are involved in the production of carbohydrate-rich components of the biofilm matrix. The pel gene cluster is involved in the production of a glucose-rich matrix material in P. aeruginosa strain PA14 (L. Friedman and R. Kolter, Mol. Microbiol. 51:675-690, 2004). Here we investigate the role of the pel gene cluster in P. aeruginosa strain ZK2870 and identify a second genetic locus, termed psl, involved in the production of a mannose-rich matrix material. The 11 predicted protein products of the psl genes are homologous to proteins involved in carbohydrate processing. P. aeruginosa is thus able to produce two distinct carbohydrate-rich matrix materials. Either carbohydrate-rich matrix component appears to be sufficient for mature biofilm formation, and at least one of them is required for mature biofilm formation in P. aeruginosa strains PA14 and ZK2870. PMID:15231777
Friedman, Lisa; Kolter, Roberto
2004-07-01
Pseudomonas aeruginosa forms biofilms, which are cellular aggregates encased in an extracellular matrix. Molecular genetics studies of three common autoaggregative phenotypes, namely wrinkled colonies, pellicles, and solid-surface-associated biofilms, led to the identification of two loci, pel and psl, that are involved in the production of carbohydrate-rich components of the biofilm matrix. The pel gene cluster is involved in the production of a glucose-rich matrix material in P. aeruginosa strain PA14 (L. Friedman and R. Kolter, Mol. Microbiol. 51:675-690, 2004). Here we investigate the role of the pel gene cluster in P. aeruginosa strain ZK2870 and identify a second genetic locus, termed psl, involved in the production of a mannose-rich matrix material. The 11 predicted protein products of the psl genes are homologous to proteins involved in carbohydrate processing. P. aeruginosa is thus able to produce two distinct carbohydrate-rich matrix materials. Either carbohydrate-rich matrix component appears to be sufficient for mature biofilm formation, and at least one of them is required for mature biofilm formation in P. aeruginosa strains PA14 and ZK2870. Copyright 2004 American Society for Microbiology
Calcium-Alkali Syndrome in the Modern Era
Patel, Ami M.; Adeseun, Gbemisola A.; Goldfarb, Stanley
2013-01-01
The ingestion of calcium, along with alkali, results in a well-described triad of hypercalcemia, metabolic alkalosis, and renal insufficiency. Over time, the epidemiology and root cause of the syndrome have shifted, such that the disorder, originally called the milk-alkali syndrome, is now better described as the calcium-alkali syndrome. The calcium-alkali syndrome is an important cause of morbidity that may be on the rise, an unintended consequence of shifts in calcium and vitamin D intake in segments of the population. We review the pathophysiology of the calcium-alkali syndrome. PMID:24288027
Effects of pH on frog gustatory responses to chloride salts of alkali-metal and alkali-earth-metal.
Kumai, T; Nomura, H
1980-01-01
The pH effects on frog gustatory responses to alkali-metal and alkali-earth-metal chloride salts were examined using single fungi-form papilla preparations. Responses to 0.1-0.5 M NaCl were clearly dependent upon the pH of the stimulating solutions. The responses increased as the pH decreased from 6.5 to 4.5 and were almost completely suppressed at pH's above 6.5. There was no significant difference in the pH dependency of the response among alkali-metal chlorides. HCl solutions elicited only a poor response under conditions in which the water response was suppressed by the simultaneous presence of a low NaCl concentration. Responses to alkali-earth-metal chlorides varied in their pH dependency. Response to CaCl2 was slightly affected by pH changes from 4.5 to 9.0, response to SrCl2 was considerably suppressed in the alkaline region, and responses to BaCl2 and MgCl2 were strongly suppressed at pH's above 6.5. BeCl2 solutions showed less marked stimulating effects over the pH range tested. The differences in pH dependency described above suggest the existence of two kinds of receptor sites, one being pH-insensitive sites responsible for the calcium response and the other pH-sensitive sites responsible for the sodium response. A cross-adaptation test appeared to support this possibility. Assuming that the pH effect mentioned is related to changes in the state of ionization of the receptor molecule, the pKa of the ionizable group responsible for the sodium response was determined to be approximately 5.5.
Brambilla, Giovanni; Maffei, Luigi; Di Gabriele, Maria; Gallo, Veronica
2013-07-01
An experimental study was carried out in 20 squares in the center of Rome, covering a wide range of different uses, sonic environments, geometry, and architectural styles. Soundwalks along the perimeter of each square were performed during daylight and weekdays taking binaural and video recordings, as well as spot measurements of illuminance. The cluster analysis performed on the physical parameters, not only acoustic, provided two clusters that are in satisfactory agreement with the "a priori" classification. Applying the principal component analysis (PCA) to five physical parameters, two main components were obtained which might be associated to two environmental features, namely, "chaotic/calm" and "open/enclosed." On the basis of these two features, six squares were selected for the laboratory audio-video tests where 32 subjects took part filling in a questionnaire. The PCA performed on the subjective ratings on the sonic environment showed two main components which might be associated to two emotional meanings, namely, "calmness" and "vibrancy." The linear regression modeling between five objective parameters and the mean value of subjective ratings on chaotic/calm and enclosed/open attributes showed a good correlation. Notwithstanding these interesting results being limited to the specific data set, it is worth pointing out that the complexity of the soundscape quality assessment can be more comprehensively examined merging the field measurements of physical parameters with the subjective ratings provided by field and/or laboratory tests.
Open-framework micro- and meso-structured chalcogenides and their ion exchange properties
NASA Astrophysics Data System (ADS)
Ding, Nan
2007-12-01
Micro- and meso- structured chalcogenides with open inorganic framework have driven tremendous attention and intense work during the last two decades. They belong to a special category of materials possessing multifunctional potential due to their large void space within the atomic skeletons and the novel physical properties brought by the chalcogen elements. The latter are not generally present in typical open-framework oxides. In addition, because of the different size and electronegativity of the chalcogen elements compared to oxygen, many new structural properties were expected to emerge when the work in this dissertation was undertaken. The major body of this work involves group 13 (e.g. Ga, In) or 14 (e.g. Ge, Sn) elements with chalcogen. Transition metals also are incorporated in a few examples. The first two groups of compounds reported belong to the latter case. Unique structure types have been obtained under hydrothermal conditions via the combination of M (M = Zn, Cd), Sn and Q (Q = S, Se) to build microporous A6M4Sn3Q13 (A = K, Rb) based on truncated penta-supertrahedral cluster [M4Sn4Q 17]10-. More surprisingly, the protonation of K 6Cd4Sn3Se13 led to another new compound K14Cd15Sn12Se46 which possesses a labyrinth-like void space within the compact [Cd15Sn12Se 46]14- anionic skeleton. This structural characteristic leads to an unusual stability of the compound in acid. Both the K6Cd 4Sn3Se13 and K14Cd15Sn 12Se46 are fast ion-exchangers and their K+ ions can be replaced by other alkali metal cations and even H+ for the latter. Other work reported was aimed at the heavier analogs of alumiophosphate, i.e. the open-frameworks based on group 13 (Ga, In), 15 (Sb) and chalcogen elements. Two groups of chalcoantimonates with two-dimensional architectures [M5Sb6S19]5- and polymorphic [M2Sb2Q7]2- (M = Ga, In; Q = S, Se) were obtained. With the help of bulky organic structure-directing agents, large windows were formed in some of these anionic slabs. The windows are aligned through each layer, adding a pseudo-3D feature to the compounds. This leads to excellent ion-exchange properties. More remarkably, these compounds showed exceptional selectivity for Cs+ ions than any other alkali metal and alkaline earth metal cations due to the soft acid (Cs +)/soft base (S2-) attraction and the size discrimination imposed by the open windows within the frameworks. These properties point to a new direction of designing compounds for possible radioactive 137Cs+ remediation. With the even larger surfactant molecules in water, metal cations In 3+, Zn2+ and Cd2+ can connect [SbSe 4]3- clusters via coordination chemistry to form cubic and hexagonal mesophases. In addition to the linking effect, these metal cations also played the role of Lewis acids and partially reduced [SbSe4] 3- to [SbSe3]3-, both of which are present in the long-range ordered mesostructures. Short range order in a mesostuctured chalcogenide was approached, when structurally rigid Chevrel clusters [Re 6Se6Br8]2- were linked by triselenide anions via metathesis. Higher angle Bragg reflections of this compound provided an opportunity to build a structural model for the first time for a chalcogen-based mesophase.
Structure and Function of 4-Hydroxyphenylacetate Decarboxylase and Its Cognate Activating Enzyme.
Selvaraj, Brinda; Buckel, Wolfgang; Golding, Bernard T; Ullmann, G Matthias; Martins, Berta M
2016-01-01
4-Hydroxyphenylacetate decarboxylase (4Hpad) is the prototype of a new class of Fe-S cluster-dependent glycyl radical enzymes (Fe-S GREs) acting on aromatic compounds. The two-enzyme component system comprises a decarboxylase responsible for substrate conversion and a dedicated activating enzyme (4Hpad-AE). The decarboxylase uses a glycyl/thiyl radical dyad to convert 4-hydroxyphenylacetate into p-cresol (4-methylphenol) by a biologically unprecedented Kolbe-type decarboxylation. In addition to the radical dyad prosthetic group, the decarboxylase unit contains two [4Fe-4S] clusters coordinated by an extra small subunit of unknown function. 4Hpad-AE reductively cleaves S-adenosylmethionine (SAM or AdoMet) at a site-differentiated [4Fe-4S]2+/+ cluster (RS cluster) generating a transient 5'-deoxyadenosyl radical that produces a stable glycyl radical in the decarboxylase by the abstraction of a hydrogen atom. 4Hpad-AE binds up to two auxiliary [4Fe-4S] clusters coordinated by a ferredoxin-like insert that is C-terminal to the RS cluster-binding motif. The ferredoxin-like domain with its two auxiliary clusters is not vital for SAM-dependent glycyl radical formation in the decarboxylase, but facilitates a longer lifetime for the radical. This review describes the 4Hpad and cognate AE families and focuses on the recent advances and open questions concerning the structure, function and mechanism of this novel Fe-S-dependent class of GREs. © 2016 S. Karger AG, Basel.
Cluster Physics with Merging Galaxy Clusters
NASA Astrophysics Data System (ADS)
Molnar, Sandor
Collisions between galaxy clusters provide a unique opportunity to study matter in a parameter space which cannot be explored in our laboratories on Earth. In the standard ΛCDM model, where the total density is dominated by the cosmological constant (Λ) and the matter density by cold dark matter (CDM), structure formation is hierarchical, and clusters grow mostly by merging. Mergers of two massive clusters are the most energetic events in the universe after the Big Bang, hence they provide a unique laboratory to study cluster physics. The two main mass components in clusters behave differently during collisions: the dark matter is nearly collisionless, responding only to gravity, while the gas is subject to pressure forces and dissipation, and shocks and turbulence are developed during collisions. In the present contribution we review the different methods used to derive the physical properties of merging clusters. Different physical processes leave their signatures on different wavelengths, thus our review is based on a multifrequency analysis. In principle, the best way to analyze multifrequency observations of merging clusters is to model them using N-body/HYDRO numerical simulations. We discuss the results of such detailed analyses. New high spatial and spectral resolution ground and space based telescopes will come online in the near future. Motivated by these new opportunities, we briefly discuss methods which will be feasible in the near future in studying merging clusters.
Role of social environment and social clustering in spread of opinions in coevolving networks.
Malik, Nishant; Mucha, Peter J
2013-12-01
Taking a pragmatic approach to the processes involved in the phenomena of collective opinion formation, we investigate two specific modifications to the coevolving network voter model of opinion formation studied by Holme and Newman [Phys. Rev. E 74, 056108 (2006)]. First, we replace the rewiring probability parameter by a distribution of probability of accepting or rejecting opinions between individuals, accounting for heterogeneity and asymmetric influences in relationships between individuals. Second, we modify the rewiring step by a path-length-based preference for rewiring that reinforces local clustering. We have investigated the influences of these modifications on the outcomes of simulations of this model. We found that varying the shape of the distribution of probability of accepting or rejecting opinions can lead to the emergence of two qualitatively distinct final states, one having several isolated connected components each in internal consensus, allowing for the existence of diverse opinions, and the other having a single dominant connected component with each node within that dominant component having the same opinion. Furthermore, more importantly, we found that the initial clustering in the network can also induce similar transitions. Our investigation also indicates that these transitions are governed by a weak and complex dependence on system size. We found that the networks in the final states of the model have rich structural properties including the small world property for some parameter regimes.
EXTINGUISHMENT OF ALKALI METAL FIRES
Contents: Effect of inert gas nket and ow O2 partial pressures on alkali metal fires Extinguishment of small scale fires Extinguishment of alkali... metal fires using inorganic salt foam Alkali metal jet stream ignition at various pressure conditions
Petrography and physicomechanical properties of rocks from the Ambela granitic complex, NW Pakistan.
Arif, Mohammad; Bukhari, S Wajid Hanif; Muhammad, Noor; Sajid, Muhammad
2013-01-01
Petrography and physicomechanical properties of alkali granites, alkali quartz syenite, and nepheline syenite from Ambela, NW Pakistan, have been investigated. Whereas the alkali quartz syenite and most of the alkali granites are megaporphyritic, the nepheline syenite and some of the alkali granites are microporphyritic. Their phenocryst shape and size and abundance of groundmass are also different. The values of unconfined compressive strength (UCS) are the lowest and highest for megaporphyritic alkali granite and alkali quartz syenite, respectively. However, all the four rock types are moderately strong. Correspondingly, their specific gravity and water absorption values are within the permissible range for use as construction material. The UCS for the alkali quartz syenite is the highest, most probably because (i) it has roughly equal amounts of phenocryst and groundmass, (ii) it displays maximum size contrast between phenocryst and groundmass, (iii) its phenocrysts are highly irregular, and (iv) it contains substantial amounts of quartz.
Process to separate alkali metal salts from alkali metal reacted hydrocarbons
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gordon, John Howard; Alvare, Javier; Larsen, Dennis
A process to facilitate gravimetric separation of alkali metal salts, such as alkali metal sulfides and polysulfides, from alkali metal reacted hydrocarbons. The disclosed process is part of a method of upgrading a hydrocarbon feedstock by removing heteroatoms and/or one or more heavy metals from the hydrocarbon feedstock composition. This method reacts the oil feedstock with an alkali metal and an upgradant hydrocarbon. The alkali metal reacts with a portion of the heteroatoms and/or one or more heavy metals to form an inorganic phase containing alkali metal salts and reduced heavy metals, and an upgraded hydrocarbon feedstock. The inorganic phasemore » may be gravimetrically separated from the upgraded hydrocarbon feedstock after mixing at a temperature between about 350.degree. C. to 400.degree. C. for a time period between about 15 minutes and 2 hours.« less
Electrolytic systems and methods for making metal halides and refining metals
Holland, Justin M.; Cecala, David M.
2015-05-26
Disclosed are electrochemical cells and methods for producing a halide of a non-alkali metal and for electrorefining the halide. The systems typically involve an electrochemical cell having a cathode structure configured for dissolving a hydrogen halide that forms the halide into a molten salt of the halogen and an alkali metal. Typically a direct current voltage is applied across the cathode and an anode that is fabricated with the non-alkali metal such that the halide of the non-alkali metal is formed adjacent the anode. Electrorefining cells and methods involve applying a direct current voltage across the anode where the halide of the non-alkali metal is formed and the cathode where the non-alkali metal is electro-deposited. In a representative embodiment the halogen is chlorine, the alkali metal is lithium and the non-alkali metal is uranium.
Petrography and Physicomechanical Properties of Rocks from the Ambela Granitic Complex, NW Pakistan
Arif, Mohammad; Bukhari, S. Wajid Hanif; Muhammad, Noor; Sajid, Muhammad
2013-01-01
Petrography and physicomechanical properties of alkali granites, alkali quartz syenite, and nepheline syenite from Ambela, NW Pakistan, have been investigated. Whereas the alkali quartz syenite and most of the alkali granites are megaporphyritic, the nepheline syenite and some of the alkali granites are microporphyritic. Their phenocryst shape and size and abundance of groundmass are also different. The values of unconfined compressive strength (UCS) are the lowest and highest for megaporphyritic alkali granite and alkali quartz syenite, respectively. However, all the four rock types are moderately strong. Correspondingly, their specific gravity and water absorption values are within the permissible range for use as construction material. The UCS for the alkali quartz syenite is the highest, most probably because (i) it has roughly equal amounts of phenocryst and groundmass, (ii) it displays maximum size contrast between phenocryst and groundmass, (iii) its phenocrysts are highly irregular, and (iv) it contains substantial amounts of quartz. PMID:23861654
Sodium to sodium carbonate conversion process
Herrmann, Steven D.
1997-01-01
A method of converting radioactive alkali metal into a low level disposable solid waste material. The radioactive alkali metal is atomized and introduced into an aqueous caustic solution having caustic present in the range of from about 20 wt % to about 70 wt % to convert the radioactive alkali metal to a radioactive alkali metal hydroxide. The aqueous caustic containing radioactive alkali metal hydroxide and CO.sub.2 are introduced into a thin film evaporator with the CO.sub.2 present in an amount greater than required to convert the alkali metal hydroxide to a radioactive alkali metal carbonate, and thereafter the radioactive alkali metal carbonate is separated from the thin film evaporator as a dry powder. Hydroxide solutions containing toxic metal hydroxide including one or more metal ions of Sb, As, Ba, Be, Cd, Cr, Pb, Hg, Ni, Se, Ag and T1 can be converted into a low level non-hazardous waste using the thin film evaporator of the invention.
Song, Yuqiao; Liao, Jie; Dong, Junxing; Chen, Li
2015-09-01
The seeds of grapevine (Vitis vinifera) are a byproduct of wine production. To examine the potential value of grape seeds, grape seeds from seven sources were subjected to fingerprinting using direct analysis in real time coupled with time-of-flight mass spectrometry combined with chemometrics. Firstly, we listed all reported components (56 components) from grape seeds and calculated the precise m/z values of the deprotonated ions [M-H](-) . Secondly, the experimental conditions were systematically optimized based on the peak areas of total ion chromatograms of the samples. Thirdly, the seven grape seed samples were examined using the optimized method. Information about 20 grape seed components was utilized to represent characteristic fingerprints. Finally, hierarchical clustering analysis and principal component analysis were performed to analyze the data. Grape seeds from seven different sources were classified into two clusters; hierarchical clustering analysis and principal component analysis yielded similar results. The results of this study lay the foundation for appropriate utilization and exploitation of grape seed samples. Due to the absence of complicated sample preparation methods and chromatographic separation, the method developed in this study represents one of the simplest and least time-consuming methods for grape seed fingerprinting. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Systems Analysis of GPS Electrical Power System Redesign
1995-12-01
Table 8 - System Efficiencies & Multipliers for Solar Direct Model (12:102; 15:864) Component Efficiency AMTEC 0.180 Receiver and Thermal Energy Storage...and low temperatures of the working fluid. Extreme high and low temperatures provide a greater efficiency , but require extensive thermal control and...direct conversion category. The Alkali Metal Thermal -to-Electric Converter ( AMTEC ) shows mass and cost savings due to efficiencies significantly higher
Cluster formation by allelomimesis in real-world complex adaptive systems
NASA Astrophysics Data System (ADS)
Juanico, Dranreb Earl; Monterola, Christopher; Saloma, Caesar
2005-04-01
Animal and human clusters are complex adaptive systems and many organize in cluster sizes s that obey the frequency distribution D(s)∝s-τ . The exponent τ describes the relative abundance of the cluster sizes in a given system. Data analyses reveal that real-world clusters exhibit a broad spectrum of τ values, 0.7 (tuna fish schools) ⩽τ⩽4.61 (T4 bacteriophage gene family sizes). Allelomimesis is proposed as an underlying mechanism for adaptation that explains the observed broad τ spectrum. Allelomimesis is the tendency of an individual to imitate the actions of others and two cluster systems have different τ values when their component agents display unequal degrees of allelomimetic tendencies. Cluster formation by allelomimesis is shown to be of three general types: namely, blind copying, information-use copying, and noncopying. Allelomimetic adaptation also reveals that the most stable cluster size is formed by three strongly allelomimetic individuals. Our finding is consistent with available field data taken from killer whales and marmots.
Salts of alkali metal anions and process of preparing same
Dye, James L.; Ceraso, Joseph M.; Tehan, Frederick J.; Lok, Mei Tak
1978-01-01
Compounds of alkali metal anion salts of alkali metal cations in bicyclic polyoxadiamines are disclosed. The salts are prepared by contacting an excess of alkali metal with an alkali metal dissolving solution consisting of a bicyclic polyoxadiamine in a suitable solvent, and recovered by precipitation. The salts have a gold-color crystalline appearance and are stable in a vacuum at -10.degree. C. and below.
Rydberg States of Alkali Metal Atoms on Superfluid Helium Droplets - Theoretical Considerations
NASA Astrophysics Data System (ADS)
Pototschnig, Johann V.; Lackner, Florian; Hauser, Andreas W.; Ernst, Wolfgang E.
2017-06-01
The bound states of electrons on the surface of superfluid helium have been a research topic for several decades. One of the first systems treated was an electron bound to an ionized helium cluster. Here, a similar system is considered, which consists of a helium droplet with an ionized dopant inside and an orbiting electron on the outside. In our theoretical investigation we select alkali metal atoms (AK) as central ions, stimulated by recent experimental studies of Rydberg states for Na, Rb, and Cs attached to superfluid helium nanodroplets. Experimental spectra , obtained by electronic excitation and subsequent ionization, showed blueshifts for low lying electronic states and redshifts for Rydberg states. In our theoretical treatment the diatomic AK^+-He potential energy curves are first computed with ab initio methods. These potentials are then used to calculate the solvation energy of the ion in a helium droplet as a function of the number of atoms. Additional potential terms, derived from the obtained helium density distribution, are added to the undisturbed atomic pseudopotential in order to simulate a 'modified' potential felt by the outermost electron. This allows us to compute a new set of eigenstates and eigenenergies, which we compare to the experimentally observed energy shifts for highly excited alkali metal atoms on helium nanodroplets. A. Golov and S. Sekatskii, Physica B, 1994, 194, 555-556 E. Loginov, C. Callegari, F. Ancilotto, and M. Drabbels, J. Phys. Chem. A, 2011, 115, 6779-6788 F. Lackner, G. Krois, M. Koch, and W. E. Ernst, J. Phys. Chem. Lett., 2012, 3, 1404-1408 F. Lackner, G. Krois, M. Theisen, M. Koch, and W. E. Ernst, Phys. Chem. Chem. Phys., 2011, 13, 18781-18788
Effect of Alkali Metal Cations on Slow Inactivation of Cardiac Na+ Channels
Townsend, Claire; Horn, Richard
1997-01-01
Human heart Na+ channels were expressed transiently in both mammalian cells and Xenopus oocytes, and Na+ currents measured using 150 mM intracellular Na+. The kinetics of decaying outward Na+ current in response to 1-s depolarizations in the F1485Q mutant depends on the predominant cation in the extracellular solution, suggesting an effect on slow inactivation. The decay rate is lower for the alkali metal cations Li+, Na+, K+, Rb+, and Cs+ than for the organic cations Tris, tetramethylammonium, N-methylglucamine, and choline. In whole cell recordings, raising [Na+]o from 10 to 150 mM increases the rate of recovery from slow inactivation at −140 mV, decreases the rate of slow inactivation at relatively depolarized voltages, and shifts steady-state slow inactivation in a depolarized direction. Single channel recordings of F1485Q show a decrease in the number of blank (i.e., null) records when [Na+]o is increased. Significant clustering of blank records when depolarizing at a frequency of 0.5 Hz suggests that periods of inactivity represent the sojourn of a channel in a slow-inactivated state. Examination of the single channel kinetics at +60 mV during 90-ms depolarizations shows that neither open time, closed time, nor first latency is significantly affected by [Na+]o. However raising [Na+]o decreases the duration of the last closed interval terminated by the end of the depolarization, leading to an increased number of openings at the depolarized voltage. Analysis of single channel data indicates that at a depolarized voltage a single rate constant for entry into a slow-inactivated state is reduced in high [Na+]o, suggesting that the binding of an alkali metal cation, perhaps in the ion-conducting pore, inhibits the closing of the slow inactivation gate. PMID:9234168
Carbonation of metal silicates for long-term CO2 sequestration
Blencoe, James G; Palmer, Donald A; Anovitz, Lawrence M; Beard, James S
2014-03-18
In a preferred embodiment, the invention relates to a process of sequestering carbon dioxide. The process comprises the steps of: (a) reacting a metal silicate with a caustic alkali-metal hydroxide to produce a hydroxide of the metal formerly contained in the silicate; (b) reacting carbon dioxide with at least one of a caustic alkali-metal hydroxide and an alkali-metal silicate to produce at least one of an alkali-metal carbonate and an alkali-metal bicarbonate; and (c) reacting the metal hydroxide product of step (a) with at least one of the alkali-metal carbonate and the alkali-metal bicarbonate produced in step (b) to produce a carbonate of the metal formerly contained in the metal silicate of step (a).
Carbonation of metal silicates for long-term CO.sub.2 sequestration
Blencoe, James G [Harriman, TN; Palmer, Donald A [Oliver Springs, TN; Anovitz, Lawrence M [Knoxville, TN; Beard, James S [Martinsville, VA
2012-02-14
In a preferred embodiment, the invention relates to a process of sequestering carbon dioxide. The process comprises the steps of: (a) reacting a metal silicate with a caustic alkali-metal hydroxide to produce a hydroxide of the metal formerly contained in the silicate; (b) reacting carbon dioxide with at least one of a caustic alkali-metal hydroxide and an alkali-metal silicate to produce at least one of an alkali-metal carbonate and an alkali-metal bicarbonate; and (c) reacting the metal hydroxide product of step (a) with at least one of the alkali-metal carbonate and the alkali-metal bicarbonate produced in step (b) to produce a carbonate of the metal formerly contained in the metal silicate of step (a).
NASA Astrophysics Data System (ADS)
Hui-Chun Chen, Nancy; Zhao, Guochun; Cawood, Peter A.
2017-04-01
The North China Craton is the oldest continental fragment in China. It contains magmatic rocks as old as 3.8 Ga, but is dominated by crustal components that formed in the Neoarchean at ca. 2.7 and 2.5 Ga, and also includes Paleoproterozoic rocks dated at 1.9-1.8 Ga. The craton has been incorporated into Precambrian supercontinents, although it's exact position within, as well as the overall configuration of, these supercontinents is poorly understood. New geochemical and geochronological data on granitoids from the northern margin of the craton at Siziwangqi in central Inner Mongolia further constrain craton evolution with respect to Neoarchean and Paleoproterozoic supercontinent cycles. The granitoids comprise a tonalite-trondhjemite-granodiorite (TTG) association with crystallization ages of 2.52-2.49 Ga and inherited zircon crystals as old 2.7 Ga, and alkali feldspar granites with ages of 2.47 and 1.87 Ga. Geochemically, the rocks are metaluminous to peraluminous and belong to the calc-alkaline (TTG) and subalkaline to alkaline (alkali feldspar granite) series. The TTG granitoids are characterized by light LREE enrichment, a weak positive Eu anomaly, and flat heavy HREE profiles. The alkali granite is also enriched in the LREE but has a strong positive chondrite-normalized Eu anomaly and displays weak HREE enrichment. Our compositional and geochronological data, integrated with regional data, indicate that in the Neoarchean the North China Craton constituted part of an accretionary convergent plate margin that lay on the edge of a an older continental mass (possibly within the Kenor supercraton). The Paleoproterozoic alkali feldspar granite was associated with collisional assembly of the craton into the Nuna (Columbia) supercontinent.
Serrano, Raquel; Martín, Humberto; Casamayor, Antonio; Ariño, Joaquín
2006-12-29
Alkalinization of the external environment represents a stress situation for Saccharomyces cerevisiae. Adaptation to this circumstance involves the activation of diverse response mechanisms, the components of which are still largely unknown. We show here that mutation of members of the cell integrity Pkc1/Slt2 MAPK module, as well as upstream and downstream elements of the system, confers sensitivity to alkali. Alkalinization resulted in fast and transient activation of the Slt2 MAPK, which depended on the integrity of the kinase module and was largely abolished by sorbitol. Lack of Wsc1, removal of specific extracellular and intracellular domains, or substitution of Tyr(303) in this putative membrane stress sensor rendered cells sensitive to alkali and considerably decreased alkali-induced Slt2 activation. In contrast, constitutive activation of Slt2 by the bck1-20 allele increased pH tolerance in the wsc1 mutant. DNA microarray analysis revealed that several genes encoding cell wall proteins, such as GSC2/FKS2, DFG5, SKT5, and CRH1, were induced, at least in part, by high pH in an Slt2-dependent manner. We observed that dfg5, skt5, and particularly dfg5 skt5 cells were alkali-sensitive. Therefore, our results show that an alkaline environment imposes a stress condition on the yeast cell wall. We propose that the Slt2-mediated MAPK pathway plays an important role in the adaptive response to this insult and that Wsc1 participates as an essential cell-surface pH sensor. Moreover, these results provide a new example of the complexity of the response of budding yeast to the alkalinization of the environment.
DOT National Transportation Integrated Search
2015-04-01
This study investigated the test methods used to determine the : alkali content of fly ash. It also evaluated if high-alkali fly ash : exacerbates alkali-silica reaction in laboratory tests and field : concrete.
Arciniega, Marcelino; Beck, Philipp; Lange, Oliver F.; Groll, Michael; Huber, Robert
2014-01-01
Two clusters of configurations of the main proteolytic subunit β5 were identified by principal component analysis of crystal structures of the yeast proteasome core particle (yCP). The apo-cluster encompasses unliganded species and complexes with nonpeptidic ligands, and the pep-cluster comprises complexes with peptidic ligands. The murine constitutive CP structures conform to the yeast system, with the apo-form settled in the apo-cluster and the PR-957 (a peptidic ligand) complex in the pep-cluster. In striking contrast, the murine immune CP classifies into the pep-cluster in both the apo and the PR-957–liganded species. The two clusters differ essentially by multiple small structural changes and a domain motion enabling enclosure of the peptidic ligand and formation of specific hydrogen bonds in the pep-cluster. The immune CP species is in optimal peptide binding configuration also in its apo form. This favors productive ligand binding and may help to explain the generally increased functional activity of the immunoproteasome. Molecular dynamics simulations of the representative murine species are consistent with the experimentally observed configurations. A comparison of all 28 subunits of the unliganded species with the peptidic liganded forms demonstrates a greatly enhanced plasticity of β5 and suggests specific signaling pathways to other subunits. PMID:24979800
NASA Astrophysics Data System (ADS)
Guo, Wenkang; Yin, Haibo; Wang, Shuyin; He, Zhifeng
2017-04-01
Through studying on the setting times, cement mortar compressive strength and cement mortar compressive strength ratio, the influence of alkali-free liquid accelerators polycarboxylate-type super-plasticizers on the performance of alkali-free liquid accelerators in cement-based material was investigated. The results showed that the compatibility of super-plasticizers and alkali-free liquid accelerators was excellent. However, the dosage of super-plasticizers had a certain impact on the performance of alkali-free liquid accelerators as follows: 1) the setting times of alkali-free liquid accelerators was in the inverse proportional relationship to the dosage of super-plasticizers; 2)the influence of super-plasticizers dosage on the cement mortar compressive strength of alkali-free liquid accelerators was related to the types of accelerators, where exist an optimum super-plasticizers dosage for cement mortar compressive strength at 28d; 3)the later cement mortar compressive strength with alkali-free liquid accelerators were decreasing with the increment of the super-plasticizers dosage. In the practical application of alkali-free liquid accelerators and super-plasticizer, the dosage of super-plasticizer must be determined by dosage optimization test results.
Demixing in symmetric supersolid mixtures
NASA Astrophysics Data System (ADS)
Jain, Piyush; Moroni, Saverio; Boninsegni, Massimo; Pollet, Lode
2013-09-01
The droplet crystal phase of a symmetric binary mixture of soft-core bosons is studied by computer simulation. At high temperature each droplet comprises on average equal numbers of particles of either component, but the two components demix below the supersolid transition temperature, i.e., droplets mostly consist of particles of one component. Clustering of droplets of the same component is also observed. Demixing is driven by quantum tunneling of particles across droplets over the system and does not take place in an insulating crystal. This effect provides an unambiguous experimental signature of supersolidity.
Sodium Is Not Essential for High Bioactivity of Glasses
Chen, Xiaojing; Chen, Xiaohui; Brauer, Delia S.; Wilson, Rory M.; Law, Robert V.; Hill, Robert G.; Karpukhina, Natalia
2017-01-01
This study aims to demonstrate that excellent bioactivity of glass can be achieved without the presence of an alkali metal component in glass composition. In vitro bioactivity of two sodium-free glasses based on the quaternary system SiO2-P2O5-CaO-CaF2 with 0 and 4.5 mol% CaF2 content was investigated and compared with the sodium containing glasses with equivalent amount of CaF2. The formation of apatite after immersion in Tris buffer was followed by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), 31P and 19F solid state MAS-NMR. The dissolution study was completed by ion release measurements in Tris buffer. The results show that sodium free bioactive glasses formed apatite at 3 hours of immersion in Tris buffer, which is as fast as the corresponding sodium containing composition. This signifies that sodium is not an essential component in bioactive glasses and it is possible to make equally degradable bioactive glasses with or without sodium. The results presented here also emphasize the central role of the glass compositions design which is based on understanding of structural role of components and/or predicting the network connectivity of glasses. PMID:29271977
Sodium Is Not Essential for High Bioactivity of Glasses.
Chen, Xiaojing; Chen, Xiaohui; Brauer, Delia S; Wilson, Rory M; Law, Robert V; Hill, Robert G; Karpukhina, Natalia
2017-12-01
This study aims to demonstrate that excellent bioactivity of glass can be achieved without the presence of an alkali metal component in glass composition. In vitro bioactivity of two sodium-free glasses based on the quaternary system SiO 2 -P 2 O 5 -CaO-CaF 2 with 0 and 4.5 mol% CaF 2 content was investigated and compared with the sodium containing glasses with equivalent amount of CaF 2 . The formation of apatite after immersion in Tris buffer was followed by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), 31 P and 19 F solid state MAS-NMR. The dissolution study was completed by ion release measurements in Tris buffer. The results show that sodium free bioactive glasses formed apatite at 3 hours of immersion in Tris buffer, which is as fast as the corresponding sodium containing composition. This signifies that sodium is not an essential component in bioactive glasses and it is possible to make equally degradable bioactive glasses with or without sodium. The results presented here also emphasize the central role of the glass compositions design which is based on understanding of structural role of components and/or predicting the network connectivity of glasses.
Chen, Yanxian; Chang, Billy Heung Wing; Ding, Xiaohu; He, Mingguang
2016-11-22
In the present study we attempt to use hypothesis-independent analysis in investigating the patterns in refraction growth in Chinese children, and to explore the possible risk factors affecting the different components of progression, as defined by Principal Component Analysis (PCA). A total of 637 first-born twins in Guangzhou Twin Eye Study with 6-year annual visits (baseline age 7-15 years) were available in the analysis. Cluster 1 to 3 were classified after a partitioning clustering, representing stable, slow and fast progressing groups of refraction respectively. Baseline age and refraction, paternal refraction, maternal refraction and proportion of two myopic parents showed significant differences across the three groups. Three major components of progression were extracted using PCA: "Average refraction", "Acceleration" and the combination of "Myopia stabilization" and "Late onset of refraction progress". In regression models, younger children with more severe myopia were associated with larger "Acceleration". The risk factors of "Acceleration" included change of height and weight, near work, and parental myopia, while female gender, change of height and weight were associated with "Stabilization", and increased outdoor time was related to "Late onset of refraction progress". We therefore concluded that genetic and environmental risk factors have different impacts on patterns of refraction progression.
Chen, Yanxian; Chang, Billy Heung Wing; Ding, Xiaohu; He, Mingguang
2016-01-01
In the present study we attempt to use hypothesis-independent analysis in investigating the patterns in refraction growth in Chinese children, and to explore the possible risk factors affecting the different components of progression, as defined by Principal Component Analysis (PCA). A total of 637 first-born twins in Guangzhou Twin Eye Study with 6-year annual visits (baseline age 7–15 years) were available in the analysis. Cluster 1 to 3 were classified after a partitioning clustering, representing stable, slow and fast progressing groups of refraction respectively. Baseline age and refraction, paternal refraction, maternal refraction and proportion of two myopic parents showed significant differences across the three groups. Three major components of progression were extracted using PCA: “Average refraction”, “Acceleration” and the combination of “Myopia stabilization” and “Late onset of refraction progress”. In regression models, younger children with more severe myopia were associated with larger “Acceleration”. The risk factors of “Acceleration” included change of height and weight, near work, and parental myopia, while female gender, change of height and weight were associated with “Stabilization”, and increased outdoor time was related to “Late onset of refraction progress”. We therefore concluded that genetic and environmental risk factors have different impacts on patterns of refraction progression. PMID:27874105
Performance evaluation of PCA-based spike sorting algorithms.
Adamos, Dimitrios A; Kosmidis, Efstratios K; Theophilidis, George
2008-09-01
Deciphering the electrical activity of individual neurons from multi-unit noisy recordings is critical for understanding complex neural systems. A widely used spike sorting algorithm is being evaluated for single-electrode nerve trunk recordings. The algorithm is based on principal component analysis (PCA) for spike feature extraction. In the neuroscience literature it is generally assumed that the use of the first two or most commonly three principal components is sufficient. We estimate the optimum PCA-based feature space by evaluating the algorithm's performance on simulated series of action potentials. A number of modifications are made to the open source nev2lkit software to enable systematic investigation of the parameter space. We introduce a new metric to define clustering error considering over-clustering more favorable than under-clustering as proposed by experimentalists for our data. Both the program patch and the metric are available online. Correlated and white Gaussian noise processes are superimposed to account for biological and artificial jitter in the recordings. We report that the employment of more than three principal components is in general beneficial for all noise cases considered. Finally, we apply our results to experimental data and verify that the sorting process with four principal components is in agreement with a panel of electrophysiology experts.
Alexander, Nathan; Woetzel, Nils; Meiler, Jens
2011-02-01
Clustering algorithms are used as data analysis tools in a wide variety of applications in Biology. Clustering has become especially important in protein structure prediction and virtual high throughput screening methods. In protein structure prediction, clustering is used to structure the conformational space of thousands of protein models. In virtual high throughput screening, databases with millions of drug-like molecules are organized by structural similarity, e.g. common scaffolds. The tree-like dendrogram structure obtained from hierarchical clustering can provide a qualitative overview of the results, which is important for focusing detailed analysis. However, in practice it is difficult to relate specific components of the dendrogram directly back to the objects of which it is comprised and to display all desired information within the two dimensions of the dendrogram. The current work presents a hierarchical agglomerative clustering method termed bcl::Cluster. bcl::Cluster utilizes the Pymol Molecular Graphics System to graphically depict dendrograms in three dimensions. This allows simultaneous display of relevant biological molecules as well as additional information about the clusters and the members comprising them.
High Temperature Corrosion Problem of Boiler Components in presence of Sulfur and Alkali based Fuels
NASA Astrophysics Data System (ADS)
Ghosh, Debashis; Mitra, Swapan Kumar
2011-04-01
Material degradation and ageing is of particular concern for fossil fuel fired power plant components. New techniques/approaches have been explored in recent years for Residual Life assessment of aged components and material degradation due to different damage mechanism like creep, fatigue, corrosion and erosion etc. Apart from the creep, the high temperature corrosion problem in a fossil fuel fired boiler is a matter of great concern if the fuel contains sulfur, chlorine sodium, potassium and vanadium etc. This paper discusses the material degradation due to high temperature corrosion in different critical components of boiler like water wall, superheater and reheater tubes and also remedial measures to avoid the premature failure. This paper also high lights the Residual Life Assessment (RLA) methodology of the components based on high temperature fireside corrosion. of different critical components of boiler.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Steenbergen, K. G., E-mail: kgsteen@gmail.com; Gaston, N.
2014-02-14
Inspired by methods of remote sensing image analysis, we analyze structural variation in cluster molecular dynamics (MD) simulations through a unique application of the principal component analysis (PCA) and Pearson Correlation Coefficient (PCC). The PCA analysis characterizes the geometric shape of the cluster structure at each time step, yielding a detailed and quantitative measure of structural stability and variation at finite temperature. Our PCC analysis captures bond structure variation in MD, which can be used to both supplement the PCA analysis as well as compare bond patterns between different cluster sizes. Relying only on atomic position data, without requirement formore » a priori structural input, PCA and PCC can be used to analyze both classical and ab initio MD simulations for any cluster composition or electronic configuration. Taken together, these statistical tools represent powerful new techniques for quantitative structural characterization and isomer identification in cluster MD.« less
Steenbergen, K G; Gaston, N
2014-02-14
Inspired by methods of remote sensing image analysis, we analyze structural variation in cluster molecular dynamics (MD) simulations through a unique application of the principal component analysis (PCA) and Pearson Correlation Coefficient (PCC). The PCA analysis characterizes the geometric shape of the cluster structure at each time step, yielding a detailed and quantitative measure of structural stability and variation at finite temperature. Our PCC analysis captures bond structure variation in MD, which can be used to both supplement the PCA analysis as well as compare bond patterns between different cluster sizes. Relying only on atomic position data, without requirement for a priori structural input, PCA and PCC can be used to analyze both classical and ab initio MD simulations for any cluster composition or electronic configuration. Taken together, these statistical tools represent powerful new techniques for quantitative structural characterization and isomer identification in cluster MD.
NASA Astrophysics Data System (ADS)
Allard, P.; Burton, M. R.; Oskarsson, N.; Michel, A.; Polacci, M.
2010-12-01
The 2010 Eyjafjallajökull eruption developed in two distinct phases, with initial lateral effusion of alkali basalt since March 20, followed by highly explosive extrusion of a quite homogenous and crystal-poor trachyandesitic magma [1] through the central volcano ice cap between April 14 and May 24. As usual, magmatic volatiles played a key role in the eruption dynamics. Here we report on the chemical composition and the mass output of magmatic gases powering intense explosive activity during the second eruptive phase in early May. On May 8 we could measure the composition of magmatic gases directly issuing from the eruptive vents, by using OP-FTIR spectroscopy from the crater rim (~900 m distance) and molten lava blocks as IR radiation source. FTIR spectra reveal a variable mixture between two gas components equally rich in H2O (91.3 mol%) and CO2 (8%) but differing in their SO2/HCl ratio (up to 3.5 for the main one and 0.5 for the Cl-richer second one). Analysis of S-Cl-F in ash leachates and in ash and lava bomb samples (pyrohydrolysis) show that this second component was generated by greater chlorine loss during extensive magma fragmentation into fine ash. S/Cl and Cl/F ratios from both these analyses and solar occultation FTIR plume sensing indicate a modest fluorine content in emitted gas and its preferential adsorption onto solid particles during plume transport. DOAS traverses under the volcanic plume (4-6 km height), though hampered by dense ash load, gave most reliable SO2 fluxes of 4500-6600 tons d-1 on May 9, consistent with OMI satellite data [2]. These imply the daily co-emission of 7.2x105 tons of H2O, 1.5x105 tons of CO2, 2000 tons of HCl and ≤200 tons of HF. Eyjafjallajökull thus produced more hydrous and relatively CO2-poorer gas, in much greater quantities, during that stage than during its first basaltic phase [3]. Linear variations of dissolved S with TiO2/FeO ratio in nearby Katla alkali magmas [4] suggest possible pre-eruptive S contents of 0.17-0.19 and 0.14-0.16 wt% in Eyjafjallajökull alkali basalt and trachyandesite, respectively. With 0.03 wt% of residual S measured in erupted lavas, we compute the degassing of ~106 m3 d-1 of trachyandesite in early May, compared to only ~3.5x105 m3 d-1 of basalt in early April. The alkali basalt was petrologically equilibrated at ≤2 kbar and 1150°C [1] but, given the CO2/S ratio of basaltic gases from the first phase [3], might have initially contained ≥1 wt% of carbon dioxide at greater depth. Early CO2 exsolution from this uprising basalt and its interaction with more evolved magma in a shallower reservoir beneath Eyjafjallajökull could have generated enough overpressure for triggering the eruption. [1] N. Oskarsson, 2010, http://www.earthice.hi.is/; [2] P. Labazuy et al., OPGC-LMV, Clermont-Ferrand, France, April 2010, http://wwwobs.univ-bpclermont.fr/; [3] Burton et al., Gas composition and flux report, March 2010, http://www.earthice.hi.is/; [4] Thordarson et al., In: Volcanic Degassing, Geol. Soc. London, special public. 213, 2006.
Dymond, Caren C; Field, Robert D; Roswintiarti, Orbita; Guswanto
2005-04-01
Vegetation fires have become an increasing problem in tropical environments as a consequence of socioeconomic pressures and subsequent land-use change. In response, fire management systems are being developed. This study set out to determine the relationships between two aspects of the fire problems in western Indonesia and Malaysia, and two components of the Canadian Forest Fire Weather Index System. The study resulted in a new method for calibrating components of fire danger rating systems based on satellite fire detection (hotspot) data. Once the climate was accounted for, a problematic number of fires were related to high levels of the Fine Fuel Moisture Code. The relationship between climate, Fine Fuel Moisture Code, and hotspot occurrence was used to calibrate Fire Occurrence Potential classes where low accounted for 3% of the fires from 1994 to 2000, moderate accounted for 25%, high 26%, and extreme 38%. Further problems arise when there are large clusters of fires burning that may consume valuable land or produce local smoke pollution. Once the climate was taken into account, the hotspot load (number and size of clusters of hotspots) was related to the Fire Weather Index. The relationship between climate, Fire Weather Index, and hotspot load was used to calibrate Fire Load Potential classes. Low Fire Load Potential conditions (75% of an average year) corresponded with 24% of the hotspot clusters, which had an average size of 30% of the largest cluster. In contrast, extreme Fire Load Potential conditions (1% of an average year) corresponded with 30% of the hotspot clusters, which had an average size of 58% of the maximum. Both Fire Occurrence Potential and Fire Load Potential calibrations were successfully validated with data from 2001. This study showed that when ground measurements are not available, fire statistics derived from satellite fire detection archives can be reliably used for calibration. More importantly, as a result of this work, Malaysia and Indonesia have two new sources of information to initiate fire prevention and suppression activities.
Symptom clustering and quality of life in patients with ovarian cancer undergoing chemotherapy.
Nho, Ju-Hee; Reul Kim, Sung; Nam, Joo-Hyun
2017-10-01
The symptom clusters in patients with ovarian cancer undergoing chemotherapy have not been well evaluated. We investigated the symptom clusters and effects of symptom clusters on the quality of life of patients with ovarian cancer. We recruited 210 ovarian cancer patients being treated with chemotherapy and used a descriptive cross-sectional study design to collect information on their symptoms. To determine inter-relationships among symptoms, a principal component analysis with varimax rotation was performed based on the patient's symptoms (fatigue, pain, sleep disturbance, chemotherapy-induced peripheral neuropathy, anxiety, depression, and sexual dysfunction). All patients had experienced at least two domains of concurrent symptoms, and there were two types of symptom clusters. The first symptom cluster consisted of anxiety, depression, fatigue, and sleep disturbance symptoms, while the second symptom cluster consisted of pain and chemotherapy-induced peripheral neuropathy symptoms. Our subgroup cluster analysis showed that ovarian cancer patients with higher-scoring symptoms had significantly poorer quality of life in both symptom cluster 1 and 2 subgroups, with subgroup-specific patterns. The symptom clusters were different depending on age, age at disease onset, disease duration, recurrence, and performance status of patients with ovarian cancer. In addition, ovarian cancer patients experienced different symptom clusters according to cancer stage. The current study demonstrated that there is a specific pattern of symptom clusters, and symptom clusters negatively influence the quality of life in patients with ovarian cancer. Identifying symptom clusters of ovarian cancer patients may have clinical implications in improving symptom management. Copyright © 2017 Elsevier Ltd. All rights reserved.
Apparatus enables accurate determination of alkali oxides in alkali metals
NASA Technical Reports Server (NTRS)
Dupraw, W. A.; Gahn, R. F.; Graab, J. W.; Maple, W. E.; Rosenblum, L.
1966-01-01
Evacuated apparatus determines the alkali oxide content of an alkali metal by separating the metal from the oxide by amalgamation with mercury. The apparatus prevents oxygen and moisture from inadvertently entering the system during the sampling and analytical procedure.
Regenerable sorbents for CO.sub.2 capture from moderate and high temperature gas streams
Siriwardane, Ranjani V [Morgantown, WV
2008-01-01
A process for making a granular sorbent to capture carbon dioxide from gas streams comprising homogeneously mixing an alkali metal oxide, alkali metal hydroxide, alkaline earth metal oxide, alkaline earth metal hydroxide, alkali titanate, alkali zirconate, alkali silicate and combinations thereof with a binder selected from the group consisting of sodium ortho silicate, calcium sulfate dihydrate (CaSO.sub.4.2H.sub.2O), alkali silicates, calcium aluminate, bentonite, inorganic clays and organic clays and combinations thereof and water; drying the mixture and placing the sorbent in a container permeable to a gas stream.
NASA Astrophysics Data System (ADS)
Gilbank, David G.; Barrientos, L. Felipe; Ellingson, Erica; Blindert, Kris; Yee, H. K. C.; Anguita, T.; Gladders, M. D.; Hall, P. B.; Hertling, G.; Infante, L.; Yan, R.; Carrasco, M.; Garcia-Vergara, Cristina; Dawson, K. S.; Lidman, C.; Morokuma, T.
2018-05-01
We present follow-up spectroscopic observations of galaxy clusters from the first Red-sequence Cluster Survey (RCS-1). This work focuses on two samples, a lower redshift sample of ˜30 clusters ranging in redshift from z ˜ 0.2-0.6 observed with multiobject spectroscopy (MOS) on 4-6.5-m class telescopes and a z ˜ 1 sample of ˜10 clusters 8-m class telescope observations. We examine the detection efficiency and redshift accuracy of the now widely used red-sequence technique for selecting clusters via overdensities of red-sequence galaxies. Using both these data and extended samples including previously published RCS-1 spectroscopy and spectroscopic redshifts from SDSS, we find that the red-sequence redshift using simple two-filter cluster photometric redshifts is accurate to σz ≈ 0.035(1 + z) in RCS-1. This accuracy can potentially be improved with better survey photometric calibration. For the lower redshift sample, ˜5 per cent of clusters show some (minor) contamination from secondary systems with the same red-sequence intruding into the measurement aperture of the original cluster. At z ˜ 1, the rate rises to ˜20 per cent. Approximately ten per cent of projections are expected to be serious, where the two components contribute significant numbers of their red-sequence galaxies to another cluster. Finally, we present a preliminary study of the mass-richness calibration using velocity dispersions to probe the dynamical masses of the clusters. We find a relation broadly consistent with that seen in the local universe from the WINGS sample at z ˜ 0.05.
Peterson, Leif E
2002-01-01
CLUSFAVOR (CLUSter and Factor Analysis with Varimax Orthogonal Rotation) 5.0 is a Windows-based computer program for hierarchical cluster and principal-component analysis of microarray-based transcriptional profiles. CLUSFAVOR 5.0 standardizes input data; sorts data according to gene-specific coefficient of variation, standard deviation, average and total expression, and Shannon entropy; performs hierarchical cluster analysis using nearest-neighbor, unweighted pair-group method using arithmetic averages (UPGMA), or furthest-neighbor joining methods, and Euclidean, correlation, or jack-knife distances; and performs principal-component analysis. PMID:12184816
Hnatyshyn, S.; Reily, M.; Shipkova, P.; McClure, T.; Sanders, M.; Peake, D.
2011-01-01
Robust biomarkers of target engagement and efficacy are required in different stages of drug discovery. Liquid chromatography coupled to high resolution mass spectrometry provides sensitivity, accuracy and wide dynamic range required for identification of endogenous metabolites in biological matrices. LCMS is widely-used tool for biomarker identification and validation. Typical high resolution LCMS profiles from biological samples may contain greater than a million mass spectral peaks corresponding to several thousand endogenous metabolites. Reduction of the total number of peaks, component identification and statistical comparison across sample groups remains to be a difficult and time consuming challenge. Blood samples from four groups of rats (male vs. female, fully satiated and food deprived) were analyzed using high resolution accurate mass (HRAM) LCMS. All samples were separated using a 15 minute reversed-phase C18 LC gradient and analyzed in both positive and negative ion modes. Data was acquired using 15K resolution and 5ppm mass measurement accuracy. The entire data set was analyzed using software developed in collaboration between Bristol Meyers Squibb and Thermo Fisher Scientific to determine the metabolic effects of food deprivation on rats. Metabolomic LC-MS data files are extraordinarily complex and appropriate reduction of the number of spectral peaks via identification of related peaks and background removal is essential. A single component such as hippuric acid generates more than 20 related peaks including isotopic clusters, adducts and dimers. Plasma and urine may contain 500-1500 unique quantifiable metabolites. Noise filtering approaches including blank subtraction were used to reduce the number of irrelevant peaks. By grouping related signals such as isotopic peaks and alkali adducts, data processing was greatly simplified by reducing the total number of components by 10-fold. The software processes 48 samples in under 60minutes. Principle Component Analysis showed substantial differences in endogenous metabolites levels between the animal groups. Annotation of components was accomplished via searching the ChemSpider database. Tentative assignments made using accurate mass need further verification by comparison with the retention time of authentic standards.
Fluids of the lower crust and upper mantle: deep is different
NASA Astrophysics Data System (ADS)
Manning, C. E.
2017-12-01
Deep fluids are important for the evolution and properties of the lower crust and upper mantle in tectonically active settings. Uncertainty about their chemistry has led past workers to use upper crustal fluids as analogues. However, recent results show that fluids at >15 km differ fundamentally from shallow fluids and help explain high-pressure metasomatism and resistivity patterns. Deep fluids are comprised of four components: H2O, non-polar gases (chiefly CO2), salts (mostly alkali chlorides), and rock-derived solutes (dominated by aluminosilicates and related components). The first three generally define the solvent properties of the fluid, and models must account for observations that H2O activity may be quite low. The contrasting behavior of H2O-gas and H2O-salt mixtures yields immiscibility in the ternary system, which can lead to separation of two phases with fundamentally different chemical and transport properties. Thermodynamic modeling of equilibrium between rocks and H2O using simple ionic species known from shallow-crustal systems yields solutions possessing total dissolved solids and ionic strength that are too low to be consistent with experiments and resistivity surveys. Addition of CO2 further lowers bulk solubility and conductivity. Therefore, additional species must be present in H2O, and H2O-salt solutions likely explain much of the evidence for fluid action in high-P settings. At low salinity, H2O-rich fluids are powerful solvents for aluminosilicate rock components that are dissolved as previously unrecognized polymerized clusters. Experiments show that, near H2O-saturated melting, Al-Si polymers comprise >80% of solutes. The stability of these species facilitates critical critical mixing in rock-H2O systems. Addition of salt (e.g., NaCl) changes solubility patterns, but aluminosilicate contents remain high. Thermodynamic models indicate that the ionic strength of fluids with Xsalt = 0.05 to 0.4 and equilibrated with model crustal rocks have predicted bulk conductivities of 10-1.5 to 100 S/m at porosity of 0.001. Such fluids are thus consistent with conductivity anomalies commonly observed in the lower crust (e.g., the "G" anomaly), and are capable of the mass transfer commonly seen in metamorphic rocks exhumed from the lower crust and subduction zones.
Foulstone, M; Reading, C
1982-11-01
Augmentin is a new antibacterial formulation comprised of amoxicillin and the beta-lactamase inhibitor clavulanic acid. In the present paper, the use of high-performance liquid chromatography (HPLC) to provide a rapid assay of the components of Augmentin in body fluids is described. Clavulanic acid was assayed by reacting the sample with imidazole, which readily produces a derivative absorbing at 311 nm. This derivative chromatographs on reverse-phase HPLC columns clear of interfering components in both human serum and urine. Concentrations of clavulanic acid as low as 0.1 microgram/ml were readily detectable in human serum with this procedure. There was no interference from amoxicillin, amoxicillin penicilloic acid, or the acid and alkali degradation products of clavulanic acid when this assay system was used. Amoxicillin in body fluids was assayed directly by HPLC without derivatization. The same chromatographic conditions were employed for the assay of amoxicillin and the clavulanic acid derivative, simplifying the methodology. Amoxicillin, however, was determined of the antibiotic per ml. An alkali blanking procedure for amoxicillin and clavulanic acid is also described which allows the detection of any underlying peaks which may cochromatograph. The use of ultrafiltration to remove protein from serum samples before HPLC was successfully applied to the assay of clavulanic acid and amoxicillin. Ultrafiltration is not an essential procedure for these assays, but it prolongs column life and reduces interference in the amoxicillin assay. Results obtained by HPLC were compared with those obtained by using microbiological assays.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kaluzny, J.; Rozyczka, M.; Schwarzenberg-Czerny, A.
2015-11-15
We use photometric and spectroscopic observations of the detached eclipsing binaries V40 and V41 in the globular cluster NGC 6362 to derive masses, radii, and luminosities of the component stars. The orbital periods of these systems are 5.30 and 17.89 days, respectively. The measured masses of the primary and secondary components (M{sub p}, M{sub s}) are (0.8337 ± 0.0063, 0.7947 ± 0.0048) M{sub ⊙} for V40 and (0.8215 ± 0.0058, 0.7280 ± 0.0047) M{sub ⊙} for V41. The measured radii (R{sub p}, R{sub s}) are (1.3253 ± 0.0075, 0.997 ± 0.013) R{sub ⊙} for V40 and (1.0739 ± 0.0048, 0.7307more » ± 0.0046) R{sub ⊙} for V41. Based on the derived luminosities, we find that the distance modulus of the cluster is 14.74 ± 0.04 mag—in good agreement with 14.72 mag obtained from color–magnitude diagram (CMD) fitting. We compare the absolute parameters of component stars with theoretical isochrones in mass–radius and mass–luminosity diagrams. For assumed abundances [Fe/H] = −1.07, [α/Fe] = 0.4, and Y = 0.25 we find the most probable age of V40 to be 11.7 ± 0.2 Gyr, compatible with the age of the cluster derived from CMD fitting (12.5 ± 0.5 Gyr). V41 seems to be markedly younger than V40. If independently confirmed, this result will suggest that V41 belongs to the younger of the two stellar populations recently discovered in NGC 6362. The orbits of both systems are eccentric. Given the orbital period and age of V40, its orbit should have been tidally circularized some ∼7 Gyr ago. The observed eccentricity is most likely the result of a relatively recent close stellar encounter.« less
Alkali content of fly ash : measuring and testing strategies for compliance.
DOT National Transportation Integrated Search
2015-04-01
Sodium and potassium are the common alkalis present in fly ash. Excessive amounts of fly ash alkalis can cause efflorescence : problems in concrete products and raise concern about the effectiveness of the fly ash to mitigate alkali-silica reaction (...
Carbonation of metal silicates for long-term CO.sub.2 sequestration
DOE Office of Scientific and Technical Information (OSTI.GOV)
Blencoe, James G.; Palmer, Donald A.; Anovitz, Lawrence M.
In a preferred embodiment, the invention relates to a process of sequestering carbon dioxide. The process comprises the steps of: (a) reacting a metal silicate with a caustic alkali-metal hydroxide to produce a hydroxide of the metal formerly contained in the silicate; (b) reacting carbon dioxide with at least one of a caustic alkali-metal hydroxide and an alkali-metal silicate to produce at least one of an alkali-metal carbonate and an alkali-metal bicarbonate; and (c) reacting the metal hydroxide product of step (a) with at least one of the alkali-metal carbonate and the alkali-metal bicarbonate produced in step (b) to producemore » a carbonate of the metal formerly contained in the metal silicate of step (a).« less
Common factor analysis versus principal component analysis: choice for symptom cluster research.
Kim, Hee-Ju
2008-03-01
The purpose of this paper is to examine differences between two factor analytical methods and their relevance for symptom cluster research: common factor analysis (CFA) versus principal component analysis (PCA). Literature was critically reviewed to elucidate the differences between CFA and PCA. A secondary analysis (N = 84) was utilized to show the actual result differences from the two methods. CFA analyzes only the reliable common variance of data, while PCA analyzes all the variance of data. An underlying hypothetical process or construct is involved in CFA but not in PCA. PCA tends to increase factor loadings especially in a study with a small number of variables and/or low estimated communality. Thus, PCA is not appropriate for examining the structure of data. If the study purpose is to explain correlations among variables and to examine the structure of the data (this is usual for most cases in symptom cluster research), CFA provides a more accurate result. If the purpose of a study is to summarize data with a smaller number of variables, PCA is the choice. PCA can also be used as an initial step in CFA because it provides information regarding the maximum number and nature of factors. In using factor analysis for symptom cluster research, several issues need to be considered, including subjectivity of solution, sample size, symptom selection, and level of measure.
NASA Astrophysics Data System (ADS)
Vayghan, Asghar Gholizadeh
Alkali-silica reaction (ASR) is a major concrete durability concern that is responsible for the deterioration of concrete infrastructure in the world. The resultant of the reaction between the cement alkali hydroxides and the metastable silicates in the aggregates is a hygroscopic and expansive alkali-silicate gel (referred to as ASR gel in this document). The swelling behavior of ASR gels determines the extent of damage to concrete structures and, as such, mitigation of ASR relies on understanding these gels and finding ways to prevent them either from formation, or from swelling after formation. This dissertation focuses on the synthesis and characterization of ASR gels with wide ranges of compositions similar to what has been reported for the filed ASR gels in the literature. The experimental work consisted of three phases as follow. Phase I: Investigation of rheology, chemistry and physics of ASR gels produced through sol-method. Inspired from the existing literature, two sol-gel methods have been developed for the synthesis of ASR gels. The rheological (primarily gelation time, yield stress, and equilibrium stress), chemical (pore solution pH, pore solution composition, osmotic pressure, solid phase composition, stoichiometry of gelation reactions) and physical (evaporable water, solid content, etc.) properties of synthetic ASR gels have been extensively investigated in this phase. Ca/Si, Na/Si and K/Si, and water content were considered as the main chemical composition variables. In order to investigate the suppressing effects of lithium on the swelling properties of ASR gels, the gels were added with lithium in a part of the experimental program. The results strongly suggested that Ca/Si has a positive effect on the yield stress of the gels and their rate of gelation. Na/Si was found to have a decreasing effect on the yield stress and gelation rate (especially at low Ca/Si levels). K/Si and Li/Si had second-order (i.e., polynomial) effects on the yield stress of the gels, causing a significant drop in this parameter followed by some increase as they approached their upper values. Na/Si and K/Si were both found contribute to the osmotic potential of the ASR gels, while increase in Ca/Si generally led to a drop in this parameter. The presence of all components (Ca, Na, and K) were found to contribute to the pH of the gels' pore solution, and Ca/Si and Na/Si showed a synergistic effect on this parameter. Lithium, on the other hand, was found to be able to drop the OH- concentration of the pore solution by a factor of five in the case of high-sodium gels, which could partially explain its ASR mitigating effect. Phase II: Investigation of the free and restrained swelling behavior, hydrophilic potential and viscoelastic properties of ASR gels produced through the "paste method". 20 gel compositions were selected (using the central composite design method) with Ca/Si, Na/Si and K/Si molar ratios varying in the ranges (0.05-0.5), (0.1-1.0) and (0.0-0.3), respectively. The gels were produced by batching appropriate amounts of certain precursors containing different chemical components. After curing, the gels were tested for the abovementioned parameters using some innovative test methods as explained in the relevant chapters. The results suggest that increasing the alkali content (Na/Si and K/Si) in ASR gels resulted in an increase in the gels' free swelling and water absorption, and a reduction in the equilibrium relative humidity (ERH). However, no significant effect was found for Ca/Si with respect to the ERH. Ca/Si was found to have a multi-episode effect on the swelling and water absorption properties of the gels. An increase in Ca/Si up to 0.18 led to a considerable reduction in the swelling strain, followed by a slight increasing effect as it approached 0.4. Further increase in Ca/Si resulted in complete elimination of swelling strain. While Na/Si and K/Si could constantly increase the free swelling strain, their excessive presence was found to have a softening effect on the gels' structure, leading to a drop in their swelling pressure. Finally, all gels were found to show viscoelastic behavior that could be best explained via Burger's model. The elastic and viscous components have been measured for each gel and related to their composition using regression. Phase III: An Extended Chemical Index Model to Predict the Fly Ash Dosage Necessary for Mitigating Alkali-Silica Reaction in Concrete . In order to have an applied and ready-to-implement contribution to the realm of alkali-silica reaction, a predictive statistical model was developed that determines the optimum fly ash dosage for ASR mitigation depending on the acceptable risk of ASR and structure's importance. (Abstract shortened by ProQuest.).
Food composition and acid-base balance: alimentary alkali depletion and acid load in herbivores.
Kiwull-Schöne, Heidrun; Kiwull, Peter; Manz, Friedrich; Kalhoff, Hermann
2008-02-01
Alkali-enriched diets are recommended for humans to diminish the net acid load of their usual diet. In contrast, herbivores have to deal with a high dietary alkali impact on acid-base balance. Here we explore the role of nutritional alkali in experimentally induced chronic metabolic acidosis. Data were collected from healthy male adult rabbits kept in metabolism cages to obtain 24-h urine and arterial blood samples. Randomized groups consumed rabbit diets ad libitum, providing sufficient energy but variable alkali load. One subgroup (n = 10) received high-alkali food and approximately 15 mEq/kg ammonium chloride (NH4Cl) with its drinking water for 5 d. Another group (n = 14) was fed low-alkali food for 5 d and given approximately 4 mEq/kg NH4Cl daily for the last 2 d. The wide range of alimentary acid-base load was significantly reflected by renal base excretion, but normal acid-base conditions were maintained in the arterial blood. In rabbits fed a high-alkali diet, the excreted alkaline urine (pH(u) > 8.0) typically contained a large amount of precipitated carbonate, whereas in rabbits fed a low-alkali diet, both pH(u) and precipitate decreased considerably. During high-alkali feeding, application of NH4Cl likewise decreased pH(u), but arterial pH was still maintained with no indication of metabolic acidosis. During low-alkali feeding, a comparably small amount of added NH4Cl further lowered pH(u) and was accompanied by a significant systemic metabolic acidosis. We conclude that exhausted renal base-saving function by dietary alkali depletion is a prerequisite for growing susceptibility to NH4Cl-induced chronic metabolic acidosis in the herbivore rabbit.
Deep HST Photometry of NGC 6388: Age and Horizontal Branch Luminosity
NASA Technical Reports Server (NTRS)
Stetson, Peter B.; Catelan, M.; Pritzl, Barton J.; Smith, Horace A.; Kinemuchi, Karen; Layden, Andrew C.; Sweigart, Allen V.; Rich, R. M.
2006-01-01
We present the first deep color-magnitude diagram (CMD) of the Galactic globular cluster NGC 6388, obtained with the Hubble Space Telescope, that is able to reach the main-sequence turnoff point of the cluster. From a detailed comparison between the cluster CMD and that of 47 Tucanae (NGC 104), we find that the bulk of the stars in these two clusters have nearly the same age and chemical composition. On the other hand, our results indicate that the blue horizontal branch and RR Lyrae components in NGC 6388 are intrinsically over-luminous, which must be due to one or more, still undetermined, non-canonical second parameter(s) affecting a relatively minor fraction of the stars in NGC 6388.
Chen, Shan; Li, Xiao-ning; Liang, Yi-zeng; Zhang, Zhi-min; Liu, Zhao-xia; Zhang, Qi-ming; Ding, Li-xia; Ye, Fei
2010-08-01
During Raman spectroscopy analysis, the organic molecules and contaminations will obscure or swamp Raman signals. The present study starts from Raman spectra of prednisone acetate tablets and glibenclamide tables, which are acquired from the BWTek i-Raman spectrometer. The background is corrected by R package baselineWavelet. Then principle component analysis and random forests are used to perform clustering analysis. Through analyzing the Raman spectra of two medicines, the accurate and validity of this background-correction algorithm is checked and the influences of fluorescence background on Raman spectra clustering analysis is discussed. Thus, it is concluded that it is important to correct fluorescence background for further analysis, and an effective background correction solution is provided for clustering or other analysis.
Triggering the formation of the supergiant H II region NGC 604 in M 33
NASA Astrophysics Data System (ADS)
Tachihara, Kengo; Gratier, Pierre; Sano, Hidetoshi; Tsuge, Kisetsu; Miura, Rie E.; Muraoka, Kazuyuki; Fukui, Yasuo
2018-05-01
Formation mechanism of a supergiant H II region NGC 604 is discussed in terms of collision of H I clouds in M 33. An analysis of the archival H I data obtained with the Very Large Array (VLA) reveals complex velocity distributions around NGC 604. The H I clouds are composed of two velocity components separated by ˜20 km s-1 for an extent of ˜700 pc, beyond the size of the the H II region. Although the H I clouds are not easily separated in velocity with some mixed component represented by merged line profiles, the atomic gas mass amounts to 6 × 106 M_{⊙} and 9 × 106 M_{⊙} for each component. These characteristics of H I gas and the distributions of dense molecular gas in the overlapping regions of the two velocity components suggest that the formation of giant molecular clouds and the following massive cluster formation have been induced by the collision of H I clouds with different velocities. Referring to the existence of a gas bridging feature connecting M 33 with M 31 reported by large-scale H I surveys, the disturbed atomic gas possibly represents the result of past tidal interaction between the two galaxies, which is analogous to the formation of the R 136 cluster in the LMC.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sidebottom, David L., E-mail: sidebottom@creighton.edu
2015-03-14
In a recent paper, Hermansen, Mauro, and Yue [J. Chem. Phys. 140, 154501 (2014)] applied the temperature-dependent constraint theory to model both the glass transition temperature, T{sub g}, and fragility, m, of a series of binary alkali phosphate glasses of the form (R{sub 2}O){sub x}(P{sub 2}O{sub 5}){sub 1−x}, where R represents an alkali species. Key to their success seems to be the retention of linear constraints between the alkali ion (R{sup +}) and the non-bridging oxygens near T{sub g}, which allows the model to mimic a supposed minimum for both T{sub g}(x) and m(x) located near x = 0.2. However,more » the authors have overlooked several recent studies that clearly show there is no minimum in m(x). We argue that the retention of the alkali ion constraints at these temperatures is unjustified and question whether the model calculations can be revised to meet the actual experimental data. We also discuss alternative interpretations for the fragility based on two-state thermodynamics that can accurately account for its compositional dependence.« less
Sun, Yuhua; Tan, Jing; Wu, Baohua; Wang, Jianxin; Qu, Shuxin; Weng, Jie; Feng, Bo
2016-10-01
Acid-alkali treatment is one of means widely used for preparing bioactive titanium surfaces. Peptides with specific affinity to titanium surface modified by acid-alkali two-steps treatment were obtained via phage display technology. Out of the eight new unique peptides, titanium-binding peptide 54 displayed by monoclonal M13 phage at its pIII coat protein (TBP54-M13 phage) was proved to have higher binding affinity to the substrate. The binding interaction occurred at the domain from phenylalanine at position 1 to arginine at position 6 in the sequences of TBP54 (FAETHRGFHFSF) mainly via the reaction of these residues with the Ti surface. Together the coordination and electrostatic interactions controlled the specific binding of the phage to the substrate. The binding affinity was dependent on the surface basic hydroxyl group content. In addition, the phage showed a different interaction way with the Ti surface without acid-alkali treatment along with an impaired affinity. This study could provide more understanding of the interaction mechanism between the selected peptide and its specific substrate, and develop a promising method for the biofunctionalization of titanium. Copyright © 2016 Elsevier B.V. All rights reserved.
Code of Federal Regulations, 2013 CFR
2013-07-01
... produce chlorine gas, hydrogen gas, and alkali metal hydroxide. (f) Mercury chlor-alkali electrolyzer... converted to alkali metal hydroxide, mercury, and hydrogen gas in a short-circuited, electrolytic reaction. (h) Hydrogen gas stream means a hydrogen stream formed in the chlor-alkali cell denuder. (i) End box...
Code of Federal Regulations, 2011 CFR
2011-07-01
... produce chlorine gas, hydrogen gas, and alkali metal hydroxide. (f) Mercury chlor-alkali electrolyzer... converted to alkali metal hydroxide, mercury, and hydrogen gas in a short-circuited, electrolytic reaction. (h) Hydrogen gas stream means a hydrogen stream formed in the chlor-alkali cell denuder. (i) End box...
Code of Federal Regulations, 2010 CFR
2010-07-01
... produce chlorine gas, hydrogen gas, and alkali metal hydroxide. (f) Mercury chlor-alkali electrolyzer... converted to alkali metal hydroxide, mercury, and hydrogen gas in a short-circuited, electrolytic reaction. (h) Hydrogen gas stream means a hydrogen stream formed in the chlor-alkali cell denuder. (i) End box...
Code of Federal Regulations, 2014 CFR
2014-07-01
... produce chlorine gas, hydrogen gas, and alkali metal hydroxide. (f) Mercury chlor-alkali electrolyzer... converted to alkali metal hydroxide, mercury, and hydrogen gas in a short-circuited, electrolytic reaction. (h) Hydrogen gas stream means a hydrogen stream formed in the chlor-alkali cell denuder. (i) End box...
Code of Federal Regulations, 2012 CFR
2012-07-01
... produce chlorine gas, hydrogen gas, and alkali metal hydroxide. (f) Mercury chlor-alkali electrolyzer... converted to alkali metal hydroxide, mercury, and hydrogen gas in a short-circuited, electrolytic reaction. (h) Hydrogen gas stream means a hydrogen stream formed in the chlor-alkali cell denuder. (i) End box...
Wang, Yucheng; Yang, Chuanping; Liu, Guifeng; Jiang, Jing
2007-08-01
Puccinellia tenuiflora is the main grass species growing in the saline-alkali soil of the Songnen plain in northeastern China, suggesting it has a high tolerance to saline stress. In this study, cDNA microarrays containing 1067 clones of P. tenuiflora were constructed to investigate gene expression patterns resulting from saline-alkali (NaHCO(3)) stress. RNA was extracted from P. tenuiflora treated with 400 mmol L(-1) NaHCO(3) for 6, 12, 24 and 48 h. Untreated (no saline-alkali stress) samples were used as control. A total of 95 transcripts were differentially regulated under the conditions studied, and 38, 35, 25 and 49 genes were differentially expressed with NaHCO(3) stress for 6, 12, 24 and 48h, respectively. Among these, approximately 40% were putative novel or functionally unknown genes, and the remainder function in photosynthesis, cell rescue, defense, transport, metabolism, transcription regulation and protein destination, etc. Analysis of the P. tenuiflora genes demonstrated the complexity of, and differences in, gene expression patterns resulting from different NaHCO(3) stress times. The genetic relationship between P. tenuiflora and other plants was investigated by BlastN analysis. The results showed nearly 20% of the expressed sequence tags from P. tenuiflora shared significant similarities with rice Oryza sativa, an important food crop. The close genetic relationship between these two species suggests that P. tenuiflora may be a good plant model for studying saline-alkali tolerance mechanisms in O. sativa.
Sodium to sodium carbonate conversion process
Herrmann, S.D.
1997-10-14
A method is described for converting radioactive alkali metal into a low level disposable solid waste material. The radioactive alkali metal is atomized and introduced into an aqueous caustic solution having caustic present in the range of from about 20 wt % to about 70 wt % to convert the radioactive alkali metal to a radioactive alkali metal hydroxide. The aqueous caustic containing radioactive alkali metal hydroxide and CO{sub 2} are introduced into a thin film evaporator with the CO{sub 2} present in an amount greater than required to convert the alkali metal hydroxide to a radioactive alkali metal carbonate, and thereafter the radioactive alkali metal carbonate is separated from the thin film evaporator as a dry powder. Hydroxide solutions containing toxic metal hydroxide including one or more metal ions of Sb, As, Ba, Be, Cd, Cr, Pb, Hg, Ni, Se, Ag and Tl can be converted into a low level non-hazardous waste using the thin film evaporator of the invention. 3 figs.
Controlled in-situ dissolution of an alkali metal
Jones, Jeffrey Donald; Dooley, Kirk John; Tolman, David Donald
2012-09-11
A method for the controllable dissolution of one or more alkali metals from a vessel containing a one or more alkali metals and/or one or more partially passivated alkali metals. The vessel preferably comprising a sodium, NaK or other alkali metal-cooled nuclear reactor that has been used. The alkali metal, preferably sodium, potassium or a combination thereof, in the vessel is exposed to a treatment liquid, preferably an acidic liquid, more preferably citric acid. Preferably, the treatment liquid is maintained in continuous motion relative to any surface of unreacted alkali metal with which the treatment liquid is in contact. The treatment liquid is preferably pumped into the vessel containing the one or more alkali metals and the resulting fluid is extracted and optionally further processed. Preferably, the resulting off-gases are processed by an off-gas treatment system and the resulting liquids are processed by a liquid disposal system. In one preferred embodiment, an inert gas is pumped into the vessel along with the treatment liquid.
Method for exploratory cluster analysis and visualisation of single-trial ERP ensembles.
Williams, N J; Nasuto, S J; Saddy, J D
2015-07-30
The validity of ensemble averaging on event-related potential (ERP) data has been questioned, due to its assumption that the ERP is identical across trials. Thus, there is a need for preliminary testing for cluster structure in the data. We propose a complete pipeline for the cluster analysis of ERP data. To increase the signal-to-noise (SNR) ratio of the raw single-trials, we used a denoising method based on Empirical Mode Decomposition (EMD). Next, we used a bootstrap-based method to determine the number of clusters, through a measure called the Stability Index (SI). We then used a clustering algorithm based on a Genetic Algorithm (GA) to define initial cluster centroids for subsequent k-means clustering. Finally, we visualised the clustering results through a scheme based on Principal Component Analysis (PCA). After validating the pipeline on simulated data, we tested it on data from two experiments - a P300 speller paradigm on a single subject and a language processing study on 25 subjects. Results revealed evidence for the existence of 6 clusters in one experimental condition from the language processing study. Further, a two-way chi-square test revealed an influence of subject on cluster membership. Our analysis operates on denoised single-trials, the number of clusters are determined in a principled manner and the results are presented through an intuitive visualisation. Given the cluster structure in some experimental conditions, we suggest application of cluster analysis as a preliminary step before ensemble averaging. Copyright © 2015 Elsevier B.V. All rights reserved.
Composition, morphology, and growth of clusters in a gas of particles with random interactions
NASA Astrophysics Data System (ADS)
Azizi, Itay; Rabin, Yitzhak
2018-03-01
We use Langevin dynamics simulations to study the growth kinetics and the steady-state properties of condensed clusters in a dilute two-dimensional system of particles that are all different (APD) in the sense that each particle is characterized by a randomly chosen interaction parameter. The growth exponents, the transition temperatures, and the steady-state properties of the clusters and of the surrounding gas phase are obtained and compared with those of one-component systems. We investigate the fractionation phenomenon, i.e., how particles of different identities are distributed between the coexisting mother (gas) and daughter (clusters) phases. We study the local organization of particles inside clusters, according to their identity—neighbourhood identity ordering (NIO)—and compare the results with those of previous studies of NIO in dense APD systems.
Eisner, Brian H; Asplin, John R; Goldfarb, David S; Ahmad, Ardalanejaz; Stoller, Marshall L
2010-06-01
Citrate is a known inhibitor of calcium stone formation. Dietary citrate and alkali intake may have an effect on citraturia. Increasing alkali intake also increases urine pH, which can help prevent uric acid stones. We determined citrate, malate and total alkali concentrations in commonly consumed diet sodas to help direct dietary recommendations in patients with hypocitraturic calcium or uric acid nephrolithiasis. Citrate and malate were measured in a lemonade beverage commonly used to treat hypocitraturic calcium nephrolithiasis and in 15 diet sodas. Anions were measured by ion chromatography. The pH of each beverage was measured to allow calculation of the unprotonated anion concentration using the known pK of citric and malic acid. Total alkali equivalents were calculated for each beverage. Statistical analysis was done using Pearson's correlation coefficient. Several sodas contained an amount of citrate equal to or greater than that of alkali and total alkali as a lemonade beverage commonly used to treat hypocitraturic calcium nephrolithiasis (6.30 mEq/l citrate as alkali and 6.30 as total alkali). These sodas were Diet Sunkist Orange, Diet 7Up, Sprite Zero, Diet Canada Dry Ginger Ale, Sierra Mist Free, Diet Orange Crush, Fresca and Diet Mountain Dew. Colas, including Caffeine Free Diet Coke, Coke Zero, Caffeine Free Diet Pepsi and Diet Coke with Lime, had the lowest total alkali (less than 1.0 mEq/l). There was no significant correlation between beverage pH and total alkali content. Several commonly consumed diet sodas contain moderate amounts of citrate as alkali and total alkali. This information is helpful for dietary recommendations in patients with calcium nephrolithiasis, specifically those with hypocitraturia. It may also be useful in patients with low urine pH and uric acid stones. Beverage malate content is also important since malate ingestion increases the total alkali delivered, which in turn augments citraturia and increases urine pH. Copyright 2010 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.
Coarse Point Cloud Registration by Egi Matching of Voxel Clusters
NASA Astrophysics Data System (ADS)
Wang, Jinhu; Lindenbergh, Roderik; Shen, Yueqian; Menenti, Massimo
2016-06-01
Laser scanning samples the surface geometry of objects efficiently and records versatile information as point clouds. However, often more scans are required to fully cover a scene. Therefore, a registration step is required that transforms the different scans into a common coordinate system. The registration of point clouds is usually conducted in two steps, i.e. coarse registration followed by fine registration. In this study an automatic marker-free coarse registration method for pair-wise scans is presented. First the two input point clouds are re-sampled as voxels and dimensionality features of the voxels are determined by principal component analysis (PCA). Then voxel cells with the same dimensionality are clustered. Next, the Extended Gaussian Image (EGI) descriptor of those voxel clusters are constructed using significant eigenvectors of each voxel in the cluster. Correspondences between clusters in source and target data are obtained according to the similarity between their EGI descriptors. The random sampling consensus (RANSAC) algorithm is employed to remove outlying correspondences until a coarse alignment is obtained. If necessary, a fine registration is performed in a final step. This new method is illustrated on scan data sampling two indoor scenarios. The results of the tests are evaluated by computing the point to point distance between the two input point clouds. The presented two tests resulted in mean distances of 7.6 mm and 9.5 mm respectively, which are adequate for fine registration.
Siriwardane, Ranjani V.; Rosencwaig, Shira
2015-07-14
Method for the production of a clay-alkali-amine CO.sub.2 sorbent prepared by integrating a clay substrate, basic alkali salt, and amine liquid. The basic alkali salt is present relative to the clay substrate in a weight ratio of from about 1 part to about 50 parts per 100 parts of the clay substrate. The amine liquid is present relative to a clay-alkali combination in a weight ratio of from about 1 part to about 10 parts per 10 parts of the clay-alkali combination. The clay substrate and basic alkali salt may be combined in a solid-solid heterogeneous mixture and followed by introduction of the amine liquid. Alternatively, an alkaline solution may be blended with the amine solution prior to contacting the clay substrate. The clay-alkali-amine CO.sub.2 sorbent is particularly advantageous for low temperature CO.sub.2 removal cycles in a gas stream having a CO.sub.2 concentration less than around 2000 ppm and an oxygen concentration around 21%, such as air. Results are presented illustrating the performance of the clay-alkali-amine CO.sub.2 sorbent compared to a clay-amine sorbent lacking the alkali inclusion.
Ling, Shi-qi; Li, Wei-hua; Xu, Jian-gang; Kuang, Wen-hui; Li, Chao-yang
2010-11-01
To discuss the relationship between corneal lymphangiogenesis and inflammation index (IF) in alkali burned corneas. Experimental research. Rat corneal hemangiogenesis and lymphangiogenesis were examined by 5'-nase-alkaline phosphatase (5'-NA-ALP) double enzyme-histochemistry and whole mount immunofluorescence at 1 day, 3 days, and 1, 2, 3, 4, 5, 6, 7, 8 weeks after alkaline burns, and the blood vessel counting (BVC) and the lymphatic vessel counting (LVC) were recorded. The state of corneal inflammation was observed under the slit lamp and evaluated by inflammation index (IF) grading at the same time. Then, the association of LVC with IF was examined. In addition, eleven human alkali burned corneas were obtained from 11 patients undergoing corneal transplantation in Zhongshan Ophthalmic Center from January 2005 to June 2008. Corneal lymphangiogenesis was examined by lymphatic vessel endothelial receptor (LYVE-1) immunohistochemistry. The significance of the differences in IF, inflammatory cells counting, burn history, and age between two groups was analyzed by using paired student's t-test. New lymphatic vessels were present in rat alkali burned corneas. Corneal lymphangiogenesis developed 3 days after alkaline burns, reached the top 2 weeks after the injury, then decreased gradually, and disappeared at the end of the 5th week. Corneal lymphatics occurred behind corneal inflammation, but disappeared before corneal inflammation and hemangiogenesis. LVC was strongly and positively correlated with IF (r = 0.572, P < 0.01) after corneal alkaline burns. Among eleven human alkali burned corneas, corneal lymphatic vessels were present in 3 corneas. Compared with the other 8 cases without corneal lymphangiogenesis, the scores of IF was significantly higher (t = 3.28, P < 0.05), the inflammatory cells counting dramatically increased (t = 2.42, P < 0.05), but the age decreased significantly (t = 2.62, P < 0.05). However, the difference in burn history between two groups was not significant (t = 1.28, P > 0.05). Corneal lymphangiogenesis develops after alkaline-burns and correlates closely with inflammation index.
NASA Astrophysics Data System (ADS)
Chichirova, N. D.; Chichirov, A. A.; Lyapin, A. I.; Minibaev, A. I.; Silov, I. Yu.; Tolmachev, L. I.
2016-12-01
Thermal power stations (TPS) are the main source of highly mineralized effluents affecting the environment. An analysis of their water systems demonstrates that alkaline effluents prevail at TPSs. Extraction of an alkali from highly mineralized effluents can make the recycling of effluents economically feasible. A method is proposed of electromembrane recycling of liquid alkaline highly mineralized wastes from TPSs. The process includes electromembrane apparatuses of two types, namely, a diffusion dialysis extractor (DDE) intended for extraction of the alkali from a highly mineralized solution having a complex composition and an electrodialysis concentrator for increasing the concentration of the extracted solution to a value suitable for use in water treatment plants at TPSs. For implementation of the first process (i.e. the extraction of alkali from alkaline-salt solution) various membranes from various manufacturers were studied: CM-PAD and AM-PAD (Ralex, Czechia), MK-40, MA-40, MA-41, MA-414, and MB-2 (OOO OKhK "Shchekinoazot", Russia), AR103-QDF and CR61-CMP (Ionies Inc., USA). The experiments demonstrate that the acceptable degree of separation of the alkali and the salt is achieved in a pair of cation-exchange membranes with the efficiency of separation being higher without an electric field. The highest efficiency was attained with Russian-made membranes (MK-40, OOO OKhK "Shchekinoazot"). A full scale experiment on recycling of highly-mineralized blowdown water from the evaporating water treatment system at the Kazan cogeneration power station No. 3 (TETs-3) was performed in a pilot unit consisting of two electromembrane apparatuses made by UAB "Membraninės Technologijos LT". In the experiments every ton of blowdown water yielded 0.1 t of concentrated alkaline solution with an alkali content of up to 4 wt % and 0.9 t of the softened salt solution suitable for the reuse in the TPS cycle. The power rate is 6 kWh / ton of blowdown water.
HPLC-DAD-ESI-MS Analysis of Flavonoids from Leaves of Different Cultivars of Sweet Osmanthus.
Wang, Yiguang; Fu, Jianxin; Zhang, Chao; Zhao, Hongbo
2016-09-14
Osmanthus fragrans Lour. has traditionally been a popular ornamental plant in China. In this study, ethanol extracts of the leaves of four cultivar groups of O. fragrans were analyzed by high-performance liquid chromatography coupled with diode array detection (HPLC-DAD) and high-performance liquid chromatography with electrospray ionization and mass spectrometry (HPLC-ESI-MS). The results suggest that variation in flavonoids among O. fragrans cultivars is quantitative, rather than qualitative. Fifteen components were detected and separated, among which, the structures of 11 flavonoids and two coumarins were identified or tentatively identified. According to principal component analysis (PCA) and hierarchical cluster analysis (HCA) based on the abundance of these components (expressed as rutin equivalents), 22 selected cultivars were classified into four clusters. The seven cultivars from Cluster III ('Xiaoye Sugui', 'Boye Jingui', 'Wuyi Dangui', 'Yingye Dangui', 'Danzhuang', 'Foding Zhu', and 'Tianxiang Taige'), which are enriched in rutin and total flavonoids, and 'Sijigui' from Cluster II which contained the highest amounts of kaempferol glycosides and apigenin 7-O-glucoside, could be selected as potential pharmaceutical resources. However, the chemotaxonomy in this paper does not correlate with the distribution of the existing cultivar groups, demonstrating that the distribution of flavonoids in O. fragrans leaves does not provide an effective means of classification for O. fragrans cultivars based on flower color.
NASA Astrophysics Data System (ADS)
Hummelshøj, J. S.; Landis, D. D.; Voss, J.; Jiang, T.; Tekin, A.; Bork, N.; Dułak, M.; Mortensen, J. J.; Adamska, L.; Andersin, J.; Baran, J. D.; Barmparis, G. D.; Bell, F.; Bezanilla, A. L.; Bjork, J.; Björketun, M. E.; Bleken, F.; Buchter, F.; Bürkle, M.; Burton, P. D.; Buus, B. B.; Calborean, A.; Calle-Vallejo, F.; Casolo, S.; Chandler, B. D.; Chi, D. H.; Czekaj, I.; Datta, S.; Datye, A.; DeLaRiva, A.; Despoja, V.; Dobrin, S.; Engelund, M.; Ferrighi, L.; Frondelius, P.; Fu, Q.; Fuentes, A.; Fürst, J.; García-Fuente, A.; Gavnholt, J.; Goeke, R.; Gudmundsdottir, S.; Hammond, K. D.; Hansen, H. A.; Hibbitts, D.; Hobi, E.; Howalt, J. G.; Hruby, S. L.; Huth, A.; Isaeva, L.; Jelic, J.; Jensen, I. J. T.; Kacprzak, K. A.; Kelkkanen, A.; Kelsey, D.; Kesanakurthi, D. S.; Kleis, J.; Klüpfel, P. J.; Konstantinov, I.; Korytar, R.; Koskinen, P.; Krishna, C.; Kunkes, E.; Larsen, A. H.; Lastra, J. M. G.; Lin, H.; Lopez-Acevedo, O.; Mantega, M.; Martínez, J. I.; Mesa, I. N.; Mowbray, D. J.; Mýrdal, J. S. G.; Natanzon, Y.; Nistor, A.; Olsen, T.; Park, H.; Pedroza, L. S.; Petzold, V.; Plaisance, C.; Rasmussen, J. A.; Ren, H.; Rizzi, M.; Ronco, A. S.; Rostgaard, C.; Saadi, S.; Salguero, L. A.; Santos, E. J. G.; Schoenhalz, A. L.; Shen, J.; Smedemand, M.; Stausholm-Møller, O. J.; Stibius, M.; Strange, M.; Su, H. B.; Temel, B.; Toftelund, A.; Tripkovic, V.; Vanin, M.; Viswanathan, V.; Vojvodic, A.; Wang, S.; Wellendorff, J.; Thygesen, K. S.; Rossmeisl, J.; Bligaard, T.; Jacobsen, K. W.; Nørskov, J. K.; Vegge, T.
2009-07-01
We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition metal atom (M2) plus two to five (BH4)- groups, i.e., M1M2(BH4)2-5, using a number of model structures with trigonal, tetrahedral, octahedral, and free coordination of the metal borohydride complexes. Of the over 700 investigated structures, about 20 were predicted to form potentially stable alloys with promising decomposition energies. The M1(Al/Mn/Fe)(BH4)4, (Li/Na)Zn(BH4)3, and (Na/K)(Ni/Co)(BH4)3 alloys are found to be the most promising, followed by selected M1(Nb/Rh)(BH4)4 alloys.
Theoretical study of the diatomic alkali and alkaline-earth oxides
NASA Technical Reports Server (NTRS)
Langhoff, S. R.; Bauschlicher, C. W., Jr.; Partridge, H.
1986-01-01
Theoretical dissociation energies for the ground states of the alkali and alkaline earth oxides are presented that are believed to be accurate to 0.1 eV. The 2 Pi - 2 Sigma + separations for the alkali oxides are found to be more sensitive to basis set than to electron correlation. Predicted 2 Pi ground states for LiO and NaO and 2 Sigma + ground states for RbO and CsO are found to be in agreement with previous theoretical and experimental work. For KO, a 2 Sigma + state is found at both the numerical Hartree-Fock (NHF) level and at the singles plus doubles configuration interaction level using a Slater basis set that is within 0.02 eV of the NHF limit. It is found that an accurate balanced treatment of the two states requires correlating the electrons on both the metal and oxide ion.
Fracture properties of concrete specimens made from alkali activated binders
NASA Astrophysics Data System (ADS)
Šimonová, Hana; Kucharczyková, Barbara; Topolář, Libor; Bílek, Vlastimil, Jr.; Keršner, Zbyněk
2017-09-01
The aim of this paper is to quantify crack initiation and other fracture properties - effective fracture toughness and specific fracture energy - of two types of concrete with an alkali activated binder. The beam specimens with a stress concentrator were tested in a three-point bending test after 28, 90, and 365 days of maturing. Records of fracture tests in the form of load versus deflection (P-d) diagrams were evaluated using effective crack model and work-of-fracture method and load versus mouth crack opening displacement (P-CMOD) diagrams were evaluated using the Double-K fracture model. The initiation of cracks during the fracture tests for all ages was also monitored by the acoustic emission method. The higher value of monitored mechanical fracture parameters of concrete with alkali activated blast furnace slag were achieved with substitution blast furnace slag by low calcium fly ash in comparison with substitution by cement kiln dust.
Evaluation of the physi- and chemisorption of hydrogen in alkali (Na, Li) doped fullerenes
Ward, Patrick A.; Teprovich, Jr., Jospeph A.; Compton, Robert N.; ...
2015-01-11
Here, alkali doped fullerenes synthesized by two different solvent assisted mixing techniques are compared for their hydrogen uptake activity. In this study we investigated the interaction of hydrogen with alkali doped fullerenes via physisorption. In addition, we present the first mass spectrometric evidence for the formation of C 60H 60 via chemisorption. Hydrogen physisorption isotherms up to 1 atm at temperatures ranging from 77-303 K were measured demonstrating an increase in hydrogen uptake versus pure C 60 and increased isosteric heats of adsorption for the lithium doped fullerene Li 12C 60. However, despite these improvements the low amount of physisorbedmore » hydrogen at 1 atm and 77 K in these materials suggests that fullerenes do not possess enough accessible surface area to effectively store hydrogen due to their close packed crystalline nature.« less
Accounting for noise when clustering biological data.
Sloutsky, Roman; Jimenez, Nicolas; Swamidass, S Joshua; Naegle, Kristen M
2013-07-01
Clustering is a powerful and commonly used technique that organizes and elucidates the structure of biological data. Clustering data from gene expression, metabolomics and proteomics experiments has proven to be useful at deriving a variety of insights, such as the shared regulation or function of biochemical components within networks. However, experimental measurements of biological processes are subject to substantial noise-stemming from both technical and biological variability-and most clustering algorithms are sensitive to this noise. In this article, we explore several methods of accounting for noise when analyzing biological data sets through clustering. Using a toy data set and two different case studies-gene expression and protein phosphorylation-we demonstrate the sensitivity of clustering algorithms to noise. Several methods of accounting for this noise can be used to establish when clustering results can be trusted. These methods span a range of assumptions about the statistical properties of the noise and can therefore be applied to virtually any biological data source.
Cúmulos jóvenes inmersos en campos de edad intermedia en la barra de la Nube Mayor de Magallanes
NASA Astrophysics Data System (ADS)
Piatti, A. E.; Geisler, D.; Bica, E.; Clariá, J. J.
We present Washington system photometry for 11 star clusters immersed in the northwest part of the Large Magellanic Cloud (LMC) bar. The fields are heavily populated by the intermediate-age component of the LMC bar. We succeeded in disentangling cluster colour-magnitude diagrams from those of the fields and in deriving reddening and ages for five clusters - SL 218, BRHT4b, NGC 1839, NGC 1838 and NGC 1863 - with the aid of recent Washington System theoretical isochrones. The resulting cluster ages range between 50 and 125 Myr. Despite their proximity, NGC 1836 and BRHT4b have very different ages. Thus the possibility for these two objects being a binary cluster is very unlikely, although a capture cannot be ruled out a priori. Our results suggest that for each intermediate-age cluster remaining in the LMC bar region, a number of robust young blue star clusters occurs in the same region (Piatti et al. 2003, MNRAS, 343, 851).
Sarrafzadeh, Omid; Dehnavi, Alireza Mehri
2015-01-01
Segmentation of leukocytes acts as the foundation for all automated image-based hematological disease recognition systems. Most of the time, hematologists are interested in evaluation of white blood cells only. Digital image processing techniques can help them in their analysis and diagnosis. The main objective of this paper is to detect leukocytes from a blood smear microscopic image and segment them into their two dominant elements, nucleus and cytoplasm. The segmentation is conducted using two stages of applying K-means clustering. First, the nuclei are segmented using K-means clustering. Then, a proposed method based on region growing is applied to separate the connected nuclei. Next, the nuclei are subtracted from the original image. Finally, the cytoplasm is segmented using the second stage of K-means clustering. The results indicate that the proposed method is able to extract the nucleus and cytoplasm regions accurately and works well even though there is no significant contrast between the components in the image. In this paper, a method based on K-means clustering and region growing is proposed in order to detect leukocytes from a blood smear microscopic image and segment its components, the nucleus and the cytoplasm. As region growing step of the algorithm relies on the information of edges, it will not able to separate the connected nuclei more accurately in poor edges and it requires at least a weak edge to exist between the nuclei. The nucleus and cytoplasm segments of a leukocyte can be used for feature extraction and classification which leads to automated leukemia detection.
Nucleus and cytoplasm segmentation in microscopic images using K-means clustering and region growing
Sarrafzadeh, Omid; Dehnavi, Alireza Mehri
2015-01-01
Background: Segmentation of leukocytes acts as the foundation for all automated image-based hematological disease recognition systems. Most of the time, hematologists are interested in evaluation of white blood cells only. Digital image processing techniques can help them in their analysis and diagnosis. Materials and Methods: The main objective of this paper is to detect leukocytes from a blood smear microscopic image and segment them into their two dominant elements, nucleus and cytoplasm. The segmentation is conducted using two stages of applying K-means clustering. First, the nuclei are segmented using K-means clustering. Then, a proposed method based on region growing is applied to separate the connected nuclei. Next, the nuclei are subtracted from the original image. Finally, the cytoplasm is segmented using the second stage of K-means clustering. Results: The results indicate that the proposed method is able to extract the nucleus and cytoplasm regions accurately and works well even though there is no significant contrast between the components in the image. Conclusions: In this paper, a method based on K-means clustering and region growing is proposed in order to detect leukocytes from a blood smear microscopic image and segment its components, the nucleus and the cytoplasm. As region growing step of the algorithm relies on the information of edges, it will not able to separate the connected nuclei more accurately in poor edges and it requires at least a weak edge to exist between the nuclei. The nucleus and cytoplasm segments of a leukocyte can be used for feature extraction and classification which leads to automated leukemia detection. PMID:26605213
Detection Of Concrete Deterioration By Staining
Guthrie, Jr., George D.; Carey, J. William
1999-09-21
A method using concentrated aqueous solutions of sodium cobaltinitrite and a rhodamine dye is described which can be used to identify concrete that contains gels formed by the alkali-silica reaction (ASR), and to identify degraded concrete which results in a porous or semi-permeable paste due to carbonation or leaching. These solutions present little health or environmental risk, are readily applied, and rapidly discriminate between two chemically distinct gels; K-rich, Na--K--Ca--Si gels are identified by yellow staining, and alkali-poor, Ca--Si gels are identified by pink staining.
Effects of various additives on sintering of aluminum nitride
NASA Technical Reports Server (NTRS)
Komeya, K.; Inoue, H.; Tsuge, A.
1982-01-01
Effects of thirty additives on sintering A/N were investigated. The addition of alkali earth oxides and rare earth oxides gave fully densified aluminum nitride. This is due to the formation of nitrogen-containing aluminate liquid in the system aluminum nitride-alkali earth oxides or rare earth oxides. Microstructural studies of the sintered specimens with the above two types of additives suggested that the densification was due to the liquid phase sintering. Additions of silicon compounds resulted in poor densification by the formation of highly refractory compounds such as A/N polytypes.
Water quality analysis of the Rapur area, Andhra Pradesh, South India using multivariate techniques
NASA Astrophysics Data System (ADS)
Nagaraju, A.; Sreedhar, Y.; Thejaswi, A.; Sayadi, Mohammad Hossein
2017-10-01
The groundwater samples from Rapur area were collected from different sites to evaluate the major ion chemistry. The large number of data can lead to difficulties in the integration, interpretation, and representation of the results. Two multivariate statistical methods, hierarchical cluster analysis (HCA) and factor analysis (FA), were applied to evaluate their usefulness to classify and identify geochemical processes controlling groundwater geochemistry. Four statistically significant clusters were obtained from 30 sampling stations. This has resulted two important clusters viz., cluster 1 (pH, Si, CO3, Mg, SO4, Ca, K, HCO3, alkalinity, Na, Na + K, Cl, and hardness) and cluster 2 (EC and TDS) which are released to the study area from different sources. The application of different multivariate statistical techniques, such as principal component analysis (PCA), assists in the interpretation of complex data matrices for a better understanding of water quality of a study area. From PCA, it is clear that the first factor (factor 1), accounted for 36.2% of the total variance, was high positive loading in EC, Mg, Cl, TDS, and hardness. Based on the PCA scores, four significant cluster groups of sampling locations were detected on the basis of similarity of their water quality.
NASA Astrophysics Data System (ADS)
Elghobashy, Mohamed R.; Bebawy, Lories I.; Shokry, Rafeek F.; Abbas, Samah S.
2016-03-01
A sensitive and selective stability-indicating successive ratio subtraction coupled with constant multiplication (SRS-CM) spectrophotometric method was studied and developed for the spectrum resolution of five component mixture without prior separation. The components were hydroquinone in combination with tretinoin, the polymer formed from hydroquinone alkali degradation, 1,4 benzoquinone and the preservative methyl paraben. The proposed method was used for their determination in their pure form and in pharmaceutical formulation. The zero order absorption spectra of hydroquinone, tretinoin, 1,4 benzoquinone and methyl paraben were determined at 293, 357.5, 245 and 255.2 nm, respectively. The calibration curves were linear over the concentration ranges of 4.00-46.00, 1.00-7.00, 0.60-5.20, and 1.00-7.00 μg mL- 1 for hydroquinone, tretinoin, 1,4 benzoquinone and methyl paraben, respectively. The pharmaceutical formulation was subjected to mild alkali condition and measured by this method resulting in the polymerization of hydroquinone and the formation of toxic 1,4 benzoquinone. The proposed method was validated according to ICH guidelines. The results obtained were statistically analyzed and compared with those obtained by applying the reported method.
Elghobashy, Mohamed R; Bebawy, Lories I; Shokry, Rafeek F; Abbas, Samah S
2016-03-15
A sensitive and selective stability-indicating successive ratio subtraction coupled with constant multiplication (SRS-CM) spectrophotometric method was studied and developed for the spectrum resolution of five component mixture without prior separation. The components were hydroquinone in combination with tretinoin, the polymer formed from hydroquinone alkali degradation, 1,4 benzoquinone and the preservative methyl paraben. The proposed method was used for their determination in their pure form and in pharmaceutical formulation. The zero order absorption spectra of hydroquinone, tretinoin, 1,4 benzoquinone and methyl paraben were determined at 293, 357.5, 245 and 255.2 nm, respectively. The calibration curves were linear over the concentration ranges of 4.00-46.00, 1.00-7.00, 0.60-5.20, and 1.00-7.00 μg mL(-1) for hydroquinone, tretinoin, 1,4 benzoquinone and methyl paraben, respectively. The pharmaceutical formulation was subjected to mild alkali condition and measured by this method resulting in the polymerization of hydroquinone and the formation of toxic 1,4 benzoquinone. The proposed method was validated according to ICH guidelines. The results obtained were statistically analyzed and compared with those obtained by applying the reported method. Copyright © 2015. Published by Elsevier B.V.
Galaxy Distribution in Clusters of Galaxies
NASA Astrophysics Data System (ADS)
Okamoto, T.; Yachi, S.; Habe, A.
beta-discrepancy have been pointed out from comparison of optical and X-ray observations of clusters of galaxies. To examine physical reason of beta-discrepancy, we use N-body simulation which contains two components, dark particles and galaxies which are identified by using adaptive-linking friend of friend technique at a certain red-shift. The gas component is not included here, since the gas distribution follows the dark matter distribution in dark halos (Jubio F. Navarro, Carlos S. Frenk and Simon D. M. White 1995). We find that the galaxy distribution follows the dark matter distribution, therefore beta-discrepancy does not exist, and this result is consistent with the interpretation of the beta-discrepancy by Bahcall and Lubin (1994), which was based on recent observation.
Relaxation dynamics of maximally clustered networks
NASA Astrophysics Data System (ADS)
Klaise, Janis; Johnson, Samuel
2018-01-01
We study the relaxation dynamics of fully clustered networks (maximal number of triangles) to an unclustered state under two different edge dynamics—the double-edge swap, corresponding to degree-preserving randomization of the configuration model, and single edge replacement, corresponding to full randomization of the Erdős-Rényi random graph. We derive expressions for the time evolution of the degree distribution, edge multiplicity distribution and clustering coefficient. We show that under both dynamics networks undergo a continuous phase transition in which a giant connected component is formed. We calculate the position of the phase transition analytically using the Erdős-Rényi phenomenology.
Samsir, Sri A'jilah; Bunawan, Hamidun; Yen, Choong Chee; Noor, Normah Mohd
2016-09-01
In this dataset, we distinguish 15 accessions of Garcinia mangostana from Peninsular Malaysia using Fourier transform-infrared spectroscopy coupled with chemometric analysis. We found that the position and intensity of characteristic peaks at 3600-3100 cm(-) (1) in IR spectra allowed discrimination of G. mangostana from different locations. Further principal component analysis (PCA) of all the accessions suggests the two main clusters were formed: samples from Johor, Melaka, and Negeri Sembilan (South) were clustered together in one group while samples from Perak, Kedah, Penang, Selangor, Kelantan, and Terengganu (North and East Coast) were in another clustered group.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Jin, Ling; Harley, Robert A.; Brown, Nancy J.
Cluster analysis was applied to daily 8 h ozone maxima modeled for a summer season to characterize meteorology-induced variations in the spatial distribution of ozone. Principal component analysis is employed to form a reduced dimension set to describe and interpret ozone spatial patterns. The first three principal components (PCs) capture {approx}85% of total variance, with PC1 describing a general spatial trend, and PC2 and PC3 each describing a spatial contrast. Six clusters were identified for California's San Joaquin Valley (SJV) with two low, three moderate, and one high-ozone cluster. The moderate ozone clusters are distinguished by elevated ozone levels inmore » different parts of the valley: northern, western, and eastern, respectively. The SJV ozone clusters have stronger coupling with the San Francisco Bay area (SFB) than with the Sacramento Valley (SV). Variations in ozone spatial distributions induced by anthropogenic emission changes are small relative to the overall variations in ozone amomalies observed for the whole summer. Ozone regimes identified here are mostly determined by the direct and indirect meteorological effects. Existing measurement sites are sufficiently representative to capture ozone spatial patterns in the SFB and SV, but the western side of the SJV is under-sampled.« less
Tsai, Yu-Cheng; Cooke, Nancy E.; Liebhaber, Stephen A.
2016-01-01
Abstract The relationships of higher order chromatin organization to mammalian gene expression remain incompletely defined. The human Growth Hormone (hGH) multigene cluster contains five gene paralogs. These genes are selectively activated in either the pituitary or the placenta by distinct components of a remote locus control region (LCR). Prior studies have revealed that appropriate activation of the placental genes is dependent not only on the actions of the LCR, but also on the multigene composition of the cluster itself. Here, we demonstrate that the hGH LCR ‘loops’ over a distance of 28 kb in primary placental nuclei to make specific contacts with the promoters of the two GH genes in the cluster. This long-range interaction sequesters the GH genes from the three hCS genes which co-assemble into a tightly packed ‘hCS chromatin hub’. Elimination of the long-range looping, via specific deletion of the placental LCR components, triggers a dramatic disruption of the hCS chromatin hub. These data reveal a higher-order structural pathway by which long-range looping from an LCR impacts on local chromatin architecture that is linked to tissue-specific gene regulation within a multigene cluster. PMID:26893355
40 CFR 721.1878 - Alkali metal alkyl borohydride (generic).
Code of Federal Regulations, 2010 CFR
2010-07-01
... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkali metal alkyl borohydride... Specific Chemical Substances § 721.1878 Alkali metal alkyl borohydride (generic). (a) Chemical substance... alkali metal alkyl borohydride (PMN P-00-1089) is subject to reporting under this section for the...
40 CFR 721.5452 - Alkali metal salt of halogenated organoborate (generic).
Code of Federal Regulations, 2011 CFR
2011-07-01
... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Alkali metal salt of halogenated... Specific Chemical Substances § 721.5452 Alkali metal salt of halogenated organoborate (generic). (a... generically as alkali metal salt of halogenated organoborate (PMN P-00-0638) is subject to reporting under...
40 CFR 721.5452 - Alkali metal salt of halogenated organoborate (generic).
Code of Federal Regulations, 2010 CFR
2010-07-01
... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkali metal salt of halogenated... Specific Chemical Substances § 721.5452 Alkali metal salt of halogenated organoborate (generic). (a... generically as alkali metal salt of halogenated organoborate (PMN P-00-0638) is subject to reporting under...
40 CFR 721.1878 - Alkali metal alkyl borohydride (generic).
Code of Federal Regulations, 2011 CFR
2011-07-01
... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Alkali metal alkyl borohydride... Specific Chemical Substances § 721.1878 Alkali metal alkyl borohydride (generic). (a) Chemical substance... alkali metal alkyl borohydride (PMN P-00-1089) is subject to reporting under this section for the...
EXTINGUISHMENT OF ALKALI METAL FIRES
was found to be effective on low temperature (1000F) fires and was useful on alkali metal fires on or under insulation. Organic liquids were not...particularly effective on alkali metal fires . A section is presented on a typical alkali metal system which might be used to generate electrical power in space.
A semi-supervised classification algorithm using the TAD-derived background as training data
NASA Astrophysics Data System (ADS)
Fan, Lei; Ambeau, Brittany; Messinger, David W.
2013-05-01
In general, spectral image classification algorithms fall into one of two categories: supervised and unsupervised. In unsupervised approaches, the algorithm automatically identifies clusters in the data without a priori information about those clusters (except perhaps the expected number of them). Supervised approaches require an analyst to identify training data to learn the characteristics of the clusters such that they can then classify all other pixels into one of the pre-defined groups. The classification algorithm presented here is a semi-supervised approach based on the Topological Anomaly Detection (TAD) algorithm. The TAD algorithm defines background components based on a mutual k-Nearest Neighbor graph model of the data, along with a spectral connected components analysis. Here, the largest components produced by TAD are used as regions of interest (ROI's),or training data for a supervised classification scheme. By combining those ROI's with a Gaussian Maximum Likelihood (GML) or a Minimum Distance to the Mean (MDM) algorithm, we are able to achieve a semi supervised classification method. We test this classification algorithm against data collected by the HyMAP sensor over the Cooke City, MT area and University of Pavia scene.
Clustering of dietary intake and sedentary behavior in 2-year-old children.
Gubbels, Jessica S; Kremers, Stef P J; Stafleu, Annette; Dagnelie, Pieter C; de Vries, Sanne I; de Vries, Nanne K; Thijs, Carel
2009-08-01
To examine clustering of energy balance-related behaviors (EBRBs) in young children. This is crucial because lifestyle habits are formed at an early age and track in later life. This study is the first to examine EBRB clustering in children as young as 2 years. Cross-sectional data originated from the Child, Parent and Health: Lifestyle and Genetic Constitution (KOALA) Birth Cohort Study. Parents of 2578 2-year-old children completed a questionnaire. Correlation analyses, principal component analyses, and linear regression analyses were performed to examine clustering of EBRBs. We found modest but consistent correlations in EBRBs. Two clusters emerged: a "sedentary-snacking cluster" and a "fiber cluster." Television viewing clustered with computer use and unhealthy dietary behaviors. Children who frequently consumed vegetables also consumed fruit and brown bread more often and white bread less often. Lower maternal education and maternal obesity were associated with high scores on the sedentary-snacking cluster, whereas higher educational level was associated with high fiber cluster scores. Obesity-prone behavioral clusters are already visible in 2-year-old children and are related to maternal characteristics. The findings suggest that obesity prevention should apply an integrated approach to physical activity and dietary intake in early childhood.
NASA Astrophysics Data System (ADS)
Jee, M. James; Hughes, John P.; Menanteau, Felipe; Sifón, Cristóbal; Mandelbaum, Rachel; Barrientos, L. Felipe; Infante, Leopoldo; Ng, Karen Y.
2014-04-01
We present a Hubble Space Telescope weak-lensing study of the merging galaxy cluster "El Gordo" (ACT-CL J0102-4915) at z = 0.87 discovered by the Atacama Cosmology Telescope (ACT) collaboration as the strongest Sunyaev-Zel'dovich decrement in its ~1000 deg2 survey. Our weak-lensing analysis confirms that ACT-CL J0102-4915 is indeed an extreme system consisting of two massive (gsim 1015 M ⊙ each) subclusters with a projected separation of {\\sim }0.7\\,h_{70}^{-1} Mpc. This binary mass structure revealed by our lensing study is consistent with the cluster galaxy distribution and the dynamical study carried out with 89 spectroscopic members. We estimate the mass of ACT-CL J0102-4915 by simultaneously fitting two axisymmetric Navarro-Frenk-White (NFW) profiles allowing their centers to vary. We use only a single parameter for the NFW mass profile by enforcing the mass-concentration relation from numerical simulations. Our Markov-Chain-Monte-Carlo analysis shows that the masses of the northwestern (NW) and the southeastern (SE) components are M_{200c}=(1.38+/- 0.22)\\times 10^{15} \\,h_{70}^{-1}\\, M_{\\odot } and (0.78+/- 0.20)\\times 10^{15} \\,h_{70}^{-1}\\, M_{\\odot }, respectively, where the quoted errors include only 1σ statistical uncertainties determined by the finite number of source galaxies. These mass estimates are subject to additional uncertainties (20%-30%) due to the possible presence of triaxiality, correlated/uncorrelated large scale structure, and departure of the cluster profile from the NFW model. The lensing-based velocity dispersions are 1133_{-61}^{+58}\\; km\\; s^{-1} and 1064_{-66} ^{+62}\\; km\\; s^{-1} for the NW and SE components, respectively, which are consistent with their spectroscopic measurements (1290 ± 134 km s-1 and 1089 ± 200 km s-1, respectively). The centroids of both components are tightly constrained (~4'') and close to the optical luminosity centers. The X-ray and mass peaks are spatially offset by ~8'' ({\\sim }62\\,h_{70}^{-1} kpc), which is significant at the ~2σ confidence level. The mass peak, however, does not lead the gas peak in the direction expected if we are viewing the cluster soon after first core passage during a high speed merger. Under the assumption that the merger is happening in the plane of the sky, extrapolation of the two NFW halos to a radius r_{200a}=2.4\\,h_{70}^{-1} Mpc yields a combined mass of M_{200a}=(3.13+/- 0.56)\\times 10^{15}\\,h_{70}^{-1}\\, M_{\\odot }. This extrapolated total mass is consistent with our two-component-based dynamical analysis and previous X-ray measurements, projecting ACT-CL J0102-4915 to be the most massive cluster at z > 0.6 known to date.
Global population structure and adaptive evolution of aflatoxin-producing fungi
USDA-ARS?s Scientific Manuscript database
We employed interspecific principal component analyses for six different categories (geography, species, precipitation, temperature, aflatoxin chemotype profile, and mating type) and inferred maximum likelihood phylogenies for six combined loci, including two aflatoxin cluster regions (aflM/alfN and...
Method of handling radioactive alkali metal waste
Wolson, Raymond D.; McPheeters, Charles C.
1980-01-01
Radioactive alkali metal is mixed with particulate silica in a rotary drum reactor in which the alkali metal is converted to the monoxide during rotation of the reactor to produce particulate silica coated with the alkali metal monoxide suitable as a feed material to make a glass for storing radioactive material. Silica particles, the majority of which pass through a 95 mesh screen or preferably through a 200 mesh screen, are employed in this process, and the preferred weight ratio of silica to alkali metal is 7 to 1 in order to produce a feed material for the final glass product having a silica to alkali metal monoxide ratio of about 5 to 1.
Method of handling radioactive alkali metal waste
Wolson, R.D.; McPheeters, C.C.
Radioactive alkali metal is mixed with particulate silica in a rotary drum reactor in which the alkali metal is converted to the monoxide during rotation of the reactor to produce particulate silica coated with the alkali metal monoxide suitable as a feed material to make a glass for storing radioactive material. Silica particles, the majority of which pass through a 95 mesh screen or preferably through a 200 mesh screen, are employed in this process, and the preferred weight ratio of silica to alkali metal is 7 to 1 in order to produce a feed material for the final glass product having a silica to alkali metal monoxide ratio of about 5 to 1.
Cluster observations of two separated cusp populations: double cusp or motion of the cusp?
NASA Astrophysics Data System (ADS)
Escoubet, C.-Philippe; Berchem, Jean; Trattner, Karlheinz; Pitout, Frederic; Richard, Robert; Taylor, Matt; Soucek, Jan; Grison, Benjamin; Laakso, Harri; Masson, Arnaud; Dunlop, Malcolm; Dandouras, Iannis; Reme, Henri; Fazakerley, Andrew; Daly, Patrick
2013-04-01
Modelling plasma entry in the polar cusp has been successful in reproducing ion dispersions observed in the cusp at low and mid-altitudes. The use of a realistic convection pattern allowed Wing et al. (2001) to predict double cusp signatures that were subsequently observed by the DMSP spacecraft. In this paper, we present a cusp crossing where two cusp populations are observed, separated by a gap around 1° ILAT wide. Cluster 1 (C1) and Cluster 2 (C2) observed these two cusp populations with a time delay of three minutes and about 15 and 42 minutes later, Cluster 4 (C4) and Cluster 3 (C3) observed, respectively, a single cusp population. A peculiarity of this event is the fact that the second cusp population seen on C1 and C2 was observed at the same time as the first cusp population on C4. This would tend to suggest that the two cusp populations were spatial features similar to the double cusp. Due to the nested crossing of C1 and C2 through the gap between the two cusp encounters, C2 being first to leave the cusp and last to re-enter it, these observations cannot be explained by two stable cusps with a gap of precipitation in between. On the other hand these observations are in agreement with a motion of the cusp first dawnward and then back duskward due to the effect of the IMF-By component.
Effects of copper ions on the characteristics of egg white gel induced by strong alkali.
Shao, Yaoyao; Zhao, Yan; Xu, Mingsheng; Chen, Zhangyi; Wang, Shuzhen; Tu, Yonggang
2017-09-01
This study investigated the effects of copper ions on egg white (EW) gel induced by strong alkali. Changes in gel characteristics were examined through texture profile analysis, scanning electron microscopy (SEM), and chemical methods. The value of gel strength reached its maximum when 0.1% copper ions was added. However, the lowest cohesiveness values were observed at 0.1%. The springiness of gel without copper ions was significantly greater than the gel with copper ions added. SEM results illustrated that the low concentration of copper ions contributes to a dense and uniform gel network, and an open matrix was formed at 0.4%. The free and total sulphhydryl group content in the egg white protein gel significantly decreased with the increased copper. The increase of copper ions left the contents of ionic and hydrogen bonds basically unchanged, hydrophobic interaction presented an increasing trend, and the disulfide bond exhibited a completely opposite change. The change of surface hydrophobicity proved that the main binding force of copper induced gel was hydrophobic interaction. However, copper ions had no effect on the protein component of the gels. Generally, a low level of copper ions facilitates protein-protein association, which is involved in the characteristics of gels. Instead, high ionic strength had a negative effect on gels induced by strong alkali. © 2017 Poultry Science Association Inc.
ERIC Educational Resources Information Center
Bonnesen, C. T.; Plauborg, R.; Denbaek, A. M.; Due, P.; Johansen, A.
2015-01-01
The Hi Five study was a three-armed cluster randomized controlled trial designed to reduce infections and improve hygiene and well-being among pupils. Participating schools (n = 43) were randomized into either control (n = 15) or one of two intervention groups (n = 28). The intervention consisted of three components: (i) a curriculum (ii)…
Unsupervised spike sorting based on discriminative subspace learning.
Keshtkaran, Mohammad Reza; Yang, Zhi
2014-01-01
Spike sorting is a fundamental preprocessing step for many neuroscience studies which rely on the analysis of spike trains. In this paper, we present two unsupervised spike sorting algorithms based on discriminative subspace learning. The first algorithm simultaneously learns the discriminative feature subspace and performs clustering. It uses histogram of features in the most discriminative projection to detect the number of neurons. The second algorithm performs hierarchical divisive clustering that learns a discriminative 1-dimensional subspace for clustering in each level of the hierarchy until achieving almost unimodal distribution in the subspace. The algorithms are tested on synthetic and in-vivo data, and are compared against two widely used spike sorting methods. The comparative results demonstrate that our spike sorting methods can achieve substantially higher accuracy in lower dimensional feature space, and they are highly robust to noise. Moreover, they provide significantly better cluster separability in the learned subspace than in the subspace obtained by principal component analysis or wavelet transform.
Cluster Analysis to Identify Possible Subgroups in Tinnitus Patients.
van den Berge, Minke J C; Free, Rolien H; Arnold, Rosemarie; de Kleine, Emile; Hofman, Rutger; van Dijk, J Marc C; van Dijk, Pim
2017-01-01
In tinnitus treatment, there is a tendency to shift from a "one size fits all" to a more individual, patient-tailored approach. Insight in the heterogeneity of the tinnitus spectrum might improve the management of tinnitus patients in terms of choice of treatment and identification of patients with severe mental distress. The goal of this study was to identify subgroups in a large group of tinnitus patients. Data were collected from patients with severe tinnitus complaints visiting our tertiary referral tinnitus care group at the University Medical Center Groningen. Patient-reported and physician-reported variables were collected during their visit to our clinic. Cluster analyses were used to characterize subgroups. For the selection of the right variables to enter in the cluster analysis, two approaches were used: (1) variable reduction with principle component analysis and (2) variable selection based on expert opinion. Various variables of 1,783 tinnitus patients were included in the analyses. Cluster analysis (1) included 976 patients and resulted in a four-cluster solution. The effect of external influences was the most discriminative between the groups, or clusters, of patients. The "silhouette measure" of the cluster outcome was low (0.2), indicating a "no substantial" cluster structure. Cluster analysis (2) included 761 patients and resulted in a three-cluster solution, comparable to the first analysis. Again, a "no substantial" cluster structure was found (0.2). Two cluster analyses on a large database of tinnitus patients revealed that clusters of patients are mostly formed by a different response of external influences on their disease. However, both cluster outcomes based on this dataset showed a poor stability, suggesting that our tinnitus population comprises a continuum rather than a number of clearly defined subgroups.
Characterization of spatial and temporal variability in hydrochemistry of Johor Straits, Malaysia.
Abdullah, Pauzi; Abdullah, Sharifah Mastura Syed; Jaafar, Othman; Mahmud, Mastura; Khalik, Wan Mohd Afiq Wan Mohd
2015-12-15
Characterization of hydrochemistry changes in Johor Straits within 5 years of monitoring works was successfully carried out. Water quality data sets (27 stations and 19 parameters) collected in this area were interpreted subject to multivariate statistical analysis. Cluster analysis grouped all the stations into four clusters ((Dlink/Dmax) × 100<90) and two clusters ((Dlink/Dmax) × 100<80) for site and period similarities. Principal component analysis rendered six significant components (eigenvalue>1) that explained 82.6% of the total variance of the data set. Classification matrix of discriminant analysis assigned 88.9-92.6% and 83.3-100% correctness in spatial and temporal variability, respectively. Times series analysis then confirmed that only four parameters were not significant over time change. Therefore, it is imperative that the environmental impact of reclamation and dredging works, municipal or industrial discharge, marine aquaculture and shipping activities in this area be effectively controlled and managed. Copyright © 2015 Elsevier Ltd. All rights reserved.
40 CFR 721.5985 - Fatty alkyl phosphate, alkali metal salt (generic).
Code of Federal Regulations, 2010 CFR
2010-07-01
... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Fatty alkyl phosphate, alkali metal... Specific Chemical Substances § 721.5985 Fatty alkyl phosphate, alkali metal salt (generic). (a) Chemical... as a fatty alkyl phosphate, alkali metal salt (PMN P-99-0385) is subject to reporting under this...
40 CFR 721.5985 - Fatty alkyl phosphate, alkali metal salt (generic).
Code of Federal Regulations, 2011 CFR
2011-07-01
... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Fatty alkyl phosphate, alkali metal... Specific Chemical Substances § 721.5985 Fatty alkyl phosphate, alkali metal salt (generic). (a) Chemical... as a fatty alkyl phosphate, alkali metal salt (PMN P-99-0385) is subject to reporting under this...
40 CFR 721.4660 - Alcohol, alkali metal salt.
Code of Federal Regulations, 2011 CFR
2011-07-01
... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Alcohol, alkali metal salt. 721.4660... Substances § 721.4660 Alcohol, alkali metal salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance generically identified as alcohol, alkali metal salt (PMN P-91-151) is...
Structure of xanthan gum and cell ultrastructure at different times of alkali stress
de Mello Luvielmo, Márcia; Borges, Caroline Dellinghausen; de Oliveira Toyama, Daniela; Vendruscolo, Claire Tondo; Scamparini, Adilma Regina Pippa
2016-01-01
The effect of alkali stress on the yield, viscosity, gum structure, and cell ultrastructure of xanthan gum was evaluated at the end of fermentation process of xanthan production by Xanthomonas campestris pv. manihotis 280-95. Although greater xanthan production was observed after a 24 h-alkali stress process, a lower viscosity was observed when compared to the alkali stress-free gum, regardless of the alkali stress time. However, this outcome is not conclusive as further studies on gum purification are required to remove excess sodium, verify the efficiency loss and the consequent increase in the polymer viscosity. Alkali stress altered the structure of xanthan gum from a polygon-like shape to a star-like form. At the end of the fermentation, early structural changes in the bacterium were observed. After alkali stress, marked structural differences were observed in the cells. A more vacuolated cytoplasm and discontinuities in the membrane cells evidenced the cell lysis. Xanthan was observed in the form of concentric circles instead of agglomerates as observed prior to the alkali stress. PMID:26887232
NASA Astrophysics Data System (ADS)
Yamashita, S.; Nakajo, T.; Naruse, H.
2009-12-01
In this study, we statistically classified the grain size distribution of the bottom surface sediment on a microtidal sand flat to analyze the depositional processes of the sediment. Multiple classification analysis revealed that two types of sediment populations exist in the bottom surface sediment. Then, we employed the sediment trend model developed by Gao and Collins (1992) for the estimation of sediment transport pathways. As a result, we found that statistical discrimination of the bottom surface sediment provides useful information for the sediment trend model while dealing with various types of sediment transport processes. The microtidal sand flat along the Kushida River estuary, Ise Bay, central Japan, was investigated, and 102 bottom surface sediment samples were obtained. Then, their grain size distribution patterns were measured by the settling tube method, and each grain size distribution parameter (mud and gravel contents, mean grain size, coefficient of variance (CV), skewness, kurtosis, 5, 25, 50, 75, and 95 percentile) was calculated. Here, CV is the normalized sorting value divided by the mean grain size. Two classical statistical methods—principal component analysis (PCA) and fuzzy cluster analysis—were applied. The results of PCA showed that the bottom surface sediment of the study area is mainly characterized by grain size (mean grain size and 5-95 percentile) and the CV value, indicating predominantly large absolute values of factor loadings in primal component (PC) 1. PC1 is interpreted as being indicative of the grain-size trend, in which a finer grain-size distribution indicates better size sorting. The frequency distribution of PC1 has a bimodal shape and suggests the existence of two types of sediment populations. Therefore, we applied fuzzy cluster analysis, the results of which revealed two groupings of the sediment (Cluster 1 and Cluster 2). Cluster 1 shows a lower value of PC1, indicating coarse and poorly sorted sediments. Cluster 1 sediments are distributed around the branched channel from Kushida River and show an expanding distribution from the river mouth toward the northeast direction. Cluster 2 shows a higher value of PC1, indicating fine and well-sorted sediments; this cluster is distributed in a distant area from the river mouth, including the offshore region. Therefore, Cluster 1 and Cluster 2 are interpreted as being deposited by fluvial and wave processes, respectively. Finally, on the basis of this distribution pattern, the sediment trend model was applied in areas dominated separately by fluvial and wave processes. Resultant sediment transport patterns showed good agreement with those obtained by field observations. The results of this study provide an important insight into the numerical models of sediment transport.
Li, Chun-Hong; Zuo, Hua-Li; Zhang, Qian; Wang, Feng-Qin; Hu, Yuan-Jia; Qian, Zheng-Ming; Li, Wen-Jia; Xia, Zhi-Ning; Yang, Feng-Qing
2017-01-01
Background: As one of the bioactive components in Cordyceps sinensis (CS), proteins were rarely used as index components to study the correlation between the protein components and producing areas of natural CS. Objective: Protein components of 26 natural CS samples produced in Qinghai, Tibet, and Sichuan provinces were analyzed and compared to investigate the relationship among 26 different producing areas. Materials and Methods: Proteins from 26 different producing areas were extracted by Tris-HCl buffer with Triton X-100, and separated using sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and two-dimensional electrophoresis (2-DE). Results: The SDS-PAGE results indicated that the number of protein bands and optical density curves of proteins in 26 CS samples was a bit different. However, the 2-DE results showed that the numbers and abundance of protein spots in protein profiles of 26 samples were obviously different and showed certain association with producing areas. Conclusions: Based on the expression values of matched protein spots, 26 batches of CS samples can be divided into two main categories (Tibet and Qinghai) by hierarchical cluster analysis. SUMMARY The number of protein bands and optical density curves of proteins in 26 Cordyceps sinensis samples were a bit different on the sodium dodecyl sulfate-polyacrylamide gel electrophoresis protein profilesNumbers and abundance of protein spots in protein profiles of 26 samples were obvious different on two-dimensional electrophoresis mapsTwenty-six different producing areas of natural Cordyceps sinensis samples were divided into two main categories (Tibet and Qinghai) by Hierarchical cluster analysis based on the values of matched protein spots. Abbreviations Used: SDS-PAGE: Sodium dodecyl sulfate polyacrylamide gel electrophoresis, 2-DE: Two-dimensional electrophoresis, Cordyceps sinensis: CS, TCMs: Traditional Chinese medicines PMID:28250651
Li, Chun-Hong; Zuo, Hua-Li; Zhang, Qian; Wang, Feng-Qin; Hu, Yuan-Jia; Qian, Zheng-Ming; Li, Wen-Jia; Xia, Zhi-Ning; Yang, Feng-Qing
2017-01-01
As one of the bioactive components in Cordyceps sinensis (CS), proteins were rarely used as index components to study the correlation between the protein components and producing areas of natural CS. Protein components of 26 natural CS samples produced in Qinghai, Tibet, and Sichuan provinces were analyzed and compared to investigate the relationship among 26 different producing areas. Proteins from 26 different producing areas were extracted by Tris-HCl buffer with Triton X-100, and separated using sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and two-dimensional electrophoresis (2-DE). The SDS-PAGE results indicated that the number of protein bands and optical density curves of proteins in 26 CS samples was a bit different. However, the 2-DE results showed that the numbers and abundance of protein spots in protein profiles of 26 samples were obviously different and showed certain association with producing areas. Based on the expression values of matched protein spots, 26 batches of CS samples can be divided into two main categories (Tibet and Qinghai) by hierarchical cluster analysis. The number of protein bands and optical density curves of proteins in 26 Cordyceps sinensis samples were a bit different on the sodium dodecyl sulfate-polyacrylamide gel electrophoresis protein profilesNumbers and abundance of protein spots in protein profiles of 26 samples were obvious different on two-dimensional electrophoresis mapsTwenty-six different producing areas of natural Cordyceps sinensis samples were divided into two main categories (Tibet and Qinghai) by Hierarchical cluster analysis based on the values of matched protein spots. Abbreviations Used : SDS-PAGE: Sodium dodecyl sulfate polyacrylamide gel electrophoresis, 2-DE: Two-dimensional electrophoresis, Cordyceps sinensis : CS, TCMs: Traditional Chinese medicines.
Smetana, Volodymyr; Steinberg, Simon; Mudring, Anja-Verena
2016-12-27
Gold intermetallics are known for their unusual structures and bonding patterns. Two new compounds have been discovered in the cation-poor part of the Cs–Au–Ga system. We obtained both compounds directly by heating the elements at elevated temperatures. Structure determinations based on single-crystal X-ray diffraction analyses revealed two structurally and compositionally related formations: CsAu 1.4Ga 2.8 (I) and CsAu 2Ga 2.6 (II) crystallize in their own structure types (I: Rmore » $$\\bar{3}$$, a = 11.160(2) Å, c = 21.706(4) Å, Z = 18; II: R$$\\bar{3}$$, a = 11.106(1) Å, Å, c = 77.243(9) Å, Z = 54) and contain hexagonal cationic layers of cesium. Furthermore, this is a unique structural motif, which has never been observed for the other (lighter) alkali metals in combination with Au and post transition elements. The polyanionic part is characterized in contrast by Au/Ga tetrahedral stars, a structural feature that is characteristic for light alkali metal representatives, and disordered sites with mixed Au/Ga occupancies that occur in both structures with a more significant disorder in the polyanionic component of CsAu 2Ga 2.6. Examinations of the electronic band structure for a model approximating the composition of CsAu 1.4Ga 2.8 have been completed using density-functional-theory-based methods and reveal a deep pseudogap at E F. Bonding analysis by evaluating the crystal orbital Hamilton populations show dominant heteroatomic Au–Ga bonds and only a negligible contribution from Cs pairs.« less
Hidaka, Tomoo; Hayakawa, Takehito; Kakamu, Takeyasu; Kumagai, Tomohiro; Hiruta, Yuhei; Hata, Junko; Tsuji, Masayoshi; Fukushima, Tetsuhito
2016-01-01
The present study was a cross-sectional study conducted to reveal the prevalence of metabolic syndrome and its components and describe the features of such prevalence among Japanese workers by clustered business category using big data. The data of approximately 120,000 workers were obtained from a national representative insurance organization, and the study analyzed the health checkup and questionnaire results according to the field of business of each subject. Abnormalities found during the checkups such as excessive waist circumference, hypertension or glucose intolerance, and metabolic syndrome, were recorded. All subjects were classified by business field into 18 categories based on The North American Industry Classification System. Based on the criteria of the Japanese Committee for the Diagnostic Criteria of Metabolic Syndrome, the standardized prevalence ratio (SPR) of metabolic syndrome and its components by business category was calculated, and the 95% confidence interval of the SPR was computed. Hierarchical cluster analysis was then performed based on the SPR of metabolic syndrome components, and the 18 business categories were classified into three clusters for both males and females. The following business categories were at significantly high risk of metabolic syndrome: among males, Construction, Transportation, Professional Services, and Cooperative Association; and among females, Health Care and Cooperative Association. The results of the cluster analysis indicated one cluster for each gender with a higher prevalence of metabolic syndrome components; among males, a cluster consisting of Manufacturing, Transportation, Finance, and Cooperative Association, and among females, a cluster consisting of Mining, Transportation, Finance, Accommodation, and Cooperative Association. These findings reveal that, when providing health guidance and support regarding metabolic syndrome, consideration must be given to its components and the variety of its prevalence rates by business category and gender.
Hidaka, Tomoo; Hayakawa, Takehito; Kakamu, Takeyasu; Kumagai, Tomohiro; Hiruta, Yuhei; Hata, Junko; Tsuji, Masayoshi; Fukushima, Tetsuhito
2016-01-01
The present study was a cross-sectional study conducted to reveal the prevalence of metabolic syndrome and its components and describe the features of such prevalence among Japanese workers by clustered business category using big data. The data of approximately 120,000 workers were obtained from a national representative insurance organization, and the study analyzed the health checkup and questionnaire results according to the field of business of each subject. Abnormalities found during the checkups such as excessive waist circumference, hypertension or glucose intolerance, and metabolic syndrome, were recorded. All subjects were classified by business field into 18 categories based on The North American Industry Classification System. Based on the criteria of the Japanese Committee for the Diagnostic Criteria of Metabolic Syndrome, the standardized prevalence ratio (SPR) of metabolic syndrome and its components by business category was calculated, and the 95% confidence interval of the SPR was computed. Hierarchical cluster analysis was then performed based on the SPR of metabolic syndrome components, and the 18 business categories were classified into three clusters for both males and females. The following business categories were at significantly high risk of metabolic syndrome: among males, Construction, Transportation, Professional Services, and Cooperative Association; and among females, Health Care and Cooperative Association. The results of the cluster analysis indicated one cluster for each gender with a higher prevalence of metabolic syndrome components; among males, a cluster consisting of Manufacturing, Transportation, Finance, and Cooperative Association, and among females, a cluster consisting of Mining, Transportation, Finance, Accommodation, and Cooperative Association. These findings reveal that, when providing health guidance and support regarding metabolic syndrome, consideration must be given to its components and the variety of its prevalence rates by business category and gender. PMID:27082961
Clustering execution in a processing system to increase power savings
Bose, Pradip; Buyuktosunoglu, Alper; Jacobson, Hans M.; Vega, Augusto J.
2018-03-20
Embodiments relate to clustering execution in a processing system. An aspect includes accessing a control flow graph that defines a data dependency and an execution sequence of a plurality of tasks of an application that executes on a plurality of system components. The execution sequence of the tasks in the control flow graph is modified as a clustered control flow graph that clusters active and idle phases of a system component while maintaining the data dependency. The clustered control flow graph is sent to an operating system, where the operating system utilizes the clustered control flow graph for scheduling the tasks.
NASA Astrophysics Data System (ADS)
Fukui, Yasuo; Torii, Kazufumi; Hattori, Yusuke; Nishimura, Atsushi; Ohama, Akio; Shimajiri, Yoshito; Shima, Kazuhiro; Habe, Asao; Sano, Hidetoshi; Kohno, Mikito; Yamamoto, Hiroaki; Tachihara, Kengo; Onishi, Toshikazu
2018-06-01
The Orion Nebula Cluster toward the H II region M42 is the most outstanding young cluster at the smallest distance (410 pc) among the rich high-mass stellar clusters. By newly analyzing the archival molecular data of the 12CO(J = 1–0) emission at 21″ resolution, we identified at least three pairs of complementary distributions between two velocity components at 8 and 13 km s‑1. We present a hypothesis that the two clouds collided with each other and triggered formation of the high-mass stars, mainly toward two regions including the nearly 10 O stars in M42 and the B star, NU Ori, in M43. The timescale of the collision is estimated to be ∼0.1 Myr by a ratio of the cloud size and velocity corrected for projection, which is consistent with the age of the youngest cluster members less than 0.1 Myr. The majority of the low-mass cluster members were formed prior to the collision in the last Myr. We discuss the implications of the present hypothesis and the scenario of high-mass star formation by comparing with the other eight cases of triggered O-star formation via cloud–cloud collision.
Buried landmine detection using multivariate normal clustering
NASA Astrophysics Data System (ADS)
Duston, Brian M.
2001-10-01
A Bayesian classification algorithm is presented for discriminating buried land mines from buried and surface clutter in Ground Penetrating Radar (GPR) signals. This algorithm is based on multivariate normal (MVN) clustering, where feature vectors are used to identify populations (clusters) of mines and clutter objects. The features are extracted from two-dimensional images created from ground penetrating radar scans. MVN clustering is used to determine the number of clusters in the data and to create probability density models for target and clutter populations, producing the MVN clustering classifier (MVNCC). The Bayesian Information Criteria (BIC) is used to evaluate each model to determine the number of clusters in the data. An extension of the MVNCC allows the model to adapt to local clutter distributions by treating each of the MVN cluster components as a Poisson process and adaptively estimating the intensity parameters. The algorithm is developed using data collected by the Mine Hunter/Killer Close-In Detector (MH/K CID) at prepared mine lanes. The Mine Hunter/Killer is a prototype mine detecting and neutralizing vehicle developed for the U.S. Army to clear roads of anti-tank mines.